#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 3.30 -0.23 1.61 0.08 0.95 -4.61 117.98 119.08 1smk s PHE 45 Ca 0.00 0.12 -0.11 0.00 0.12 0.00 0.00 56.93 57.07 1smk s PHE 45 Cb 0.00 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.75 1smk s PHE 45 CO 0.00 0.54 0.16 0.15 -0.10 0.00 0.00 175.22 175.97 1smk s LYS 46 N -2.55 4.10 0.03 0.44 1.02 -1.26 0.01 119.74 121.54 1smk s LYS 46 Ca 0.31 -0.24 0.06 0.00 0.02 0.00 0.00 55.97 56.12 1smk s LYS 46 Cb -0.12 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 1smk s LYS 46 CO 0.24 0.11 -0.17 0.08 -0.92 0.00 0.00 175.35 174.70 1smk s VAL 47 N 0.90 1.36 -0.04 3.17 1.01 0.10 -0.55 120.40 126.36 1smk s VAL 47 Ca 0.08 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1smk s VAL 47 Cb -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1smk s VAL 47 CO 0.03 0.17 -0.12 0.00 0.00 0.00 0.00 175.10 175.18 1smk s ALA 48 N -0.70 1.12 -0.27 5.51 0.00 -0.36 0.40 121.76 127.47 1smk s ALA 48 Ca 0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 1smk s ALA 48 Cb -0.08 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1smk s ALA 48 CO 0.01 0.18 0.00 0.42 0.00 0.00 0.00 175.76 176.37 1smk s ILE 49 N 0.21 3.41 -0.44 0.00 1.01 -0.08 -0.53 121.20 124.78 1smk s ILE 49 Ca -0.05 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.59 1smk s ILE 49 Cb -0.10 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.66 1smk s ILE 49 CO 0.01 0.17 0.58 -0.76 0.00 0.00 0.00 174.94 174.94 1smk s LEU 50 N 1.42 4.68 0.00 2.97 1.43 0.02 -1.56 118.68 127.64 1smk s LEU 50 Ca 0.02 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1smk s LEU 50 Cb -0.17 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1smk s LEU 50 CO -0.01 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.44 1smk n GLY 51 N 5.08 1.19 0.00 -3.19 0.00 0.17 -1.92 105.19 106.51 1smk n GLY 51 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1smk n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smk n ALA 52 N -0.15 1.62 0.15 4.61 0.00 -0.59 -2.92 120.51 123.23 1smk n ALA 52 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1smk n ALA 52 Cb 0.00 -1.22 0.21 0.00 0.00 0.00 0.00 19.45 18.44 1smk n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smk n ALA 53 N -1.49 2.39 -2.27 0.00 0.00 -1.26 -2.35 120.51 115.54 1smk n ALA 53 Ca 0.03 -1.03 -0.19 0.00 0.00 0.00 0.00 53.44 52.25 1smk n ALA 53 Cb 0.15 -0.79 0.13 0.00 0.00 0.00 0.00 19.45 18.95 1smk n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 54 N 1.35 -0.14 0.20 0.00 0.00 -1.15 -4.72 105.19 100.73 1smk n GLY 54 Ca 0.18 -1.90 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 1smk n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1smk h GLY 55 N -0.89 0.54 0.20 -0.02 0.00 -1.94 -1.47 103.07 99.49 1smk h GLY 55 Ca -0.32 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1smk h GLY 55 CO 0.29 -0.13 -0.04 -2.22 0.00 0.00 0.00 176.54 174.44 1smk h ILE 56 N 0.14 1.65 -0.81 2.60 2.04 -1.87 -3.37 117.51 117.89 1smk h ILE 56 Ca 0.25 -1.97 0.18 0.00 1.00 0.00 0.00 64.86 64.32 1smk h ILE 56 Cb 0.38 2.98 -0.15 0.00 -0.74 0.00 0.00 36.82 39.29 1smk h ILE 56 CO -0.40 0.52 -0.07 1.23 0.00 0.00 0.00 178.15 179.43 1smk h GLY 57 N -0.79 0.81 0.76 5.37 0.00 -1.61 -1.36 103.07 106.24 1smk h GLY 57 Ca -0.01 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1smk h GLY 57 CO 0.01 -0.33 -0.16 1.46 0.00 0.00 0.00 176.54 177.52 1smk h GLN 58 N 0.05 -0.43 -0.25 4.80 4.20 -0.88 0.33 115.11 122.94 1smk h GLN 58 Ca 0.43 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.13 1smk h GLN 58 Cb 0.75 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1smk h GLN 58 CO -0.77 -0.15 -0.03 -1.00 -0.67 0.00 0.00 178.83 176.22 1smk h PRO 59 N -0.70 0.38 -0.36 1.46 0.13 -1.70 -0.10 132.00 131.11 1smk h PRO 59 Ca -0.05 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1smk h PRO 59 Cb 0.48 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1smk h PRO 59 CO 0.07 0.43 0.16 1.25 -0.23 0.00 0.00 178.00 179.69 1smk h LEU 60 N 0.37 0.48 -0.74 1.56 5.85 -1.11 0.11 115.31 121.82 1smk h LEU 60 Ca 0.08 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1smk h LEU 60 Cb 0.30 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1smk h LEU 60 CO 0.01 0.49 0.42 0.00 -0.34 0.00 0.00 178.44 179.02 1smk h ALA 61 N 1.01 0.95 0.12 1.25 0.00 0.45 0.17 119.26 123.21 1smk h ALA 61 Ca 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1smk h ALA 61 Cb 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1smk h ALA 61 CO -0.01 0.45 -0.07 1.98 0.00 0.00 0.00 179.25 181.60 1smk h MET 62 N 1.02 -0.18 -0.95 0.00 1.85 -0.50 -0.11 114.93 116.06 1smk h MET 62 Ca 0.26 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.37 1smk h MET 62 Cb 0.02 0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.04 1smk h MET 62 CO -0.04 -0.12 0.61 -0.07 -0.40 0.00 0.00 176.91 176.88 1smk h LEU 63 N -0.18 1.11 -1.14 3.39 3.38 -0.58 -2.00 115.31 119.28 1smk h LEU 63 Ca -0.01 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1smk h LEU 63 Cb 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1smk h LEU 63 CO 0.01 0.82 0.17 0.24 0.09 0.00 0.00 178.44 179.77 1smk h MET 64 N 1.29 0.77 -0.16 1.13 2.86 -0.26 -1.65 114.93 118.90 1smk h MET 64 Ca 0.34 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1smk h MET 64 Cb -0.11 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 1smk h MET 64 CO -0.07 0.67 -0.01 -0.22 1.06 0.00 0.00 176.91 178.34 1smk h LYS 65 N 0.75 0.23 0.00 1.72 1.63 -0.28 -2.22 116.57 118.40 1smk h LYS 65 Ca 0.17 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1smk h LYS 65 Cb 0.22 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1smk h LYS 65 CO -0.01 0.26 -0.04 0.52 -3.45 0.00 0.00 179.45 176.73 1smk h MET 66 N 0.23 0.00 -6.25 1.90 2.86 -0.97 -3.38 114.93 109.31 1smk h MET 66 Ca 0.06 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.14 1smk h MET 66 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1smk h MET 66 CO 0.00 0.00 1.16 1.21 1.06 0.00 0.00 176.91 180.35 1smk s ASN 67 N -5.88 6.38 0.64 1.22 3.84 -0.84 -4.88 114.94 115.43 1smk s ASN 67 Ca 0.07 1.94 0.41 0.00 0.21 0.00 0.00 52.86 55.50 1smk s ASN 67 Cb 0.06 -2.53 2.21 0.00 -0.55 0.00 0.00 41.25 40.44 1smk s ASN 67 CO 0.66 -1.21 2.30 1.55 -2.79 0.00 0.00 177.10 177.62 1smk h PRO 68 N 10.78 0.00 0.00 0.43 0.13 -1.87 -2.27 132.00 139.19 1smk h PRO 68 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1smk h PRO 68 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1smk h PRO 68 CO 0.98 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 180.03 1smk n LEU 69 N -3.16 0.03 -4.61 1.56 4.77 -1.26 -4.74 117.00 109.58 1smk n LEU 69 Ca -0.02 0.50 -0.39 0.00 -0.03 0.00 0.00 56.01 56.07 1smk n LEU 69 Cb 0.11 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1smk n LEU 69 CO 0.22 -0.06 0.08 -0.69 -1.33 0.00 0.00 177.39 175.61 1smk s VAL 70 N -3.00 5.17 -0.19 4.08 1.01 -0.86 -0.04 120.40 126.57 1smk s VAL 70 Ca 0.12 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 1smk s VAL 70 Cb 0.17 -3.71 -0.21 0.00 0.00 0.00 0.00 36.38 32.63 1smk s VAL 70 CO 0.48 0.15 0.09 -1.54 0.00 0.00 0.00 175.10 174.28 1smk n SER 71 N 5.34 2.04 -4.10 3.32 3.41 0.10 -3.27 113.62 120.46 1smk n SER 71 Ca -0.08 0.11 -0.28 0.00 -0.26 0.00 0.00 58.87 58.37 1smk n SER 71 Cb 0.51 -0.71 -0.17 0.00 -0.26 0.00 0.00 64.21 63.58 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 -2.52 1.52 -0.16 -3.33 1.01 -1.10 -1.06 120.40 114.75 1smk s VAL 72 Ca -0.29 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1smk s VAL 72 Cb 0.08 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.14 1smk s VAL 72 CO 0.68 0.44 -0.13 -0.22 0.00 0.00 0.00 175.10 175.86 1smk s LEU 73 N 0.53 1.77 -0.21 3.92 2.96 0.66 0.02 118.68 128.32 1smk s LEU 73 Ca -0.16 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.13 1smk s LEU 73 Cb -0.17 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 1smk s LEU 73 CO 0.06 -0.08 0.02 -1.00 -1.32 0.00 0.00 176.35 174.03 1smk s HIS 74 N 1.48 3.06 -0.24 5.38 3.76 0.16 -1.52 115.29 127.37 1smk s HIS 74 Ca 0.04 -0.45 -0.08 0.00 -0.15 0.00 0.00 55.06 54.42 1smk s HIS 74 Cb -0.13 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 1smk s HIS 74 CO -0.10 -0.27 0.08 -0.51 -0.85 0.00 0.00 174.74 173.09 1smk s LEU 75 N 1.17 3.56 -0.01 0.89 1.43 0.28 -0.90 118.68 125.09 1smk s LEU 75 Ca 0.03 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1smk s LEU 75 Cb -0.14 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1smk s LEU 75 CO 0.02 -0.01 -0.16 -0.47 0.23 0.00 0.00 176.35 175.97 1smk s TYR 76 N 1.45 1.40 0.18 0.29 6.14 -0.60 0.30 117.35 126.51 1smk s TYR 76 Ca 0.06 -0.27 -0.24 0.00 0.64 0.00 0.00 57.07 57.26 1smk s TYR 76 Cb -0.15 -0.90 0.07 0.00 0.42 0.00 0.00 41.96 41.40 1smk s TYR 76 CO 0.04 -0.03 0.97 0.34 0.64 0.00 0.00 175.55 177.51 1smk s ASP 77 N -0.36 -0.12 0.00 4.32 -1.08 -0.83 0.44 116.67 119.03 1smk s ASP 77 Ca 0.06 -0.52 0.25 0.00 -0.52 0.00 0.00 52.55 51.81 1smk s ASP 77 Cb -0.06 0.52 0.37 0.00 -1.46 0.00 0.00 42.92 42.29 1smk s ASP 77 CO -0.01 -0.98 1.33 1.33 0.52 0.00 0.00 175.17 177.36 1smk n VAL 78 N -0.53 0.00 -3.73 1.11 0.24 -1.26 -1.26 118.33 112.90 1smk n VAL 78 Ca -0.05 -0.21 -0.14 0.00 -2.04 0.00 0.00 64.34 61.90 1smk n VAL 78 Cb 0.60 0.87 -0.09 0.00 -1.47 0.00 0.00 33.84 33.75 1smk n VAL 78 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1smk s VAL 79 N -2.44 0.03 -0.61 3.34 -7.23 -1.26 -4.59 120.40 107.64 1smk s VAL 79 Ca 0.22 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 1smk s VAL 79 Cb 0.19 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 36.49 1smk s VAL 79 CO 0.53 -0.13 0.00 0.59 -0.31 0.00 0.00 175.10 175.78 1smk n ASN 80 N 1.86 -4.14 -0.12 4.85 3.02 -1.26 -4.67 115.26 114.79 1smk n ASN 80 Ca -0.18 0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.42 1smk n ASN 80 Cb 0.57 -3.01 -0.01 0.00 -0.61 0.00 0.00 39.78 36.72 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 0.22 0.48 -0.66 5.41 0.00 -1.87 -2.22 119.26 120.62 1smk h ALA 81 Ca -0.12 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1smk h ALA 81 Cb 0.81 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1smk h ALA 81 CO 0.17 0.01 0.33 -1.35 0.00 0.00 0.00 179.25 178.42 1smk h PRO 82 N 0.48 0.58 0.61 0.00 0.11 -1.89 0.21 132.00 132.11 1smk h PRO 82 Ca 0.13 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1smk h PRO 82 Cb 0.07 