#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 3.08 -0.22 1.61 0.08 -0.70 -4.75 117.98 117.08 1smk s PHE 45 Ca 0.00 0.07 -0.09 0.00 0.12 0.00 0.00 56.93 57.03 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 0.47 0.12 0.15 -0.10 0.00 0.00 175.22 175.87 1smk s LYS 46 N -1.73 4.04 0.06 0.44 1.02 -1.26 -0.15 119.74 122.16 1smk s LYS 46 Ca 0.21 -0.29 0.07 0.00 0.02 0.00 0.00 55.97 55.98 1smk s LYS 46 Cb -0.12 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 1smk s LYS 46 CO 0.12 0.14 -0.20 0.08 -0.92 0.00 0.00 175.35 174.57 1smk s VAL 47 N 0.80 1.62 0.00 3.17 1.01 0.11 -0.78 120.40 126.33 1smk s VAL 47 Ca 0.06 -1.30 0.06 0.00 0.00 0.00 0.00 61.98 60.80 1smk s VAL 47 Cb -0.13 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1smk s VAL 47 CO 0.02 0.09 -0.18 0.00 0.00 0.00 0.00 175.10 175.03 1smk s ALA 48 N -0.94 1.49 -0.26 5.51 0.00 -0.43 -0.40 121.76 126.73 1smk s ALA 48 Ca 0.06 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1smk s ALA 48 Cb -0.09 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.73 1smk s ALA 48 CO 0.03 0.35 -0.08 0.42 0.00 0.00 0.00 175.76 176.48 1smk s ILE 49 N -0.53 2.50 -0.26 0.00 1.01 -0.04 -0.38 121.20 123.50 1smk s ILE 49 Ca 0.06 -1.40 -0.22 0.00 0.00 0.00 0.00 60.65 59.09 1smk s ILE 49 Cb -0.07 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 1smk s ILE 49 CO -0.00 0.04 0.73 -0.76 0.00 0.00 0.00 174.94 174.95 1smk s LEU 50 N 1.20 4.08 0.00 2.97 1.43 0.03 -0.83 118.68 127.56 1smk s LEU 50 Ca -0.05 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1smk s LEU 50 Cb -0.19 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1smk s LEU 50 CO -0.05 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 176.68 1smk n GLY 51 N 4.01 0.92 0.25 -3.19 0.00 0.23 -1.88 105.19 105.53 1smk n GLY 51 Ca 0.02 -0.27 0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.00 4.61 0.00 -0.38 -2.98 119.26 121.50 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 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1smk h ALA 52 CO 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 179.25 179.01 1smk n ALA 53 N -2.03 2.99 -1.22 0.00 0.00 -1.26 -1.00 120.51 117.98 1smk n ALA 53 Ca 0.01 -0.29 -0.20 0.00 0.00 0.00 0.00 53.44 52.97 1smk n ALA 53 Cb 0.31 -1.26 0.24 0.00 0.00 0.00 0.00 19.45 18.74 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 1.40 -2.53 0.22 0.00 0.00 -1.13 -4.64 105.19 98.52 1smk n GLY 54 Ca 0.10 -1.53 0.01 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.51 0.26 0.46 -0.02 0.00 -1.91 -1.45 103.07 97.89 1smk h GLY 55 Ca -0.41 -0.19 -0.33 0.00 0.00 0.00 0.00 47.33 46.40 1smk h GLY 55 CO 0.27 0.17 -1.77 -2.22 0.00 0.00 0.00 176.54 173.00 1smk h ILE 56 N 0.22 0.73 -0.15 2.60 2.04 -1.89 -3.40 117.51 117.66 1smk h ILE 56 Ca 0.04 -2.31 0.04 0.00 1.00 0.00 0.00 64.86 63.63 1smk h ILE 56 Cb 0.54 2.45 -0.07 0.00 -0.74 0.00 0.00 36.82 39.00 1smk h ILE 56 CO 0.04 0.73 -0.43 1.23 0.00 0.00 0.00 178.15 179.72 1smk h GLY 57 N 0.47 -0.74 0.13 5.37 0.00 -1.64 -2.05 103.07 104.61 1smk h GLY 57 Ca -0.40 0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.48 1smk h GLY 57 CO 0.01 -0.22 -0.39 1.46 0.00 0.00 0.00 176.54 177.40 1smk h GLN 58 N -0.49 -0.57 -0.09 4.80 4.20 0.05 0.84 115.11 123.85 1smk h GLN 58 Ca 0.07 