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 1smk h PRO 82 CO -0.02 0.38 -0.36 0.78 -0.21 0.00 0.00 178.00 178.57 1smk h GLY 83 N 0.60 -0.99 0.71 -0.55 0.00 -1.91 0.14 103.07 101.07 1smk h GLY 83 Ca 0.31 0.40 0.12 0.00 0.00 0.00 0.00 47.33 48.17 1smk h GLY 83 CO -0.23 -0.35 0.53 -2.08 0.00 0.00 0.00 176.54 174.41 1smk h VAL 84 N -0.92 0.88 -0.25 4.60 2.07 -1.11 -1.11 116.25 120.41 1smk h VAL 84 Ca -0.08 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1smk h VAL 84 Cb 0.74 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1smk h VAL 84 CO 0.09 0.12 -0.19 0.74 0.02 0.00 0.00 177.57 178.35 1smk h THR 85 N 0.66 1.31 -0.57 2.57 2.02 -0.09 -1.02 112.91 117.79 1smk h THR 85 Ca 0.39 -1.33 0.03 0.00 0.77 0.00 0.00 66.41 66.28 1smk h THR 85 Cb 0.60 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 1smk h THR 85 CO -0.16 0.41 0.34 0.00 0.37 0.00 0.00 175.52 176.48 1smk h ALA 86 N 0.70 0.73 0.44 6.16 0.00 0.37 0.16 119.26 127.82 1smk h ALA 86 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1smk h ALA 86 Cb 0.73 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1smk h ALA 86 CO 0.05 0.05 -0.34 0.22 0.00 0.00 0.00 179.25 179.24 1smk h ASP 87 N 0.67 -0.89 -0.46 0.00 1.82 -1.11 -2.71 116.42 113.74 1smk h ASP 87 Ca 0.23 0.07 0.02 0.00 -0.39 0.00 0.00 57.03 56.96 1smk h ASP 87 Cb 0.04 0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 1smk h ASP 87 CO -0.11 -0.50 0.31 0.40 -1.61 0.00 0.00 179.24 177.73 1smk h ILE 88 N -0.77 1.08 0.00 2.25 1.08 -0.84 -2.59 117.51 117.72 1smk h ILE 88 Ca -0.04 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1smk h ILE 88 Cb 0.66 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1smk h ILE 88 CO -0.00 0.10 -0.02 0.77 -0.69 0.00 0.00 178.15 178.31 1smk h SER 89 N 0.56 0.00 1.55 1.72 4.64 -0.34 -2.42 113.55 119.25 1smk h SER 89 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1smk h SER 89 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1smk h SER 89 CO -0.04 0.02 0.00 0.45 -0.87 0.00 0.00 176.83 176.39 1smk h HIS 90 N 0.00 0.00 -2.79 4.77 3.86 -1.43 -3.45 115.15 116.11 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 0.05 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.56 1smk h HIS 90 CO 0.00 0.00 0.91 -1.64 0.86 0.00 0.00 177.93 178.06 1smk s MET 91 N -3.40 4.20 -1.55 2.45 1.00 -0.91 -4.89 119.30 116.20 1smk s MET 91 Ca 0.05 2.39 -0.11 0.00 0.00 0.00 0.00 55.69 58.02 1smk s MET 91 Cb 0.07 -3.19 -0.03 0.00 0.00 0.00 0.00 34.83 31.67 1smk s MET 91 CO 0.61 -0.64 2.71 -0.40 0.00 0.00 0.00 175.02 177.30 1smk n ASP 92 N 4.15 7.40 -4.65 3.03 5.75 -1.26 -4.90 116.55 126.06 1smk n ASP 92 Ca 0.14 -2.70 -0.29 0.00 -0.01 0.00 0.00 54.79 51.94 1smk n ASP 92 Cb 0.38 -1.57 -0.10 0.00 -1.03 0.00 0.00 41.12 38.80 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 2.12 1.81 0.15 2.12 -4.23 -1.26 -5.06 115.64 111.29 1smk s THR 93 Ca 0.62 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 58.98 1smk s THR 93 Cb 0.17 -2.81 0.02 0.00 1.34 0.00 0.00 72.50 71.22 1smk s THR 93 CO -0.07 0.00 1.76 1.23 -0.54 0.00 0.00 174.62 177.00 1smk h GLY 94 N 1.67 0.66 -4.61 3.99 0.00 -1.89 -3.44 103.07 99.43 1smk h GLY 94 Ca -0.44 -0.30 -0.57 0.00 0.00 0.00 0.00 47.33 46.03 1smk h GLY 94 CO 0.79 0.28 0.74 0.00 0.00 0.00 0.00 176.54 178.36 1smk n ALA 95 N -2.26 1.66 -2.71 3.60 0.00 -1.20 -4.92 120.51 114.68 1smk n ALA 95 Ca 0.01 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 1smk n ALA 95 Cb 0.08 -2.36 -0.08 0.00 0.00 0.00 0.00 19.45 17.09 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 0.21 5.37 0.05 0.00 1.01 -0.23 -4.92 120.40 121.89 1smk s VAL 96 Ca 0.69 0.28 0.05 0.00 0.00 0.00 0.00 61.98 63.01 1smk s VAL 96 Cb -0.60 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1smk s VAL 96 CO 0.46 0.39 -0.11 0.54 0.00 0.00 0.00 175.10 176.39 1smk s VAL 97 N 0.64 3.34 0.04 2.92 0.11 -1.26 -0.24 120.40 125.95 1smk s VAL 97 Ca 0.10 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1smk s VAL 97 Cb -0.12 -2.48 -0.02 0.00 -1.53 0.00 0.00 36.38 32.22 1smk s VAL 97 CO 0.01 0.29 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.89 1smk s ARG 98 N -1.68 0.45 0.13 1.54 0.52 -0.57 -4.94 118.95 114.40 1smk s ARG 98 Ca 0.18 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 1smk s ARG 98 Cb -0.11 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.24 1smk s ARG 98 CO 0.09 -0.01 -0.05 0.20 0.02 0.00 0.00 175.30 175.56 1smk s GLY 99 N -1.67 1.79 -0.04 -3.53 0.00 -1.26 -0.55 107.32 102.06 1smk s GLY 99 Ca -0.11 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.33 1smk s GLY 99 CO -0.01 -1.27 0.03 -1.36 0.00 0.00 0.00 173.10 170.48 1smk s PHE 100 N -1.45 0.21 -0.18 1.90 0.40 0.15 -4.91 117.98 114.10 1smk s PHE 100 Ca 0.25 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.67 1smk s PHE 100 Cb -0.10 -0.44 0.01 0.00 0.51 0.00 0.00 43.02 43.00 1smk s PHE 100 CO 0.16 -0.16 -0.18 -1.17 0.70 0.00 0.00 175.22 174.57 1smk s LEU 101 N 1.52 2.25 0.00 -0.37 2.96 -1.26 -1.97 118.68 121.81 1smk s LEU 101 Ca -0.03 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1smk s LEU 101 Cb -0.13 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.05 1smk s LEU 101 CO -0.03 0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 1smk n GLY 102 N 4.59 -1.21 0.44 7.98 0.00 -0.39 -4.35 105.19 112.25 1smk n GLY 102 Ca -0.20 -1.50 0.24 0.00 0.00 0.00 0.00 46.02 44.55 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 0.24 115.11 120.75 1smk h GLN 103 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1smk h GLN 103 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1smk h GLN 103 CO 0.00 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.18 1smk n GLN 104 N -3.67 0.49 0.00 1.69 0.00 -1.26 -2.97 117.38 111.65 1smk n GLN 104 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 57.00 57.17 1smk n GLN 104 Cb 0.90 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.64 1smk n GLN 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1smk n GLN 105 N -1.20 0.53 -0.11 2.61 6.02 0.85 -4.74 117.38 121.35 1smk n GLN 105 Ca 0.14 -0.78 -0.06 0.00 -0.01 0.00 0.00 57.00 56.29 1smk n GLN 105 Cb 0.16 -0.91 0.02 0.00 1.02 0.00 0.00 30.24 30.54 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 0.00 0.10 -1.00 1.08 5.85 -1.46 -1.15 115.31 118.74 1smk h LEU 106 Ca 0.00 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1smk h LEU 106 Cb 0.30 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 1smk h LEU 106 CO 0.00 0.09 0.64 -0.08 -0.34 0.00 0.00 178.44 178.75 1smk h GLU 107 N 0.26 1.09 -0.62 1.25 4.81 -1.85 0.05 114.58 119.56 1smk h GLU 107 Ca 0.17 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1smk h GLU 107 Cb 0.16 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1smk h GLU 107 CO -0.19 0.72 0.07 0.00 -0.73 0.00 0.00 179.01 178.88 1smk h ALA 108 N 1.47 0.83 -0.12 2.92 0.00 -1.65 -0.24 119.26 122.47 1smk h ALA 108 Ca 0.45 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1smk h ALA 108 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1smk h ALA 108 CO -0.20 0.62 -0.50 0.00 0.00 0.00 0.00 179.25 179.16 1smk h ALA 109 N 1.01 0.91 0.13 0.00 0.00 -0.27 -3.34 119.26 117.70 1smk h ALA 109 Ca 0.18 -0.48 -0.31 0.00 0.00 0.00 0.00 54.91 54.30 1smk h ALA 109 Cb 0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1smk h ALA 109 CO 0.02 0.67 -1.55 -0.07 0.00 0.00 0.00 179.25 178.32 1smk h LEU 110 N 0.26 0.42 -9.34 0.00 3.38 -0.73 -3.45 115.31 105.85 1smk h LEU 110 Ca 0.01 -0.58 -0.59 0.00 0.09 0.00 0.00 57.88 56.82 1smk h LEU 110 Cb 0.98 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.62 1smk h LEU 110 CO 0.08 1.48 1.10 0.41 0.09 0.00 0.00 178.44 181.61 1smk n THR 111 N -3.47 0.54 -0.77 0.22 -1.04 -0.13 -2.08 114.28 107.56 1smk n THR 111 Ca -0.17 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1smk n THR 111 Cb 1.05 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 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 4.32 0.65 3.77 3.41 0.00 -1.26 -5.02 105.19 111.05 1smk n GLY 112 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.23 4.67 -0.06 1.61 1.00 -0.88 -4.82 119.30 120.59 1smk s MET 113 Ca 0.00 1.32 0.05 0.00 0.00 0.00 0.00 55.69 57.06 1smk s MET 113 Cb 0.00 -3.12 -0.24 0.00 0.00 0.00 0.00 34.83 31.47 1smk s MET 113 CO 0.00 0.46 0.61 -0.44 0.00 0.00 0.00 175.02 175.65 1smk h ASP 114 N 3.88 0.17 -3.61 3.03 3.32 -1.18 -3.39 116.42 118.63 1smk h ASP 114 Ca -0.46 -0.35 -0.37 0.00 0.02 0.00 0.00 57.03 55.87 1smk h ASP 114 Cb 1.20 -0.05 -0.32 0.00 0.22 0.00 0.00 39.33 40.37 1smk h ASP 114 CO 0.67 1.31 -0.76 -0.22 -1.72 0.00 0.00 179.24 178.51 1smk s LEU 115 N -6.48 1.50 -0.19 1.55 2.96 -0.66 -0.63 118.68 116.73 1smk s LEU 115 Ca -0.10 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1smk s LEU 115 Cb 0.07 -0.34 0.00 0.00 0.50 0.00 0.00 46.19 46.43 1smk s LEU 115 CO 0.81 -0.03 -0.13 -0.63 -1.32 0.00 0.00 176.35 175.05 1smk s ILE 116 N 0.61 2.69 -0.17 6.68 -1.09 0.12 -1.22 121.20 128.81 1smk s ILE 116 Ca -0.07 -0.73 -0.04 0.00 -2.23 0.00 0.00 60.65 57.57 1smk s ILE 116 Cb -0.11 -2.17 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 1smk s ILE 116 CO -0.00 0.49 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.54 1smk s ILE 117 N 1.24 3.87 -0.50 2.92 1.01 0.31 0.13 121.20 130.19 1smk s ILE 117 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1smk s ILE 117 Cb -0.14 -2.72 0.13 0.00 0.01 0.00 0.00 42.46 39.74 1smk s ILE 117 CO -0.06 0.47 0.25 -0.69 0.00 0.00 0.00 174.94 174.90 1smk s VAL 118 N 0.64 2.36 -2.35 2.92 1.01 0.15 -0.80 120.40 124.34 1smk s VAL 118 Ca -0.02 -3.15 0.28 0.00 0.00 0.00 0.00 61.98 59.09 1smk s VAL 118 Cb -0.14 -2.65 0.49 0.00 0.00 0.00 0.00 36.38 34.08 1smk s VAL 118 CO 0.02 -0.81 1.71 -0.81 0.00 0.00 0.00 175.10 175.22 1smk n PRO 119 N 3.23 1.49 -1.45 2.72 -0.04 -1.12 -1.05 135.00 138.79 1smk n PRO 119 Ca 0.06 -0.87 -0.44 0.00 -0.04 0.00 0.00 63.50 62.21 1smk n PRO 119 Cb 0.33 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1smk n PRO 119 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1smk n ALA 120 N 0.00 -1.78 0.00 0.55 0.00 -0.81 -4.55 120.51 113.93 1smk n ALA 120 Ca 0.18 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1smk n ALA 120 Cb 0.35 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 1.79 4.31 3.84 0.00 0.00 -1.26 -4.15 105.19 109.73 1smk n GLY 121 Ca 0.13 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.11 4.87 0.48 1.61 -7.23 -1.26 -5.03 120.40 111.73 1smk s VAL 122 Ca 0.00 0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 60.90 1smk s VAL 122 Cb 0.00 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.14 1smk s VAL 122 CO 0.00 0.29 0.86 -2.16 -0.31 0.00 0.00 175.10 173.78 1smk s PRO 123 N -1.84 3.71 0.58 4.82 0.04 -1.26 -4.94 135.00 136.11 1smk s PRO 123 Ca 0.36 0.53 -0.09 0.00 0.04 0.00 0.00 61.00 61.84 1smk s PRO 123 Cb -0.15 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1smk s PRO 123 CO 0.19 -0.22 0.94 -0.98 0.04 0.00 0.00 177.00 176.97 1smk s ARG 124 N -4.38 3.44 0.13 4.56 1.70 -1.26 -4.94 118.95 118.20 1smk s ARG 124 Ca 0.52 0.47 0.04 0.00 -0.47 0.00 0.00 55.73 56.29 1smk s ARG 124 Cb -0.10 -2.19 -0.04 0.00 -0.57 0.00 0.00 34.95 32.05 1smk s ARG 124 CO 0.39 -0.51 0.11 0.15 -1.08 0.00 0.00 175.30 174.37 1smk s LYS 125 N -5.04 2.89 -0.00 3.89 1.02 -1.26 -4.44 119.74 116.80 1smk s LYS 125 Ca 0.53 -0.80 -0.38 0.00 0.02 0.00 0.00 55.97 55.34 1smk s LYS 125 Cb -0.11 -2.68 -0.18 0.00 -0.52 0.00 0.00 37.83 34.35 1smk s LYS 125 CO 0.50 0.52 1.33 -2.30 -0.92 0.00 0.00 175.35 174.47 1smk n PRO 126 N -0.01 0.80 0.00 -1.68 -0.02 -1.26 -1.38 135.00 131.45 1smk n PRO 126 Ca -0.08 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1smk n PRO 126 Cb 0.53 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 2.50 1.82 3.92 -1.23 0.00 -1.26 -5.03 105.19 105.91 1smk n GLY 127 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1smk n GLY 127 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1smk s MET 128 N -0.56 3.41 0.11 1.61 -1.94 -0.48 -5.11 119.30 116.35 1smk s MET 128 Ca 0.00 -0.51 -0.02 0.00 -1.71 0.00 0.00 55.69 53.45 1smk s MET 128 Cb 0.00 -3.00 -0.05 0.00 2.01 0.00 0.00 34.83 33.80 1smk s MET 128 CO 0.00 0.57 0.29 0.95 -0.01 0.00 0.00 175.02 176.83 1smk s THR 129 N -1.59 5.28 0.53 2.05 -4.23 -1.26 -4.87 115.64 111.54 1smk s THR 129 Ca 0.35 -0.22 0.36 0.00 -1.18 0.00 0.00 61.69 61.00 1smk s THR 129 Cb -0.12 -3.64 0.56 0.00 1.34 0.00 0.00 72.50 70.64 1smk s THR 129 CO 0.28 0.07 1.77 0.03 -0.54 0.00 0.00 174.62 176.23 1smk h ARG 130 N 2.87 0.04 0.00 3.99 3.08 -1.99 0.71 114.38 123.08 1smk h ARG 130 Ca -0.46 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.54 1smk h ARG 130 Cb 1.17 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1smk h ARG 130 CO 0.74 0.03 -0.26 0.22 -1.07 0.00 0.00 179.97 179.63 1smk h ASP 131 N 0.04 0.00 0.45 7.04 3.58 -1.95 -2.65 116.42 122.93 1smk h ASP 131 Ca 0.62 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.07 1smk h ASP 131 Cb 2.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.41 1smk h ASP 131 CO -0.05 0.26 0.00 0.44 -2.88 0.00 0.00 179.24 177.01 1smk h ASP 132 N 0.00 0.00 -0.02 2.28 3.32 0.07 -1.36 116.42 120.70 1smk h ASP 132 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1smk h ASP 132 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1smk h ASP 132 CO 0.03 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 1smk n LEU 133 N -2.32 0.93 0.10 1.55 4.77 -1.00 -4.50 117.00 116.53 1smk n LEU 133 Ca 0.01 -0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 55.53 1smk n LEU 133 Cb 0.15 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1smk n LEU 133 CO 0.16 0.16 0.60 0.15 -1.33 0.00 0.00 177.39 177.14 1smk h PHE 134 N 1.42 -1.10 -0.48 -1.77 3.57 -1.42 -1.63 116.94 115.53 1smk h PHE 134 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1smk h PHE 134 Cb 0.30 0.47 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 1smk h PHE 134 CO 0.01 -0.49 0.15 -0.22 -2.23 0.00 0.00 178.31 175.53 1smk h LYS 135 N -0.61 0.31 -0.02 1.11 3.64 -1.84 0.52 116.57 119.68 1smk h LYS 135 Ca 0.03 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1smk h LYS 135 Cb 0.65 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1smk h LYS 135 CO -0.25 0.21 -0.26 0.82 -2.27 0.00 0.00 179.45 177.69 1smk h ILE 136 N 0.32 1.50 -0.26 2.00 2.04 -1.89 -3.25 117.51 117.98 1smk h ILE 136 Ca 0.23 -1.85 -0.13 0.00 1.00 0.00 0.00 64.86 64.11 1smk h ILE 136 Cb 0.26 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 1smk h ILE 136 CO -0.25 0.51 -0.38 0.78 0.00 0.00 0.00 178.15 178.81 1smk h ASN 137 N -0.40 0.62 -0.34 1.72 4.21 -1.18 -2.75 115.58 117.46 1smk h ASN 137 Ca -0.03 -0.27 0.05 0.00 1.21 0.00 0.00 56.30 57.27 1smk h ASN 137 Cb 0.98 -0.17 -0.05 0.00 -1.12 0.00 0.00 38.32 37.96 1smk h ASN 137 CO 0.05 0.94 0.05 0.00 -1.29 0.00 0.00 177.43 177.18 1smk h ALA 138 N 1.09 0.35 -0.33 -0.83 0.00 -0.08 0.12 119.26 119.58 1smk h ALA 138 Ca 0.05 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1smk h ALA 138 Cb 0.88 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1smk h ALA 138 CO 0.08 -0.36 0.08 0.78 0.00 0.00 0.00 179.25 179.83 1smk h GLY 139 N 0.16 0.39 0.99 0.00 0.00 -1.56 -0.01 103.07 103.04 1smk h GLY 139 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1smk h GLY 139 CO -0.23 -0.00 0.31 -2.22 0.00 0.00 0.00 176.54 174.40 1smk h ILE 140 N 0.21 1.20 -0.73 2.60 2.04 -1.13 -2.38 117.51 119.31 1smk h ILE 140 Ca 0.15 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1smk h ILE 140 Cb 0.15 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1smk h ILE 140 CO -0.19 0.22 0.32 0.58 0.00 0.00 0.00 178.15 179.09 1smk h VAL 141 N 0.80 1.25 0.34 1.67 2.07 -0.59 -2.04 116.25 119.74 1smk h VAL 141 Ca 0.21 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1smk h VAL 141 Cb 0.07 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1smk h VAL 141 CO -0.03 0.30 -0.32 0.50 0.02 0.00 0.00 177.57 178.04 1smk h LYS 142 N 1.04 -0.66 -0.79 1.57 3.64 -0.55 0.98 116.57 121.80 1smk h LYS 142 Ca 0.25 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1smk h LYS 142 Cb 0.17 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1smk h LYS 142 CO -0.03 -0.44 0.31 0.00 -2.27 0.00 0.00 179.45 177.03 1smk h THR 143 N -0.68 1.26 -0.36 1.00 1.03 -1.39 -1.05 112.91 112.72 1smk h THR 143 Ca -0.02 -0.83 0.01 0.00 -0.01 0.00 0.00 66.41 65.56 1smk h THR 143 Cb 0.61 0.32 -0.02 0.00 -1.07 0.00 0.00 68.15 67.99 1smk h THR 143 CO -0.05 0.34 0.23 -0.07 -0.01 0.00 0.00 175.52 175.96 1smk h LEU 144 N 1.15 0.39 -1.24 0.00 3.38 -1.14 -2.00 115.31 115.86 1smk h LEU 144 Ca 0.26 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 1smk h LEU 144 Cb 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1smk h LEU 144 CO -0.02 0.28 -0.13 0.00 0.09 0.00 0.00 178.44 178.66 1smk h GLU 146 N 0.33 0.55 -0.20 0.00 5.08 -0.61 0.24 114.58 119.97 1smk h GLU 146 Ca 0.06 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 1smk h GLU 146 Cb 0.44 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1smk h GLU 146 CO 0.03 0.52 -0.59 0.78 -1.00 0.00 0.00 179.01 178.74 1smk h GLY 147 N 0.79 0.73 0.91 -3.84 0.00 -0.62 -2.37 103.07 98.67 1smk h GLY 147 Ca 0.12 -0.89 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 1smk h GLY 147 CO -0.00 0.80 0.00 -2.22 0.00 0.00 0.00 176.54 175.12 1smk h ILE 148 N 0.50 1.26 -0.66 2.60 2.04 -0.42 0.73 117.51 123.55 1smk h ILE 148 Ca -0.00 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 64.99 1smk h ILE 148 Cb 1.17 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 1smk h ILE 148 CO 0.12 0.32 0.44 0.00 0.00 0.00 0.00 178.15 179.02 1smk h ALA 149 N 0.86 1.86 0.15 1.87 0.00 -0.47 -0.66 119.26 122.88 1smk h ALA 149 Ca 0.10 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 1smk h ALA 149 Cb 0.44 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1smk h ALA 149 CO 0.02 0.01 -1.50 -0.22 0.00 0.00 0.00 179.25 177.56 1smk h LYS 150 N 0.58 0.32 0.03 0.00 3.64 -1.04 -3.37 116.57 116.74 1smk h LYS 150 Ca 0.30 -0.55 -0.35 0.00 -1.27 0.00 0.00 60.65 58.77 1smk h LYS 150 Cb 0.41 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1smk h LYS 150 CO -0.09 1.26 -2.11 0.00 -2.27 0.00 0.00 179.45 176.24 1smk n PRO 153 N 1.40 0.01 -0.02 0.00 -0.04 -1.02 -2.49 135.00 132.85 1smk n PRO 153 Ca 0.18 0.33 0.05 0.00 -0.04 0.00 0.00 63.50 64.02 1smk n PRO 153 Cb 0.56 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.57 1smk n PRO 153 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1smk n ARG 154 N -1.48 0.66 -2.08 0.54 1.74 -1.26 -4.87 116.66 109.91 1smk n ARG 154 Ca 0.02 -1.20 -0.33 0.00 -0.77 0.00 0.00 57.85 55.57 1smk n ARG 154 Cb 0.11 -1.20 0.01 0.00 -1.02 0.00 0.00 32.46 30.36 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 -0.86 2.69 0.11 7.54 0.00 -1.04 -5.00 121.76 125.20 1smk s ALA 155 Ca 0.13 0.52 -0.29 0.00 0.00 0.00 0.00 51.96 52.32 1smk s ALA 155 Cb 0.09 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 1smk s ALA 155 CO 0.13 -0.84 0.92 0.42 0.00 0.00 0.00 175.76 176.39 1smk s ILE 156 N -2.26 4.50 -0.13 0.00 -1.09 0.20 -4.89 121.20 117.53 1smk s ILE 156 Ca 0.66 1.98 -0.01 0.00 -2.23 0.00 0.00 60.65 61.05 1smk s ILE 156 Cb -0.18 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.40 1smk s ILE 156 CO 0.34 0.35 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.63 1smk s VAL 157 N -0.17 3.52 -0.45 2.92 1.01 0.06 0.15 120.40 127.45 1smk s VAL 157 Ca 0.44 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1smk s VAL 157 Cb -0.23 -2.50 0.12 0.00 0.00 0.00 0.00 36.38 33.77 1smk s VAL 157 CO 0.29 0.53 0.21 0.20 0.00 0.00 0.00 175.10 176.32 1smk s ASN 158 N 0.09 4.86 -0.25 3.32 0.01 0.12 -1.12 114.94 121.97 1smk s ASN 158 Ca -0.03 -2.45 -0.21 0.00 -0.71 0.00 0.00 52.86 49.46 1smk s ASN 158 Cb -0.14 -1.72 -0.02 0.00 0.41 0.00 0.00 41.25 39.78 1smk s ASN 158 CO 0.04 -0.38 0.65 -0.22 -1.51 0.00 0.00 177.10 175.67 1smk s LEU 159 N 0.51 4.07 -0.20 0.60 2.96 0.44 -0.67 118.68 126.38 1smk s LEU 159 Ca 0.13 0.76 0.05 0.00 -0.22 0.00 0.00 54.13 54.84 1smk s LEU 159 Cb -0.22 -2.89 -0.15 0.00 0.50 0.00 0.00 46.19 43.42 1smk s LEU 159 CO -0.04 -0.38 -0.12 -0.38 -1.32 0.00 0.00 176.35 174.11 1smk n ILE 160 N 5.16 1.18 -0.99 6.68 5.41 -0.21 -0.89 119.36 135.68 1smk n ILE 160 Ca 0.00 -0.52 -0.39 0.00 1.00 0.00 0.00 62.75 62.85 1smk n ILE 160 Cb 0.49 -1.06 -0.06 0.00 -0.71 0.00 0.00 39.64 38.30 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 -2.98 0.53 -4.82 4.38 7.64 -1.02 -4.58 113.62 112.77 1smk n SER 161 Ca -0.34 0.69 -0.34 0.00 1.01 0.00 0.00 58.87 59.89 1smk n SER 161 Cb 0.93 -0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 63.54 1smk n SER 161 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1smk s ASN 162 N 1.31 6.99 -0.34 6.43 0.01 -1.26 -2.92 114.94 125.16 1smk s ASN 162 Ca 0.60 1.52 -0.21 0.00 -0.71 0.00 0.00 52.86 54.06 1smk s ASN 162 Cb -0.85 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 38.35 1smk s ASN 162 CO 0.44 -0.16 0.67 -2.16 -1.51 0.00 0.00 177.10 174.38 1smk s PRO 163 N -2.61 3.76 0.32 -0.60 0.04 -1.26 -4.68 135.00 129.98 1smk s PRO 163 Ca 0.53 0.18 0.09 0.00 0.04 0.00 0.00 61.00 61.84 1smk s PRO 163 Cb -0.13 -3.78 0.89 0.00 0.04 0.00 0.00 34.50 31.52 1smk s PRO 163 CO 0.18 -0.71 1.71 0.28 0.04 0.00 0.00 177.00 178.50 1smk h VAL 164 N 5.65 0.47 -0.25 -0.36 2.07 -1.78 0.39 116.25 122.45 1smk h VAL 164 Ca -0.26 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.16 1smk h VAL 164 Cb 1.11 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1smk h VAL 164 CO 0.84 0.09 0.31 0.78 0.02 0.00 0.00 177.57 179.61 1smk h ASN 165 N 0.49 0.00 0.00 0.57 2.35 -1.90 -2.43 115.58 114.66 1smk h ASN 165 Ca 0.65 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 56.21 1smk h ASN 165 Cb 1.28 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.62 1smk h ASN 165 CO -0.52 0.00 -1.71 -1.20 -1.65 0.00 0.00 177.43 172.36 1smk n SER 166 N -3.65 2.77 0.14 5.81 7.64 0.10 -3.86 113.62 122.56 1smk n SER 166 Ca 0.03 -0.03 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1smk n SER 166 Cb 0.44 0.27 0.24 0.00 -1.01 0.00 0.00 64.21 64.15 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 0.00 1.35 -0.13 0.44 1.35 -0.40 -2.07 112.91 113.45 1smk h THR 167 Ca -0.28 -1.70 -0.01 0.00 -0.55 0.00 0.00 66.41 63.87 1smk h THR 167 Cb 1.53 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.82 1smk h THR 167 CO -0.01 0.49 0.03 0.58 -0.25 0.00 0.00 175.52 176.35 1smk h VAL 168 N 0.07 1.21 -0.53 6.82 2.07 -1.69 0.15 116.25 124.34 1smk h VAL 168 Ca 0.00 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1smk h VAL 168 Cb 0.89 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1smk h VAL 168 CO 0.07 0.19 0.35 -0.65 0.02 0.00 0.00 177.57 177.55 1smk h PRO 169 N 0.01 0.62 -0.38 1.57 0.11 -1.76 0.65 132.00 132.82 1smk h PRO 169 Ca 0.04 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1smk h PRO 169 Cb 0.27 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1smk h PRO 169 CO 0.00 0.41 0.11 0.82 -0.21 0.00 0.00 178.00 179.14 1smk h ILE 170 N 0.64 1.22 -0.21 4.15 2.04 -0.86 -0.30 117.51 124.19 1smk h ILE 170 Ca 0.21 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1smk h ILE 170 Cb 0.05 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1smk h ILE 170 CO -0.05 0.25 0.14 0.00 0.00 0.00 0.00 178.15 178.48 1smk h ALA 171 N 0.96 0.27 -0.29 1.87 0.00 0.51 -0.36 119.26 122.22 1smk h ALA 171 Ca 0.12 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1smk h ALA 171 Cb 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1smk h ALA 171 CO -0.00 -0.26 0.06 0.00 0.00 0.00 0.00 179.25 179.05 1smk h ALA 172 N 1.08 0.30 -0.71 0.00 0.00 -0.70 -1.03 119.26 118.21 1smk h ALA 172 Ca 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1smk h ALA 172 Cb -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1smk h ALA 172 CO -0.02 -0.35 0.38 0.93 0.00 0.00 0.00 179.25 180.18 1smk h GLU 173 N 0.17 0.99 -0.46 0.00 4.39 -0.69 0.29 114.58 119.27 1smk h GLU 173 Ca 0.13 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1smk h GLU 173 Cb 0.13 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1smk h GLU 173 CO -0.17 0.73 0.21 0.28 -1.16 0.00 0.00 179.01 178.91 1smk h VAL 174 N 0.99 1.19 -0.56 3.13 2.07 -0.30 -0.95 116.25 121.82 1smk h VAL 174 Ca 0.25 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1smk h VAL 174 Cb 0.04 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1smk h VAL 174 CO -0.04 0.21 -0.06 -0.26 0.02 0.00 0.00 177.57 177.44 1smk h PHE 175 N 0.60 1.12 -0.25 1.57 0.04 -0.65 -2.10 116.94 117.26 1smk h PHE 175 Ca 0.16 -0.21 0.01 0.00 2.80 0.00 0.00 57.97 60.73 1smk h PHE 175 Cb 0.13 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1smk h PHE 175 CO -0.01 1.02 0.13 0.87 -0.60 0.00 0.00 178.31 179.72 1smk h LYS 176 N 0.91 0.26 0.00 1.51 1.57 -0.70 0.46 116.57 120.59 1smk h LYS 176 Ca 0.15 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1smk h LYS 176 Cb 0.62 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1smk h LYS 176 CO 0.04 0.18 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.76 1smk h LYS 177 N 0.27 0.00 -0.01 3.15 3.64 -1.00 -1.09 116.57 121.53 1smk h LYS 177 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1smk h LYS 177 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1smk h LYS 177 CO -0.07 0.11 -0.09 0.00 -2.27 0.00 0.00 179.45 177.14 1smk n ALA 178 N -2.38 2.74 -2.50 5.00 0.00 -0.65 -4.95 120.51 117.77 1smk n ALA 178 Ca -0.02 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.79 1smk n ALA 178 Cb 0.20 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.55 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 1.25 -0.28 0.00 0.00 0.00 0.02 -4.89 105.19 101.30 1smk n GLY 179 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.09 0.34 -1.70 2.61 -2.24 -0.45 -5.03 114.28 103.72 1smk n THR 180 Ca -0.15 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 1smk n THR 180 Cb 0.63 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.34 1.54 -0.31 4.78 5.04 -1.15 -4.92 117.35 121.99 1smk s TYR 181 Ca 0.00 -0.32 0.01 0.00 -2.44 0.00 0.00 57.07 54.33 1smk s TYR 181 Cb 0.00 -4.21 0.09 0.00 0.35 0.00 0.00 41.96 38.19 1smk s TYR 181 CO 0.00 -5.30 0.06 0.34 -1.34 0.00 0.00 175.55 169.30 1smk s ASP 182 N 3.94 4.25 0.56 4.32 -1.08 -1.26 -4.98 116.67 122.43 1smk s ASP 182 Ca 0.86 -1.74 0.30 0.00 -0.52 0.00 0.00 52.55 51.45 1smk s ASP 182 Cb -0.43 -1.19 1.64 0.00 -1.46 0.00 0.00 42.92 41.48 1smk s ASP 182 CO 0.40 -0.37 1.91 1.55 0.52 0.00 0.00 175.17 179.17 1smk h PRO 183 N 7.89 0.00 -0.44 4.34 0.13 -1.96 -1.21 132.00 140.75 1smk h PRO 183 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1smk h PRO 183 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1smk h PRO 183 CO 0.48 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.61 1smk n LYS 184 N -2.71 2.17 -0.04 0.86 2.85 -1.26 -3.90 118.16 116.14 1smk n LYS 184 Ca -0.02 -1.81 0.02 0.00 -1.05 0.00 0.00 58.31 55.45 1smk n LYS 184 Cb 0.23 -1.42 0.03 0.00 -0.65 0.00 0.00 35.03 33.23 1smk n LYS 184 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1smk n ARG 185 N 0.98 2.14 -4.07 -1.58 1.74 -0.46 0.13 116.66 115.54 1smk n ARG 185 Ca 0.18 -1.42 -0.33 0.00 -0.77 0.00 0.00 57.85 55.50 1smk n ARG 185 Cb 0.45 -1.07 -0.15 0.00 -1.02 0.00 0.00 32.46 30.66 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 -0.83 2.51 -0.08 0.55 2.96 -1.25 -0.76 118.68 121.79 1smk s LEU 186 Ca 0.06 -0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 53.24 1smk s LEU 186 Cb 0.03 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.20 1smk s LEU 186 CO 0.04 -0.04 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.22 1smk s LEU 187 N 1.30 1.04 -0.22 -0.68 1.02 -0.28 -4.56 118.68 116.31 1smk s LEU 187 Ca 0.03 -0.20 -0.27 0.00 0.02 0.00 0.00 54.13 53.71 1smk s LEU 187 Cb -0.14 -0.63 0.00 0.00 0.02 0.00 0.00 46.19 45.43 1smk s LEU 187 CO -0.10 -0.12 0.94 -0.83 0.02 0.00 0.00 176.35 176.26 1smk s GLY 188 N 1.58 1.82 -0.25 -3.19 0.00 0.23 -0.42 107.32 107.09 1smk s GLY 188 Ca 0.01 0.07 -0.29 0.00 0.00 0.00 0.00 44.72 44.51 1smk s GLY 188 CO -0.05 1.98 1.51 0.14 0.00 0.00 0.00 173.10 176.68 1smk s VAL 189 N 2.85 3.84 -0.39 1.40 1.01 -0.07 -0.58 120.40 128.47 1smk s VAL 189 Ca 0.41 0.95 0.03 0.00 0.00 0.00 0.00 61.98 63.37 1smk s VAL 189 Cb -0.16 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.41 1smk s VAL 189 CO 0.08 -0.36 0.75 0.35 0.00 0.00 0.00 175.10 175.92 1smk n THR 190 N 6.36 0.29 -0.43 3.92 -2.24 -1.26 -4.77 114.28 116.16 1smk n THR 190 Ca 0.17 -0.65 0.36 0.00 -2.27 0.00 0.00 64.05 61.67 1smk n THR 190 Cb 0.46 0.91 0.67 0.00 -2.10 0.00 0.00 70.33 70.26 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 0.67 0.12 0.00 -0.78 -1.53 -1.88 0.36 114.93 111.89 1smk h MET 191 Ca 0.00 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.20 1smk h MET 191 Cb 0.27 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.29 1smk h MET 191 CO 0.00 0.08 -0.23 1.25 0.14 0.00 0.00 176.91 178.14 1smk h LEU 192 N 0.12 0.00 -0.80 3.39 5.85 -1.88 0.07 115.31 122.05 1smk h LEU 192 Ca 0.72 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.32 1smk h LEU 192 Cb 2.44 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.45 1smk h LEU 192 CO -0.22 0.23 -0.40 0.44 -0.34 0.00 0.00 178.44 178.16 1smk h ASP 193 N 0.00 0.44 -0.16 1.25 3.32 -1.31 0.02 116.42 119.98 1smk h ASP 193 Ca -0.00 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.71 1smk h ASP 193 Cb 0.42 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1smk h ASP 193 CO 0.03 0.79 -0.47 0.58 -1.72 0.00 0.00 179.24 178.46 1smk h VAL 194 N 0.35 1.34 -0.20 -1.35 2.07 -1.38 -0.66 116.25 116.41 1smk h VAL 194 Ca 0.03 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1smk h VAL 194 Cb 0.86 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1smk h VAL 194 CO 0.07 0.53 0.13 0.58 0.02 0.00 0.00 177.57 178.90 1smk h VAL 195 N 0.25 1.06 -0.52 2.57 2.07 -0.85 0.13 116.25 120.96 1smk h VAL 195 Ca -0.01 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1smk h VAL 195 Cb 1.09 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1smk h VAL 195 CO 0.10 0.06 0.22 0.03 0.02 0.00 0.00 177.57 177.99 1smk h ARG 196 N 0.27 0.78 -0.56 1.57 3.08 -0.98 -0.65 114.38 117.88 1smk h ARG 196 Ca 0.07 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1smk h ARG 196 Cb -0.02 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 1smk h ARG 196 CO -0.02 0.68 0.37 0.00 -1.07 0.00 0.00 179.97 179.93 1smk h ALA 197 N 1.06 0.72 -0.29 0.04 0.00 -0.75 0.07 119.26 120.11 1smk h ALA 197 Ca 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1smk h ALA 197 Cb 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1smk h ALA 197 CO -0.02 0.14 0.13 -0.91 0.00 0.00 0.00 179.25 178.59 1smk h ASN 198 N 0.75 0.19 0.59 0.00 2.35 -0.41 0.10 115.58 119.15 1smk h ASN 198 Ca 0.21 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1smk h ASN 198 Cb -0.07 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1smk h ASN 198 CO -0.05 0.15 -0.29 0.74 -1.65 0.00 0.00 177.43 176.32 1smk h THR 199 N 0.29 0.41 -0.57 2.81 2.02 -0.54 0.05 112.91 117.37 1smk h THR 199 Ca 0.12 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 1smk h THR 199 Cb 0.05 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1smk h THR 199 CO -0.09 0.00 0.16 -0.26 0.37 0.00 0.00 175.52 175.70 1smk h PHE 200 N -0.80 0.89 -0.37 3.16 0.04 -0.90 -0.86 116.94 118.10 1smk h PHE 200 Ca -0.08 -0.08 -0.13 0.00 2.80 0.00 0.00 57.97 60.48 1smk h PHE 200 Cb 0.62 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1smk h PHE 200 CO -0.04 0.73 -0.28 0.28 -0.60 0.00 0.00 178.31 178.40 1smk h VAL 201 N 0.84 1.28 -0.90 -0.55 2.07 -0.75 -1.37 116.25 116.87 1smk h VAL 201 Ca 0.19 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1smk h VAL 201 Cb 0.27 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1smk h VAL 201 CO -0.01 0.48 0.50 0.00 0.02 0.00 0.00 177.57 178.56 1smk h ALA 202 N 0.77 1.18 -0.43 1.67 0.00 -0.56 -1.15 119.26 120.75 1smk h ALA 202 Ca 0.07 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1smk h ALA 202 Cb 0.86 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1smk h ALA 202 CO 0.07 0.66 -0.13 0.93 0.00 0.00 0.00 179.25 180.79 1smk h GLU 203 N 1.26 0.84 -0.49 0.00 5.08 -0.97 0.24 114.58 120.53 1smk h GLU 203 Ca 0.32 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1smk h GLU 203 Cb 0.