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1smk h GLN 58 Cb 0.63 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 1smk h GLN 58 CO -0.41 -0.38 0.06 -1.00 -0.67 0.00 0.00 178.83 176.43 1smk h PRO 59 N -0.59 0.00 -0.24 1.46 0.13 -1.76 0.83 132.00 131.83 1smk h PRO 59 Ca -0.01 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1smk h PRO 59 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1smk h PRO 59 CO -0.19 0.00 -0.04 1.25 -0.23 0.00 0.00 178.00 178.79 1smk h LEU 60 N 0.00 0.45 -0.58 1.56 5.85 -0.51 -1.09 115.31 120.99 1smk h LEU 60 Ca 0.04 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1smk h LEU 60 Cb 0.17 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1smk h LEU 60 CO -0.00 0.70 0.34 0.00 -0.34 0.00 0.00 178.44 179.14 1smk h ALA 61 N 0.77 0.74 -0.50 1.25 0.00 0.20 -1.35 119.26 120.37 1smk h ALA 61 Ca 0.06 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1smk h ALA 61 Cb 0.49 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1smk h ALA 61 CO 0.02 0.24 0.23 1.98 0.00 0.00 0.00 179.25 181.71 1smk h MET 62 N 0.78 0.43 -0.49 0.00 1.85 -0.68 -1.54 114.93 115.28 1smk h MET 62 Ca 0.21 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.23 1smk h MET 62 Cb 0.01 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.92 1smk h MET 62 CO -0.04 0.28 0.13 -0.07 -0.40 0.00 0.00 176.91 176.81 1smk h LEU 63 N 0.44 0.73 -0.85 3.39 3.38 -0.75 -2.98 115.31 118.68 1smk h LEU 63 Ca 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1smk h LEU 63 Cb 0.18 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1smk h LEU 63 CO -0.19 0.77 0.50 0.24 0.09 0.00 0.00 178.44 179.85 1smk h MET 64 N 0.66 1.16 -0.80 1.13 2.86 -0.89 -0.67 114.93 118.39 1smk h MET 64 Ca 0.15 -0.11 0.14 0.00 -2.06 0.00 0.00 59.70 57.82 1smk h MET 64 Cb 0.32 -0.24 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 1smk h MET 64 CO 0.00 0.82 0.53 -0.22 1.06 0.00 0.00 176.91 179.10 1smk h LYS 65 N 1.17 0.55 0.00 1.72 1.63 -1.17 0.13 116.57 120.60 1smk h LYS 65 Ca 0.30 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1smk h LYS 65 Cb -0.02 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1smk h LYS 65 CO -0.05 0.36 0.00 -1.33 -3.45 0.00 0.00 179.45 174.98 1smk n MET 66 N -4.51 0.23 -2.54 1.90 2.81 -0.29 -4.22 117.12 110.51 1smk n MET 66 Ca 0.15 0.27 -0.43 0.00 -1.81 0.00 0.00 57.70 55.88 1smk n MET 66 Cb 0.47 -1.82 -0.02 0.00 -0.71 0.00 0.00 33.22 31.14 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 -4.40 6.90 0.35 7.83 3.84 0.45 -4.92 114.94 125.00 1smk s ASN 67 Ca 0.09 1.31 0.25 0.00 0.21 0.00 0.00 52.86 54.72 1smk s ASN 67 Cb 0.12 -2.54 1.26 0.00 -0.55 0.00 0.00 41.25 39.54 1smk s ASN 67 CO 0.53 -0.86 1.77 1.55 -2.79 0.00 0.00 177.10 177.30 1smk h PRO 68 N 8.29 0.00 -0.01 0.43 0.13 -1.86 -0.90 132.00 138.08 1smk h PRO 68 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1smk h PRO 68 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1smk h PRO 68 CO 1.01 0.00 -0.05 1.28 -0.23 0.00 0.00 178.00 180.00 1smk n LEU 69 N -2.39 0.67 -4.47 1.56 4.77 -1.26 -4.72 117.00 111.15 1smk n LEU 69 Ca -0.00 -0.15 -0.39 0.00 -0.03 0.00 0.00 56.01 55.43 1smk n LEU 69 Cb 0.11 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 1smk n LEU 69 CO 0.15 0.12 