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1smk h GLU 203 CO -0.05 0.97 -0.06 0.28 -1.00 0.00 0.00 179.01 179.14 1smk h VAL 204 N 0.67 1.26 -0.01 3.13 2.07 -0.91 -2.96 116.25 119.50 1smk h VAL 204 Ca 0.11 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1smk h VAL 204 Cb 0.67 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1smk h VAL 204 CO 0.05 0.40 -0.26 0.18 0.02 0.00 0.00 177.57 177.96 1smk n LEU 205 N -4.17 0.92 -1.69 2.57 4.77 -0.46 -4.95 117.00 113.99 1smk n LEU 205 Ca 0.02 -0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 55.67 1smk n LEU 205 Cb 0.35 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1smk n LEU 205 CO 0.43 0.18 -0.03 0.61 -1.33 0.00 0.00 177.39 177.25 1smk n GLY 206 N 1.35 -0.01 3.78 -0.72 0.00 0.24 -5.02 105.19 104.81 1smk n GLY 206 Ca 0.12 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.80 3.25 -0.18 0.99 1.43 0.58 -5.02 118.68 115.92 1smk s LEU 207 Ca 0.13 -0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 52.08 1smk s LEU 207 Cb -0.06 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1smk s LEU 207 CO 0.17 -0.51 0.86 -0.62 0.23 0.00 0.00 176.35 176.48 1smk s ASP 208 N -3.96 6.97 0.56 2.29 -1.08 -1.26 -4.43 116.67 115.76 1smk s ASP 208 Ca 0.42 1.20 0.29 0.00 -0.52 0.00 0.00 52.55 53.95 1smk s ASP 208 Cb 0.00 -2.47 1.46 0.00 -1.46 0.00 0.00 42.92 40.46 1smk s ASP 208 CO 0.24 -0.45 1.90 1.55 0.52 0.00 0.00 175.17 178.94 1smk h PRO 209 N 7.38 0.00 0.00 4.34 0.13 -1.89 0.13 132.00 142.10 1smk h PRO 209 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1smk h PRO 209 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1smk h PRO 209 CO 0.86 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.53 1smk h ARG 210 N 0.00 0.00 -0.65 0.86 3.08 -1.93 -1.81 114.38 113.93 1smk h ARG 210 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1smk h ARG 210 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1smk h ARG 210 CO -0.00 0.10 0.00 -0.25 -1.07 0.00 0.00 179.97 178.74 1smk n ASP 211 N -3.44 4.67 -4.32 7.04 8.00 0.47 -4.92 116.55 124.05 1smk n ASP 211 Ca -0.01 -2.46 -0.31 0.00 0.71 0.00 0.00 54.79 52.72 1smk n ASP 211 Cb 0.25 -0.58 -0.16 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.89 2.21 -0.11 2.53 1.01 -0.68 -3.97 120.40 119.50 1smk s VAL 212 Ca 0.50 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1smk s VAL 212 Cb 0.32 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.95 1smk s VAL 212 CO 0.23 0.58 -0.00 -0.62 0.00 0.00 0.00 175.10 175.29 1smk s ASP 213 N -0.47 1.98 -0.25 3.32 2.15 -0.12 -4.88 116.67 118.41 1smk s ASP 213 Ca 0.06 -0.29 -0.00 0.00 0.43 0.00 0.00 52.55 52.75 1smk s ASP 213 Cb -0.11 -0.54 0.04 0.00 -0.30 0.00 0.00 42.92 42.01 1smk s ASP 213 CO 0.01 -0.21 -0.09 -0.69 -0.17 0.00 0.00 175.17 174.02 1smk s VAL 214 N 1.91 2.58 0.44 1.11 1.01 -1.26 -1.30 120.40 124.89 1smk s VAL 214 Ca 0.04 -1.22 -0.24 0.00 0.00 0.00 0.00 61.98 60.56 1smk s VAL 214 Cb -0.13 -2.35 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 1smk s VAL 214 CO -0.06 0.15 1.24 -2.84 0.00 0.00 0.00 175.10 173.59 1smk s PRO 215 N 1.25 3.82 -0.08 2.72 0.02 -1.26 -4.78 135.00 136.69 1smk s PRO 215 Ca -0.02 1.98 -0.00 0.00 0.02 0.00 0.00 61.00 62.98 1smk s PRO 215 Cb -0.17 -2.57 0.02 0.00 0.02 0.00 0.00 34.50 31.80 1smk s PRO 215 CO -0.05 -0.56 -0.05 0.08 -0.33 0.00 0.00 177.00 176.08 1smk s VAL 216 N -1.38 0.72 0.50 3.83 1.01 -1.26 -1.27 120.40 122.54 1smk s VAL 216 Ca 0.61 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1smk s VAL 216 Cb -0.34 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1smk s VAL 216 CO 0.42 0.30 0.00 0.68 0.00 0.00 0.00 175.10 176.50 1smk s VAL 217 N 1.48 1.28 0.00 2.92 -7.23 -0.48 -4.41 120.40 113.97 1smk s VAL 217 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1smk s VAL 217 Cb -0.13 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1smk s VAL 217 CO -0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1smk n GLY 218 N -1.22 0.91 0.00 2.32 0.00 -0.60 -1.03 105.19 105.58 1smk n GLY 218 Ca -0.17 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 4.06 2.84 -0.02 0.00 0.20 0.47 105.19 112.75 1smk n GLY 219 Ca 0.00 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 3.82 -3.56 1.61 -0.00 -1.26 -3.55 115.22 112.28 1smk n HIS 220 Ca 0.00 -3.69 -0.01 0.00 0.46 0.00 0.00 57.72 54.47 1smk n HIS 220 Cb 0.00 -0.52 -0.06 0.00 -0.12 0.00 0.00 29.99 29.29 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 -3.59 -2.38 0.00 1.57 0.00 -1.26 -4.81 121.76 111.29 1smk s ALA 221 Ca 0.48 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.62 1smk s ALA 221 Cb 0.29 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1smk s ALA 221 CO -0.15 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1smk n GLY 222 N 4.29 3.03 0.00 0.00 0.00 -1.26 -0.72 105.19 110.52 1smk n GLY 222 Ca -0.15 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.06 0.21 1.61 0.24 -1.26 -2.08 118.33 117.10 1smk n VAL 223 Ca 0.00 0.02 0.10 0.00 -2.04 0.00 0.00 64.34 62.42 1smk n VAL 223 Cb 0.00 -0.72 0.17 0.00 -1.47 0.00 0.00 33.84 31.82 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 0.18 -3.04 3.34 1.03 -1.23 -3.32 112.91 109.88 1smk h THR 224 Ca 0.00 -1.23 -0.59 0.00 -0.01 0.00 0.00 66.41 64.58 1smk h THR 224 Cb 0.02 2.06 -0.11 0.00 -1.07 0.00 0.00 68.15 69.06 1smk h THR 224 CO 0.00 0.10 0.74 -0.63 -0.01 0.00 0.00 175.52 175.72 1smk s ILE 225 N -3.19 4.19 -0.44 0.00 1.01 -0.89 -0.63 121.20 121.26 1smk s ILE 225 Ca 0.06 0.40 -0.05 0.00 0.00 0.00 0.00 60.65 61.06 1smk s ILE 225 Cb 0.06 -4.66 0.12 0.00 0.01 0.00 0.00 42.46 37.99 1smk s ILE 225 CO 0.68 -1.31 0.27 -0.22 0.00 0.00 0.00 174.94 174.36 1smk s LEU 226 N 4.47 5.41 -0.08 2.97 2.96 -0.19 -4.73 118.68 129.49 1smk s LEU 226 Ca 0.34 -2.04 -0.30 0.00 -0.22 0.00 0.00 54.13 51.91 1smk s LEU 226 Cb -0.11 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 1smk s LEU 226 CO 0.19 -0.59 1.11 -2.16 -1.32 0.00 0.00 176.35 173.59 1smk s PRO 227 N 1.15 4.39 -1.12 0.98 0.04 -1.26 -1.38 135.00 137.79 1smk s PRO 227 Ca 0.08 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 1smk s PRO 227 Cb -0.24 -3.55 0.23 0.00 0.04 0.00 0.00 34.50 30.99 1smk s PRO 227 CO -0.03 -0.38 1.20 -0.51 0.04 0.00 0.00 177.00 177.32 1smk s LEU 228 N 2.10 5.88 0.50 -3.56 1.43 -0.40 -4.84 118.68 119.80 1smk s LEU 228 Ca 0.52 -3.28 0.16 0.00 -1.03 0.00 0.00 54.13 50.51 1smk s LEU 228 Cb -0.22 -2.28 1.22 0.00 0.03 0.00 0.00 46.19 44.94 1smk s LEU 228 CO 0.20 -0.49 2.10 -0.07 0.23 0.00 0.00 176.35 178.32 1smk h LEU 229 N 7.91 0.09 -0.21 1.79 3.38 -1.93 -0.26 115.31 126.08 1smk h LEU 229 Ca 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1smk h LEU 229 Cb 0.89 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1smk h LEU 229 CO 1.08 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 178.13 1smk n SER 230 N -4.50 0.14 -0.26 -0.43 3.41 -1.26 -1.95 113.62 108.77 1smk n SER 230 Ca 0.01 0.54 0.03 0.00 -0.26 0.00 0.00 58.87 59.19 1smk n SER 230 Cb 0.20 -0.57 0.07 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.66 2.85 -1.53 4.33 6.02 -0.11 -5.01 117.38 122.26 1smk n GLN 231 Ca 0.02 -1.80 -0.36 0.00 -0.01 0.00 0.00 57.00 54.85 1smk n GLN 231 Cb 0.12 -1.15 0.08 0.00 1.02 0.00 0.00 30.24 30.31 1smk n GLN 231 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1smk n VAL 232 N -0.21 3.99 -4.87 5.09 3.14 -0.82 -4.68 118.33 119.96 1smk n VAL 232 Ca 0.06 -0.42 -0.27 0.00 -2.96 0.00 0.00 64.34 60.75 1smk n VAL 232 Cb 0.36 -1.36 -0.16 0.00 -1.06 0.00 0.00 33.84 31.61 1smk n VAL 232 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1smk s LYS 233 N -3.51 1.88 0.58 1.45 1.02 -0.42 -3.52 119.74 117.22 1smk s LYS 233 Ca 0.79 -0.63 -0.16 0.00 0.02 0.00 0.00 55.97 55.99 1smk s LYS 233 Cb -0.36 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 1smk s LYS 233 CO 0.44 0.25 1.05 -1.25 -0.92 0.00 0.00 175.35 174.91 1smk s PRO 234 N 0.05 3.40 0.01 -1.68 0.04 -1.25 -0.94 135.00 134.62 1smk s PRO 234 Ca -0.05 1.17 -0.39 0.00 0.04 0.00 0.00 61.00 61.77 1smk s PRO 234 Cb -0.12 -2.05 -0.18 0.00 0.04 0.00 0.00 34.50 32.19 1smk s PRO 234 CO 0.03 -0.74 1.23 -2.30 0.04 0.00 0.00 177.00 175.25 1smk n PRO 235 N -1.98 0.52 -3.80 0.56 -0.02 -1.23 -4.95 135.00 124.10 1smk n PRO 235 Ca 0.08 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.63 1smk n PRO 235 Cb 0.53 -1.75 -0.09 0.00 -0.02 0.00 0.00 33.50 32.17 1smk n PRO 235 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1smk s SER 236 N 0.44 -0.11 0.06 2.55 0.01 -1.26 -5.12 113.70 110.26 1smk s SER 236 Ca 0.89 -0.02 0.02 0.00 1.31 0.00 0.00 55.95 58.15 1smk s SER 236 Cb -1.14 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 1smk s SER 236 CO 0.54 -0.42 0.09 -0.94 0.41 0.00 0.00 173.24 172.92 1smk s SER 237 N -1.34 5.60 0.08 2.44 1.04 -1.26 -4.94 113.70 115.32 1smk s SER 237 Ca -0.14 0.04 0.07 0.00 0.48 0.00 0.00 55.95 56.40 1smk s SER 237 Cb -0.06 -1.54 -0.03 0.00 0.10 0.00 0.00 66.02 64.49 1smk s SER 237 CO 0.03 0.19 -0.20 -0.36 0.98 0.00 0.00 173.24 173.89 1smk s PHE 238 N -1.35 1.69 0.73 5.02 0.08 -1.26 -5.11 117.98 117.78 1smk s PHE 238 Ca 0.28 -0.41 -0.10 0.00 0.12 0.00 0.00 56.93 56.82 1smk s PHE 238 Cb -0.12 -0.95 0.05 0.00 -0.57 0.00 0.00 43.02 41.43 1smk s PHE 238 CO 0.21 0.16 1.09 0.95 -0.10 0.00 0.00 175.22 177.52 1smk s THR 239 N -1.09 2.75 0.19 0.64 -4.23 -1.26 -4.87 115.64 107.77 1smk s THR 239 Ca 0.05 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.55 1smk s THR 239 Cb -0.10 -3.22 0.10 0.00 1.34 0.00 0.00 72.50 70.63 1smk s THR 239 CO 0.03 -0.27 1.84 -0.61 -0.54 0.00 0.00 174.62 175.07 1smk h GLN 240 N -0.73 0.84 -0.76 3.99 4.15 -2.01 -1.29 115.11 119.30 1smk h GLN 240 Ca -0.45 -0.07 0.06 0.00 0.77 0.00 0.00 58.65 58.96 1smk h GLN 240 Cb 1.29 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.74 1smk h GLN 240 CO 0.64 0.58 0.45 1.49 -1.93 0.00 0.00 178.83 180.06 1smk h GLU 241 N 0.85 0.80 -0.18 1.69 4.22 -2.00 -0.91 114.58 119.05 1smk h GLU 241 Ca 0.23 -0.05 -0.21 0.00 0.08 0.00 0.00 59.36 59.41 1smk h GLU 241 Cb -0.06 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.02 1smk h GLU 241 CO -0.05 0.53 -0.71 0.93 -2.18 0.00 0.00 179.01 177.54 1smk h GLU 242 N 0.83 0.77 -0.22 1.92 5.08 -1.82 -2.50 114.58 118.63 1smk h GLU 242 Ca 0.33 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1smk h GLU 242 Cb 0.18 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1smk h GLU 242 CO -0.18 1.20 0.08 0.82 -1.00 0.00 0.00 179.01 179.93 1smk h ILE 243 N 0.55 1.18 -0.82 3.13 2.04 -0.84 -1.08 117.51 121.67 1smk h ILE 243 Ca -0.03 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1smk h ILE 243 Cb 1.32 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1smk h ILE 243 CO 0.15 0.18 0.34 -1.28 0.00 0.00 0.00 178.15 177.54 1smk h SER 244 N 0.20 1.11 -0.16 1.72 0.87 -1.23 -2.43 113.55 113.63 1smk h SER 244 Ca 0.07 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1smk h SER 244 Cb 0.21 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1smk h SER 244 CO -0.00 0.97 0.08 0.22 -0.53 0.00 0.00 176.83 177.57 1smk h TYR 245 N 1.18 0.24 -0.83 2.24 3.20 -1.25 -2.85 116.97 118.91 1smk h TYR 245 Ca 0.27 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.14 1smk h TYR 245 Cb 0.19 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1smk h TYR 245 CO 0.02 0.26 0.54 -0.07 -1.64 0.00 0.00 178.16 177.27 1smk h LEU 246 N 0.14 0.96 0.39 2.82 3.38 -1.04 0.13 115.31 122.08 1smk h LEU 246 Ca 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1smk h LEU 246 Cb 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1smk h LEU 246 CO -0.01 0.70 -0.19 0.74 0.09 0.00 0.00 178.44 179.77 1smk h THR 247 N 1.12 0.61 0.05 0.22 2.02 -1.33 0.29 112.91 115.90 1smk h THR 247 Ca 0.30 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.47 1smk h THR 247 Cb -0.12 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1smk h THR 247 CO -0.06 0.00 -0.02 0.44 0.37 0.00 0.00 175.52 176.24 1smk h ASP 248 N -0.54 -0.06 -0.52 4.18 3.32 -1.27 -0.33 116.42 121.21 1smk h ASP 248 Ca -0.05 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.02 1smk h ASP 248 Cb 0.41 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 1smk h ASP 248 CO 0.09 -0.00 0.23 -0.09 -1.72 0.00 0.00 179.24 177.75 1smk h ARG 249 N -0.11 0.44 -0.15 3.56 9.65 -0.64 -1.73 114.38 125.39 1smk h ARG 249 Ca -0.01 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 58.71 1smk h ARG 249 Cb 0.09 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1smk h ARG 249 CO 0.01 0.29 -0.44 0.82 2.80 0.00 0.00 179.97 183.45 1smk h ILE 250 N 0.45 1.35 0.00 1.20 2.04 -0.33 -2.10 117.51 120.11 1smk h ILE 250 Ca 0.24 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1smk h ILE 250 Cb 0.20 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1smk h ILE 250 CO -0.20 0.52 0.00 1.56 0.00 0.00 0.00 178.15 180.03 1smk h GLN 251 N 0.21 0.00 -0.12 2.37 4.20 -0.93 -3.08 115.11 117.75 1smk h GLN 251 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1smk h GLN 251 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1smk h GLN 251 CO 0.10 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.35 1smk n ASN 252 N -2.56 2.13 -0.21 1.46 3.02 -0.66 -4.04 115.26 114.39 1smk n ASN 252 Ca 0.02 -1.63 0.01 0.00 -0.03 0.00 0.00 54.58 52.95 1smk n ASN 252 Cb 0.28 -0.07 0.11 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.59 0.69 0.69 7.41 0.00 -1.28 0.43 103.07 112.59 1smk h GLY 253 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1smk h GLY 253 CO 0.00 -0.19 -0.13 -1.33 0.00 0.00 0.00 176.54 174.88 1smk h GLY 254 N 0.14 -0.18 0.78 4.60 0.00 -1.83 -1.37 103.07 105.20 1smk h GLY 254 Ca 0.33 0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.85 1smk h GLY 254 CO -0.52 -0.13 0.29 -0.84 0.00 0.00 0.00 176.54 175.34 1smk h THR 255 N -0.23 0.99 -0.48 4.70 2.02 -1.57 -1.69 112.91 116.65 1smk h THR 255 Ca 0.04 -0.20 0.10 0.00 0.77 0.00 0.00 66.41 67.12 1smk h THR 255 Cb 0.28 0.37 -0.10 0.00 -1.74 0.00 0.00 68.15 66.97 1smk h THR 255 CO -0.12 0.10 -0.18 -0.08 0.37 0.00 0.00 175.52 175.61 1smk h GLU 256 N 0.57 -0.08 -0.73 6.66 4.81 0.42 0.50 114.58 126.74 1smk h GLU 256 Ca 0.23 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1smk h GLU 256 Cb 0.10 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1smk h GLU 256 CO -0.14 -0.05 0.33 0.28 -0.73 0.00 0.00 179.01 178.70 1smk h VAL 257 N -0.08 1.24 -0.31 0.32 2.07 -0.63 -1.93 116.25 116.93 1smk h VAL 257 Ca 0.23 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1smk h VAL 257 Cb 0.43 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1smk h VAL 257 CO -0.53 0.29 0.14 0.58 0.02 0.00 0.00 177.57 178.07 1smk h VAL 258 N 1.02 0.96 -0.48 2.57 2.07 -0.30 -1.27 116.25 120.83 1smk h VAL 258 Ca 0.25 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1smk h VAL 258 Cb 0.15 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1smk h VAL 258 CO -0.03 0.05 0.25 -0.33 0.02 0.00 0.00 177.57 177.54 1smk h GLU 259 N 0.30 0.48 0.00 1.57 5.08 -0.68 -2.39 114.58 118.94 1smk h GLU 259 Ca 0.13 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1smk h GLU 259 Cb 0.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1smk h GLU 259 CO -0.11 0.32 -0.21 0.00 -1.00 0.00 0.00 179.01 178.01 1smk h ALA 260 N 1.25 1.43 -0.00 3.43 0.00 -0.83 -1.99 119.26 122.54 1smk h ALA 260 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1smk h ALA 260 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1smk h ALA 260 CO -0.13 0.26 -0.16 1.63 0.00 0.00 0.00 179.25 180.85 1smk n LYS 261 N -3.96 0.35 -3.80 0.00 5.02 -0.53 -4.97 118.16 110.26 1smk n LYS 261 Ca -0.02 -0.11 -0.28 0.00 -2.02 0.00 0.00 58.31 55.88 1smk n LYS 261 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.23 -2.70 -1.00 7.82 0.00 -0.75 -1.51 120.51 121.15 1smk n ALA 262 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1smk n ALA 262 Cb 0.30 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.67 0.71 2.68 0.00 0.00 -1.26 -4.93 105.19 100.71 1smk n GLY 263 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 0.99 5.83 0.00 4.61 0.00 -0.57 -5.01 120.51 126.37 1smk n ALA 264 Ca 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.26 1smk n ALA 264 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.53 -2.48 0.00 0.00 0.00 -1.26 -4.95 105.19 95.97 1smk n GLY 265 Ca 0.47 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.86 1.18 -4.60 1.61 3.41 -1.26 -4.57 113.62 108.52 1smk n SER 266 Ca 0.00 -0.68 -0.51 0.00 -0.26 0.00 0.00 58.87 57.41 1smk n SER 266 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 -3.00 -0.65 0.06 7.33 0.00 -1.26 -4.87 120.51 118.11 1smk n ALA 267 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1smk n ALA 267 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 2.72 0.62 0.01 0.00 -1.04 -1.26 -4.64 114.28 110.69 1smk n THR 268 Ca 0.19 0.21 -0.12 0.00 -2.04 0.00 0.00 64.05 62.28 1smk n THR 268 Cb 0.20 -1.26 -0.09 0.00 -1.82 0.00 0.00 70.33 67.36 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 -0.10 -1.27 -4.42 3.38 -1.89 0.74 115.31 111.75 1smk h LEU 269 Ca 0.00 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.49 1smk h LEU 269 Cb 0.21 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1smk h LEU 269 CO 0.00 0.50 0.50 0.77 0.09 0.00 0.00 178.44 180.30 1smk h SER 270 N -0.77 0.84 -0.26 -0.43 4.64 -1.98 0.14 113.55 115.73 1smk h SER 270 Ca -0.01 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1smk h SER 270 Cb 0.58 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1smk h SER 270 CO 0.02 0.60 0.05 -0.03 -0.87 0.00 0.00 176.83 176.60 1smk h MET 271 N 0.99 0.43 -0.71 4.77 1.85 -1.81 0.18 114.93 120.62 1smk h MET 271 Ca 0.28 -0.11 0.02 0.00 -0.61 0.00 0.00 59.70 59.28 1smk h MET 271 Cb -0.07 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 31.86 1smk h MET 271 CO -0.07 0.53 0.46 0.00 -0.40 0.00 0.00 176.91 177.43 1smk h ALA 272 N 0.87 0.92 -0.52 0.39 0.00 -0.05 0.17 119.26 121.05 1smk h ALA 272 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1smk h ALA 272 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1smk h ALA 272 CO 0.00 0.27 0.27 -0.92 0.00 0.00 0.00 179.25 178.87 1smk h TYR 273 N 0.91 0.72 -0.31 0.00 5.03 -0.43 -0.90 116.97 121.99 1smk h TYR 273 Ca 0.27 -0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.49 1smk h TYR 273 Cb -0.04 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.01 1smk h TYR 273 CO -0.03 0.55 -0.08 0.00 -1.32 0.00 0.00 178.16 177.28 1smk h ALA 274 N 1.10 0.43 -0.83 1.82 0.00 -0.05 -1.96 119.26 119.77 1smk h ALA 274 Ca 0.18 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1smk h ALA 274 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1smk h ALA 274 CO -0.03 0.26 0.55 0.00 0.00 0.00 0.00 179.25 180.04 1smk h ALA 275 N 0.79 1.42 -0.27 0.00 0.00 -0.46 0.20 119.26 120.95 1smk h ALA 275 Ca 0.08 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1smk h ALA 275 Cb 0.57 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1smk h ALA 275 CO 0.03 0.54 -0.49 0.28 0.00 0.00 0.00 179.25 179.61 1smk h VAL 276 N 1.12 1.29 -0.43 0.00 2.07 -1.03 0.46 116.25 119.73 1smk h VAL 276 Ca 0.31 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 66.18 1smk h VAL 276 Cb -0.11 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1smk h VAL 276 CO -0.07 0.54 0.21 0.11 0.02 0.00 0.00 177.57 178.38 1smk h LYS 277 N 0.58 0.41 -0.57 1.57 1.57 -0.62 0.49 116.57 119.99 1smk h LYS 277 Ca 0.02 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1smk h LYS 277 Cb 1.09 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1smk h LYS 277 CO 0.11 0.27 -0.02 0.35 -0.57 0.00 0.00 179.45 179.59 1smk h PHE 278 N 0.42 1.11 -0.47 -1.35 3.57 -0.73 -1.90 116.94 117.58 1smk h PHE 278 Ca 0.18 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1smk h PHE 278 Cb 0.09 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1smk h PHE 278 CO -0.10 0.99 0.22 0.00 -2.23 0.00 0.00 178.31 177.18 1smk h ALA 279 N 1.04 0.61 -0.74 2.41 0.00 0.82 -2.01 119.26 121.38 1smk h ALA 279 Ca 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1smk h ALA 279 Cb 0.57 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1smk h ALA 279 CO 0.03 0.18 0.47 0.22 0.00 0.00 0.00 179.25 180.16 1smk h ASP 280 N 0.62 0.80 -0.59 0.00 3.58 0.15 -1.58 116.42 119.40 1smk h ASP 280 Ca 0.16 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.62 1smk h ASP 280 Cb 0.14 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1smk h ASP 280 CO -0.02 0.56 0.38 0.00 -2.88 0.00 0.00 179.24 177.28 1smk h ALA 281 N 1.30 0.76 -0.63 -0.78 0.00 -0.94 0.90 119.26 119.86 1smk h ALA 281 Ca 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1smk h ALA 281 Cb -0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1smk h ALA 281 CO -0.09 0.14 0.33 0.00 0.00 0.00 0.00 179.25 179.62 1smk h LEU 283 N 0.89 0.77 -1.70 0.00 3.38 -0.43 0.13 115.31 118.34 1smk h LEU 283 Ca 0.22 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1smk h LEU 283 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1smk h LEU 283 CO -0.03 1.06 -0.18 0.03 0.09 0.00 0.00 178.44 179.41 1smk h ARG 284 N 0.49 0.00 -0.14 1.13 3.08 -0.38 0.29 114.38 118.84 1smk h ARG 284 Ca 0.06 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1smk h ARG 284 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1smk h ARG 284 CO 0.07 0.18 -0.27 0.78 -1.07 0.00 0.00 179.97 179.66 1smk h GLY 285 N 0.66 0.47 2.00 0.04 0.00 -0.22 -1.36 103.07 104.66 1smk h GLY 285 Ca -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 1smk h GLY 285 CO 0.02 0.50 -0.22 1.41 0.00 0.00 0.00 176.54 178.25 1smk h LEU 286 N 0.04 0.00 -1.33 3.11 3.38 0.45 -1.28 115.31 119.68 1smk h LEU 286 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1smk h LEU 286 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1smk h LEU 286 CO 0.06 0.22 -0.33 -0.09 0.09 0.00 0.00 178.44 178.39 1smk h ARG 287 N 0.00 0.00 0.00 1.13 2.43 -0.38 -3.42 114.38 114.14 1smk h ARG 287 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1smk h ARG 287 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1smk h ARG 287 CO 0.03 0.33 0.00 0.41 -1.51 0.00 0.00 179.97 179.23 1smk n GLY 288 N -0.43 1.17 3.65 2.80 0.00 -0.54 -5.03 105.19 106.82 1smk n GLY 288 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1smk n GLY 288 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smk n ASP 289 N 0.00 1.14 -4.96 1.61 9.92 -0.53 -4.97 116.55 118.76 1smk n ASP 289 Ca 0.00 0.79 -0.22 0.00 -0.53 0.00 0.00 54.79 54.83 1smk n ASP 289 Cb 0.00 -1.45 -0.01 0.00 -0.64 0.00 0.00 41.12 39.02 1smk n ASP 289 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1smk s ALA 290 N -1.52 3.87 -1.30 2.24 0.00 -1.26 -4.55 121.76 119.24 1smk s ALA 290 Ca 0.78 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1smk s ALA 290 Cb -0.39 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1smk s ALA 290 CO 0.45 -0.01 0.06 0.41 0.00 0.00 0.00 175.76 176.67 1smk n GLY 291 N -1.70 -0.50 3.49 0.00 0.00 -1.26 -4.91 105.19 100.31 1smk n GLY 291 Ca -0.04 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.78 4.28 -0.10 1.61 1.01 -1.26 -4.98 120.40 118.18 1smk s VAL 292 Ca 0.04 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1smk s VAL 292 Cb -0.02 -4.82 -0.01 0.00 0.00 0.00 0.00 36.38 31.53 1smk s VAL 292 CO 0.04 -1.62 -0.16 -0.63 0.00 0.00 0.00 175.10 172.73 1smk s ILE 293 N 4.07 2.78 0.07 2.22 1.01 -1.26 -0.39 121.20 129.70 1smk s ILE 293 Ca 0.32 -0.78 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 1smk s ILE 293 Cb -0.09 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.30 1smk s ILE 293 CO 0.01 0.55 0.42 -1.61 0.00 0.00 0.00 174.94 174.32 1smk s GLU 294 N 0.03 0.98 0.26 2.79 0.41 -0.67 -4.94 118.70 117.55 1smk s GLU 294 Ca -0.06 -0.45 -0.20 0.00 -0.41 0.00 0.00 54.97 53.85 1smk s GLU 294 Cb -0.15 0.44 -0.09 0.00 -1.78 0.00 0.00 34.13 32.55 1smk s GLU 294 CO 0.05 -0.36 0.77 0.00 -0.49 0.00 0.00 175.26 175.23 1smk s ALA 296 N -1.61 -1.78 -0.34 0.00 0.00 -0.57 -4.47 121.76 112.98 1smk s ALA 296 Ca 0.46 1.12 -0.22 0.00 0.00 0.00 0.00 51.96 53.32 1smk s ALA 296 Cb -0.16 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1smk s ALA 296 CO 0.21 -0.52 0.74 0.12 0.00 0.00 0.00 175.76 176.30 1smk s PHE 297 N -2.21 3.15 0.21 0.00 5.36 0.26 -2.09 117.98 122.65 1smk s PHE 297 Ca -0.02 0.57 -0.06 0.00 -0.96 0.00 0.00 56.93 56.46 1smk s PHE 297 Cb -0.01 -3.26 -0.02 0.00 -0.34 0.00 0.00 43.02 39.39 1smk s PHE 297 CO -0.02 -0.64 0.26 0.14 -1.46 0.00 0.00 175.22 173.50 1smk s VAL 298 N 2.93 0.01 0.06 3.12 -7.23 -0.62 0.77 120.40 119.45 1smk s VAL 298 Ca 0.29 -1.73 -0.31 0.00 -1.81 0.00 0.00 61.98 58.42 1smk s VAL 298 Cb -0.14 -2.32 -0.07 0.00 0.56 0.00 0.00 36.38 34.42 1smk s VAL 298 CO 0.15 -0.05 1.38 -0.55 -0.31 0.00 0.00 175.10 175.72 1smk s SER 299 N -3.09 6.86 0.36 4.85 0.15 -1.26 -0.81 113.70 120.76 1smk s SER 299 Ca 0.31 2.21 -0.16 0.00 0.70 0.00 0.00 55.95 59.01 1smk s SER 299 Cb 0.04 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1smk s SER 299 CO 0.09 -0.66 0.75 -0.94 1.20 0.00 0.00 173.24 173.69 1smk s SER 300 N 1.42 -0.00 -0.09 5.45 1.04 -0.75 -4.92 113.70 115.84 1smk s SER 300 Ca 0.64 -1.05 0.13 0.00 0.48 0.00 0.00 55.95 56.15 1smk s SER 300 Cb -0.34 0.81 0.23 0.00 0.10 0.00 0.00 66.02 66.83 1smk s SER 300 CO 0.29 -1.59 1.12 0.00 0.98 0.00 0.00 173.24 174.04 1smk n GLN 301 N -0.51 0.86 0.22 4.02 6.02 -1.26 -4.52 117.38 122.19 1smk n GLN 301 Ca -0.07 -2.18 0.15 0.00 -0.01 0.00 0.00 57.00 54.90 1smk n GLN 301 Cb 0.60 -1.12 0.65 0.00 1.02 0.00 0.00 30.24 31.40 1smk n GLN 301 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1smk h VAL 302 N 2.67 0.00 -4.31 5.09 2.07 -1.91 -3.44 116.25 116.42 1smk h VAL 302 Ca -0.02 -0.32 -0.35 0.00 0.82 0.00 0.00 66.70 66.83 1smk h VAL 302 Cb 1.18 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 32.04 1smk h VAL 302 CO 0.01 0.00 -0.28 0.35 0.02 0.00 0.00 177.57 177.67 1smk n THR 303 N -2.70 0.00 0.35 2.57 -2.24 -1.26 -4.78 114.28 106.22 1smk n THR 303 Ca 0.01 -2.00 0.14 0.00 -2.27 0.00 0.00 64.05 59.93 1smk n THR 303 Cb 0.23 1.11 0.52 0.00 -2.10 0.00 0.00 70.33 70.09 1smk n THR 303 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1smk h GLU 304 N 0.00 0.00 -6.94 -0.78 3.07 -1.94 -3.45 114.58 104.54 1smk h GLU 304 Ca -0.25 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.13 1smk h GLU 304 Cb 1.16 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.07 1smk h GLU 304 CO 0.35 0.00 0.40 -0.51 -1.40 0.00 0.00 179.01 177.84 1smk s LEU 305 N -5.46 4.19 0.47 1.33 1.43 -1.26 -4.95 118.68 114.43 1smk s LEU 305 Ca 0.04 2.00 0.22 0.00 -1.03 0.00 0.00 54.13 55.35 1smk s LEU 305 Cb 0.09 -4.14 1.18 0.00 0.03 0.00 0.00 46.19 43.35 1smk s LEU 305 CO 0.52 -0.39 1.99 1.55 0.23 0.00 0.00 176.35 180.26 1smk h PRO 306 N 2.67 0.00 -5.47 1.29 0.13 -1.86 -3.43 132.00 125.33 1smk h PRO 306 Ca -0.48 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 1smk h PRO 306 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1smk h PRO 306 CO 0.63 0.19 -0.80 -0.06 -0.23 0.00 0.00 178.00 177.73 1smk s PHE 307 N -4.25 1.33 -0.17 1.56 0.08 -1.26 -1.81 117.98 113.45 1smk s PHE 307 Ca -0.03 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.34 1smk s PHE 307 Cb 0.14 -0.77 0.12 0.00 -0.57 0.00 0.00 43.02 41.94 1smk s PHE 307 CO 0.64 0.06 0.96 0.12 -0.10 0.00 0.00 175.22 176.90 1smk s PHE 308 N -0.98 -0.42 -0.07 0.36 5.36 0.01 -4.90 117.98 117.34 1smk s PHE 308 Ca 0.02 0.78 -0.17 0.00 -0.96 0.00 0.00 56.93 56.59 1smk s PHE 308 Cb -0.09 0.43 -0.05 0.00 -0.34 0.00 0.00 43.02 42.98 1smk s PHE 308 CO 0.02 -0.36 0.46 0.00 -1.46 0.00 0.00 175.22 173.88 1smk s ALA 309 N -0.91 3.55 0.27 11.12 0.00 0.18 -1.59 121.76 134.39 1smk s ALA 309 Ca -0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.57 1smk s ALA 309 Cb -0.01 -2.57 0.07 0.00 0.00 0.00 0.00 23.12 20.61 1smk s ALA 309 CO 0.01 0.17 0.94 -1.54 0.00 0.00 0.00 175.76 175.35 1smk s SER 310 N -0.01 0.03 0.23 0.00 1.04 -0.89 -1.56 113.70 112.54 1smk s SER 310 Ca 0.25 -0.91 -0.30 0.00 0.48 0.00 0.00 55.95 55.48 1smk s SER 310 Cb -0.16 0.65 -0.09 0.00 0.10 0.00 0.00 66.02 66.53 1smk s SER 310 CO 0.12 -1.30 1.13 -0.54 0.98 0.00 0.00 173.24 173.63 1smk s LYS 311 N -2.09 4.58 0.02 4.02 -0.14 -1.26 -1.52 119.74 123.35 1smk s LYS 311 Ca 0.20 1.81 0.01 0.00 -1.36 0.00 0.00 55.97 56.63 1smk s LYS 311 Cb -0.04 -3.22 -0.02 0.00 -1.68 0.00 0.00 37.83 32.88 1smk s LYS 311 CO 0.08 0.09 -0.04 0.14 -0.76 0.00 0.00 175.35 174.87 1smk s VAL 312 N -0.66 0.22 -0.12 3.17 -7.23 0.39 -0.40 120.40 115.78 1smk s VAL 312 Ca 0.48 -0.78 -0.11 0.00 -1.81 0.00 0.00 61.98 59.75 1smk s VAL 312 Cb -0.32 -0.32 -0.05 0.00 0.56 0.00 0.00 36.38 36.26 1smk s VAL 312 CO 0.39 -0.36 0.24 -0.60 -0.31 0.00 0.00 175.10 174.46 1smk s ARG 313 N -1.20 3.90 -0.15 4.82 3.52 -0.15 -1.67 118.95 128.02 1smk s ARG 313 Ca -0.11 0.04 -0.05 0.00 -0.13 0.00 0.00 55.73 55.48 1smk s ARG 313 Cb -0.08 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1smk s ARG 313 CO -0.00 0.52 0.03 -0.51 -0.81 0.00 0.00 175.30 174.53 1smk s LEU 314 N -0.37 3.65 0.00 -0.88 1.43 0.48 -1.17 118.68 121.82 1smk s LEU 314 Ca 0.16 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1smk s LEU 314 Cb -0.13 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1smk s LEU 314 CO 0.05 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1smk n GLY 315 N 3.11 6.25 0.31 -3.19 0.00 0.17 -4.45 105.19 107.39 1smk n GLY 315 Ca -0.17 -1.66 0.16 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.14 1.61 3.08 -1.66 -2.61 114.38 114.66 1smk h ARG 316 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1smk h ARG 316 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1smk h ARG 316 CO 0.00 0.00 -0.29 0.09 -1.07 0.00 0.00 179.97 178.70 1smk n ASN 317 N -3.83 2.10 0.00 7.04 4.13 -1.26 -4.74 115.26 118.70 1smk n ASN 317 Ca -0.01 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.46 1smk n ASN 317 Cb 0.17 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 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 -1.13 0.89 3.65 7.41 0.00 -0.99 -4.54 105.19 110.48 1smk n GLY 318 Ca 