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.45 1smk s VAL 70 N -2.21 4.82 -0.19 4.08 1.01 -0.34 -1.71 120.40 125.86 1smk s VAL 70 Ca 0.36 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 1smk s VAL 70 Cb 0.21 -3.44 -0.21 0.00 0.00 0.00 0.00 36.38 32.93 1smk s VAL 70 CO 0.41 0.07 0.12 -1.54 0.00 0.00 0.00 175.10 174.16 1smk n SER 71 N 5.02 2.02 -4.11 3.32 3.41 0.79 -3.09 113.62 120.98 1smk n SER 71 Ca -0.14 0.19 -0.28 0.00 -0.26 0.00 0.00 58.87 58.38 1smk n SER 71 Cb 0.50 -0.78 -0.17 0.00 -0.26 0.00 0.00 64.21 63.50 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 -2.50 1.57 -0.24 -3.33 1.01 -1.14 -0.62 120.40 115.15 1smk s VAL 72 Ca -0.28 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1smk s VAL 72 Cb 0.08 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 35.12 1smk s VAL 72 CO 0.66 0.45 -0.09 -0.22 0.00 0.00 0.00 175.10 175.91 1smk s LEU 73 N 0.56 2.89 -0.30 3.92 2.96 0.15 0.07 118.68 128.94 1smk s LEU 73 Ca -0.16 -1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 52.43 1smk s LEU 73 Cb -0.17 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1smk s LEU 73 CO 0.05 -0.19 0.20 -1.00 -1.32 0.00 0.00 176.35 174.09 1smk s HIS 74 N 1.26 3.22 -0.29 5.38 3.76 0.46 -1.70 115.29 127.39 1smk s HIS 74 Ca -0.06 -0.01 -0.10 0.00 -0.15 0.00 0.00 55.06 54.74 1smk s HIS 74 Cb -0.19 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 1smk s HIS 74 CO -0.06 -0.23 0.15 -0.51 -0.85 0.00 0.00 174.74 173.24 1smk s LEU 75 N 1.74 3.94 0.15 0.89 1.43 -0.62 -0.86 118.68 125.35 1smk s LEU 75 Ca 0.07 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1smk s LEU 75 Cb -0.16 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1smk s LEU 75 CO 0.11 -0.11 -0.14 -0.47 0.23 0.00 0.00 176.35 175.97 1smk s TYR 76 N 1.67 2.58 -0.08 0.29 5.04 -0.01 -1.43 117.35 125.42 1smk s TYR 76 Ca 0.06 -0.24 -0.31 0.00 -2.44 0.00 0.00 57.07 54.14 1smk s TYR 76 Cb -0.16 -1.31 0.12 0.00 0.35 0.00 0.00 41.96 40.96 1smk s TYR 76 CO 0.08 0.46 1.38 0.34 -1.34 0.00 0.00 175.55 176.47 1smk s ASP 77 N -2.53 -0.01 0.00 4.32 -1.08 -1.07 0.75 116.67 117.06 1smk s ASP 77 Ca 0.22 -0.05 0.22 0.00 -0.52 0.00 0.00 52.55 52.42 1smk s ASP 77 Cb -0.10 0.04 -0.08 0.00 -1.46 0.00 0.00 42.92 41.33 1smk s ASP 77 CO 0.13 -0.09 1.00 1.33 0.52 0.00 0.00 175.17 178.06 1smk n VAL 78 N -0.74 0.00 -3.79 1.11 0.24 -1.26 -0.90 118.33 112.99 1smk n VAL 78 Ca -0.02 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.34 62.15 1smk n VAL 78 Cb 0.61 0.81 -0.08 0.00 -1.47 0.00 0.00 33.84 33.70 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 -3.02 0.09 0.00 3.34 -7.23 -1.26 -4.44 120.40 107.88 1smk s VAL 79 Ca 0.08 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 1smk s VAL 79 Cb 0.16 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1smk s VAL 79 CO 0.84 -0.39 0.00 0.59 -0.31 0.00 0.00 175.10 175.83 1smk n ASN 80 N 0.83 -1.29 -0.13 4.85 3.02 -1.26 -4.61 115.26 116.67 1smk n ASN 80 Ca -0.20 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.29 1smk n ASN 80 Cb 0.58 -1.92 -0.01 0.00 -0.61 0.00 0.00 39.78 37.83 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 0.00 -0.11 -0.85 5.41 0.00 -1.87 -1.24 119.26 120.60 1smk h ALA 81 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1smk h ALA 81 Cb 0.22 