0.24 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 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 4.02 -0.17 -0.61 1.01 0.12 0.46 121.20 126.02 1smk s ILE 319 Ca 0.00 1.22 0.22 0.00 0.00 0.00 0.00 60.65 62.09 1smk s ILE 319 Cb 0.00 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.52 1smk s ILE 319 CO 0.00 -0.18 0.87 -0.62 0.00 0.00 0.00 174.94 175.01 1smk n GLU 320 N 6.95 0.62 -3.64 2.79 -0.58 -0.31 -4.80 120.64 121.67 1smk n GLU 320 Ca 0.15 0.04 -0.05 0.00 -0.42 0.00 0.00 57.16 56.88 1smk n GLU 320 Cb 0.45 -1.74 -0.07 0.00 -0.57 0.00 0.00 31.44 29.50 1smk n GLU 320 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1smk s GLU 321 N -3.37 0.36 -0.25 3.49 2.12 -1.21 -4.99 118.70 114.85 1smk s GLU 321 Ca -0.03 0.49 -0.10 0.00 0.36 0.00 0.00 54.97 55.70 1smk s GLU 321 Cb 0.11 0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 1smk s GLU 321 CO 0.82 -0.05 0.14 0.08 -0.54 0.00 0.00 175.26 175.71 1smk s VAL 322 N 0.58 5.02 0.43 3.70 1.01 -1.26 -0.98 120.40 128.89 1smk s VAL 322 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1smk s VAL 322 Cb -0.04 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1smk s VAL 322 CO -0.11 0.32 0.75 -0.31 0.00 0.00 0.00 175.10 175.75 1smk s TYR 323 N 1.39 3.52 1.05 5.22 2.02 0.47 -4.99 117.35 126.04 1smk s TYR 323 Ca 0.06 0.86 -0.12 0.00 -0.37 0.00 0.00 57.07 57.50 1smk s TYR 323 Cb -0.15 -2.32 0.22 0.00 -0.40 0.00 0.00 41.96 39.32 1smk s TYR 323 CO 0.06 -0.16 1.07 0.45 -1.57 0.00 0.00 175.55 175.40 1smk s SER 324 N -3.68 1.97 0.39 2.29 0.15 -1.26 -4.41 113.70 109.15 1smk s SER 324 Ca 0.48 1.56 0.21 0.00 0.70 0.00 0.00 55.95 58.90 1smk s SER 324 Cb -0.10 -2.24 0.47 0.00 -1.71 0.00 0.00 66.02 62.44 1smk s SER 324 CO 0.38 -3.59 1.64 -0.07 1.20 0.00 0.00 173.24 172.79 1smk h LEU 325 N -2.21 0.00 0.00 3.45 3.38 -1.97 -3.42 115.31 114.54 1smk h LEU 325 Ca -0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1smk h LEU 325 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1smk h LEU 325 CO 0.51 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1smk n GLY 326 N 0.82 -1.13 3.73 0.83 0.00 -1.26 -4.83 105.19 103.34 1smk n GLY 326 Ca 0.02 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 4.69 0.01 1.61 0.04 -1.26 -5.06 135.00 135.03 1smk s PRO 327 Ca 0.00 1.48 0.06 0.00 0.04 0.00 0.00 61.00 62.58 1smk s PRO 327 Cb 0.00 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 1smk s PRO 327 CO 0.00 0.20 -0.18 -0.51 0.04 0.00 0.00 177.00 176.56 1smk s LEU 328 N -0.06 2.09 0.83 -3.56 1.02 -1.26 -4.87 118.68 112.87 1smk s LEU 328 Ca 0.47 -0.39 -0.10 0.00 0.02 0.00 0.00 54.13 54.13 1smk s LEU 328 Cb -0.24 -0.87 0.14 0.00 0.02 0.00 0.00 46.19 45.24 1smk s LEU 328 CO 0.30 0.17 1.16 0.54 0.02 0.00 0.00 176.35 178.55 1smk s ASN 329 N -0.73 3.95 0.21 2.29 2.20 -1.26 -4.71 114.94 116.89 1smk s ASN 329 Ca 0.06 0.25 -0.13 0.00 -0.94 0.00 0.00 52.86 52.10 1smk s ASN 329 Cb -0.07 -0.56 0.25 0.00 -2.00 0.00 0.00 41.25 38.86 1smk s ASN 329 CO 0.00 -2.18 1.65 -0.33 -2.94 0.00 0.00 177.10 173.30 1smk h GLU 330 N -1.09 0.05 -0.02 3.55 5.08 -2.01 0.34 114.58 120.47 1smk h GLU 330 Ca -0.43 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1smk h GLU 330 Cb 1.27 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1smk h GLU 330 CO 0.47 0.03 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.47 1smk h TYR 331 N 0.05 -0.32 -0.35 4.33 3.20 -1.99 0.29 116.97 122.18 1smk h TYR 331 Ca 0.30 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 1smk h TYR 331 Cb 0.47 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 1smk h TYR 331 CO -0.43 -0.19 -0.02 0.93 -1.64 0.00 0.00 178.16 176.82 1smk h GLU 332 N -0.20 0.56 -0.60 1.82 5.08 -1.67 -1.19 114.58 118.38 1smk h GLU 332 Ca 0.05 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1smk h GLU 332 Cb 0.27 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1smk h GLU 332 CO -0.14 0.60 0.17 0.00 -1.00 0.00 0.00 179.01 178.64 1smk h ARG 333 N 0.53 0.93 -0.17 2.33 3.08 0.43 0.39 114.38 121.88 1smk h ARG 333 Ca 0.11 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1smk h ARG 333 Cb 0.37 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1smk h ARG 333 CO 0.01 0.81 -0.48 0.82 -1.07 0.00 0.00 179.97 180.06 1smk h ILE 334 N 0.89 1.32 -0.07 2.04 2.04 -0.15 -2.52 117.51 121.06 1smk h ILE 334 Ca 0.20 -1.70 -0.18 0.00 1.00 0.00 0.00 64.86 64.17 1smk h ILE 334 Cb 0.29 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1smk h ILE 334 CO -0.00 0.52 -0.74 1.23 0.00 0.00 0.00 178.15 179.16 1smk h GLY 335 N 1.15 0.40 0.97 5.37 0.00 -0.63 -3.00 103.07 107.33 1smk h GLY 335 Ca 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1smk h GLY 335 CO 0.09 0.51 0.23 -2.00 0.00 0.00 0.00 176.54 175.36 1smk h LEU 336 N 0.24 0.53 -0.76 3.11 5.85 -0.06 -0.35 115.31 123.87 1smk h LEU 336 Ca -0.03 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1smk h LEU 336 Cb 1.31 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1smk h LEU 336 CO 0.12 0.47 0.47 -0.08 -0.34 0.00 0.00 178.44 179.08 1smk h GLU 337 N 0.55 0.87 -0.42 1.25 4.57 -1.45 0.14 114.58 120.08 1smk h GLU 337 Ca 0.15 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1smk h GLU 337 Cb 0.06 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1smk h GLU 337 CO -0.02 0.57 0.18 0.87 -1.18 0.00 0.00 179.01 179.43 1smk h LYS 338 N 0.89 0.62 -0.76 1.92 1.57 -1.32 -2.18 116.57 117.31 1smk h LYS 338 Ca 0.32 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1smk h LYS 338 Cb 0.09 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1smk h LYS 338 CO -0.14 0.57 0.50 0.00 -0.57 0.00 0.00 179.45 179.80 1smk h ALA 339 N 1.02 0.96 -0.24 3.86 0.00 -0.07 -2.78 119.26 122.02 1smk h ALA 339 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1smk h ALA 339 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1smk h ALA 339 CO -0.01 0.38 0.05 0.87 0.00 0.00 0.00 179.25 180.54 1smk h LYS 340 N 1.03 0.39 -0.32 0.00 1.57 -0.84 -0.08 116.57 118.32 1smk h LYS 340 Ca 0.28 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1smk h LYS 340 Cb -0.11 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1smk h LYS 340 CO -0.06 0.51 0.14 0.87 -0.57 0.00 0.00 179.45 180.33 1smk h LYS 341 N 0.21 0.44 0.12 3.15 1.57 -1.27 -1.75 116.57 119.04 1smk h LYS 341 Ca 0.07 -0.05 -0.32 0.00 -1.87 0.00 0.00 60.65 58.49 1smk h LYS 341 Cb 0.30 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1smk h LYS 341 CO 0.00 0.36 -1.65 1.49 -0.57 0.00 0.00 179.45 179.08 1smk h GLU 342 N 0.44 0.26 -0.79 3.15 4.81 -1.42 -3.35 114.58 117.68 1smk h GLU 342 Ca 0.11 -0.45 0.01 0.00 -0.13 0.00 0.00 59.36 58.90 1smk h GLU 342 Cb 0.08 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1smk h GLU 342 CO -0.01 1.12 0.52 1.25 -0.73 0.00 0.00 179.01 181.16 1smk h LEU 343 N 0.07 0.90 -0.67 1.64 5.85 -0.75 -2.75 115.31 119.60 1smk h LEU 343 Ca -0.29 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.55 1smk h LEU 343 Cb 2.04 -0.23 -0.11 0.00 0.37 0.00 0.00 40.66 42.73 1smk h LEU 343 CO 0.15 0.65 0.05 0.00 -0.34 0.00 0.00 178.44 178.95 1smk h ALA 344 N 1.29 0.73 -0.39 1.25 0.00 -1.46 0.47 119.26 121.15 1smk h ALA 344 Ca 0.29 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 1smk h ALA 344 Cb -0.12 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1smk h ALA 344 CO -0.06 -0.38 -0.20 0.78 0.00 0.00 0.00 179.25 179.38 1smk h GLY 345 N 0.16 0.81 1.59 0.00 0.00 -1.66 -1.78 103.07 102.19 1smk h GLY 345 Ca 0.36 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1smk h GLY 345 CO -0.54 0.61 -0.13 1.76 0.00 0.00 0.00 176.54 178.23 1smk h SER 346 N 0.66 0.48 -0.05 0.19 0.02 -0.91 -1.06 113.55 112.88 1smk h SER 346 Ca 0.10 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1smk h SER 346 Cb 0.70 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1smk h SER 346 CO 0.05 0.64 -0.12 0.40 -1.14 0.00 0.00 176.83 176.67 1smk h ILE 347 N 0.45 1.44 -0.17 3.27 2.04 -0.73 -2.94 117.51 120.88 1smk h ILE 347 Ca 0.08 -1.48 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 1smk h ILE 347 Cb 0.51 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1smk h ILE 347 CO 0.03 0.41 -0.04 -0.08 0.00 0.00 0.00 178.15 178.47 1smk h GLU 348 N -0.37 0.26 -0.32 2.37 4.57 -1.21 0.12 114.58 119.99 1smk h GLU 348 Ca -0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1smk h GLU 348 Cb 0.72 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1smk h GLU 348 CO 0.03 0.31 0.19 -0.22 -1.18 0.00 0.00 179.01 178.14 1smk h LYS 349 N 0.25 0.44 -0.16 1.92 3.64 -1.18 0.49 116.57 121.97 1smk h LYS 349 Ca 0.06 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1smk h LYS 349 Cb 0.24 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1smk h LYS 349 CO 0.01 0.34 -0.26 0.78 -2.27 0.00 0.00 179.45 178.04 1smk h GLY 350 N 0.41 0.50 0.73 5.01 0.00 -1.15 -1.87 103.07 106.70 1smk h GLY 350 Ca 0.12 -0.57 0.05 0.00 0.00 0.00 0.00 47.33 46.93 1smk h GLY 350 CO -0.02 0.51 0.39 -2.08 0.00 0.00 0.00 176.54 175.34 1smk h VAL 351 N 0.08 1.00 0.00 4.60 2.07 -0.70 -2.38 116.25 120.92 1smk h VAL 351 Ca 0.01 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1smk h VAL 351 Cb 0.85 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1smk h VAL 351 CO 0.06 0.13 -0.42 -1.28 0.02 0.00 0.00 177.57 176.08 1smk h SER 352 N 0.74 0.00 0.22 0.57 0.87 -0.88 -1.88 113.55 113.19 1smk h SER 352 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1smk h SER 352 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1smk h SER 352 CO -0.16 0.42 0.00 0.15 -0.53 0.00 0.00 176.83 176.71 1smk h PHE 353 N 0.00 0.00 0.00 2.24 3.57 -0.78 -2.60 116.94 119.37 1smk h PHE 353 Ca -0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1smk h PHE 353 Cb 0.77 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 1smk h PHE 353 CO 0.00 0.00 -1.63 -0.89 -2.23 0.00 0.00 178.31 173.56 1smk n ILE 354 N -2.84 0.63 1.51 1.41 2.08 -1.08 -4.59 119.36 116.48 1smk n ILE 354 Ca -0.02 -0.24 0.13 0.00 0.56 0.00 0.00 62.75 63.18 1smk n ILE 354 Cb 0.11 -0.93 0.73 0.00 -0.75 0.00 0.00 39.64 38.81 1smk n ILE 354 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1smk n ARG 355 N -2.85 0.70 0.00 0.38 1.74 -0.73 -5.06 116.66 110.83 1smk n ARG 355 Ca -0.20 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.02 1smk n ARG 355 Cb 0.71 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.75 1smk n ARG 355 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54