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1smk h ALA 81 CO 0.00 -0.69 0.49 -1.35 0.00 0.00 0.00 179.25 177.70 1smk h PRO 82 N -0.22 0.76 -0.24 0.00 0.11 -1.88 0.51 132.00 131.05 1smk h PRO 82 Ca 0.19 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1smk h PRO 82 Cb 0.52 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1smk h PRO 82 CO -0.55 0.51 0.06 0.78 -0.21 0.00 0.00 178.00 178.59 1smk h GLY 83 N 0.79 0.41 1.24 -0.55 0.00 -1.74 0.14 103.07 103.35 1smk h GLY 83 Ca 0.42 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 1smk h GLY 83 CO -0.27 0.24 0.22 -2.08 0.00 0.00 0.00 176.54 174.65 1smk h VAL 84 N 0.21 1.24 -0.17 4.60 2.07 -0.80 -2.44 116.25 120.95 1smk h VAL 84 Ca 0.07 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1smk h VAL 84 Cb 0.27 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1smk h VAL 84 CO 0.00 0.31 0.02 0.74 0.02 0.00 0.00 177.57 178.66 1smk h THR 85 N 0.94 1.23 -0.81 2.57 2.02 -0.67 -1.93 112.91 116.25 1smk h THR 85 Ca 0.21 -0.76 0.09 0.00 0.77 0.00 0.00 66.41 66.73 1smk h THR 85 Cb 0.24 1.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 1smk h THR 85 CO -0.01 0.23 0.46 0.00 0.37 0.00 0.00 175.52 176.57 1smk h ALA 86 N 0.80 1.15 0.18 6.16 0.00 -0.73 0.12 119.26 126.94 1smk h ALA 86 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1smk h ALA 86 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1smk h ALA 86 CO 0.00 0.08 -0.09 0.22 0.00 0.00 0.00 179.25 179.47 1smk h ASP 87 N 0.77 -0.20 0.14 0.00 1.82 -1.27 -3.06 116.42 114.61 1smk h ASP 87 Ca 0.39 -0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.91 1smk h ASP 87 Cb 0.36 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 1smk h ASP 87 CO -0.25 -0.10 -0.29 0.40 -1.61 0.00 0.00 179.24 177.40 1smk h ILE 88 N -0.30 1.25 0.00 2.25 2.04 -0.78 -3.04 117.51 118.93 1smk h ILE 88 Ca -0.02 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 1smk h ILE 88 Cb 0.23 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1smk h ILE 88 CO 0.04 0.36 -0.01 0.77 0.00 0.00 0.00 178.15 179.32 1smk h SER 89 N 0.21 0.00 1.19 1.72 4.64 -0.68 -1.95 113.55 118.69 1smk h SER 89 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1smk h SER 89 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1smk h SER 89 CO 0.04 0.01 0.00 1.41 -0.87 0.00 0.00 176.83 177.42 1smk n HIS 90 N -3.34 0.64 -2.10 4.77 8.25 -1.15 -4.81 115.22 117.47 1smk n HIS 90 Ca -0.03 0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 1smk n HIS 90 Cb 0.09 -0.82 -0.03 0.00 1.12 0.00 0.00 29.99 30.35 1smk n HIS 90 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1smk s MET 91 N -3.10 4.30 -1.00 -0.41 1.00 -0.73 -4.89 119.30 114.47 1smk s MET 91 Ca 0.10 2.17 -0.08 0.00 0.00 0.00 0.00 55.69 57.88 1smk s MET 91 Cb 0.13 -3.20 -0.12 0.00 0.00 0.00 0.00 34.83 31.64 1smk s MET 91 CO 0.53 -0.44 3.12 -0.40 0.00 0.00 0.00 175.02 177.82 1smk n ASP 92 N 3.51 7.42 -4.73 3.03 5.75 -1.26 -4.88 116.55 125.39 1smk n ASP 92 Ca 0.10 -2.63 -0.26 0.00 -0.01 0.00 0.00 54.79 52.00 1smk n ASP 92 Cb 0.41 -1.48 -0.07 0.00 -1.03 0.00 0.00 41.12 38.95 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 1.22 2.16 0.10 2.12 -4.23 -1.26 -5.08 115.64 110.68 1smk s THR 93 Ca 0.67 -1.74 -0.22 0.00 -1.18 0.00 0.00 61.69 59.22 1smk s THR 93 Cb 0.24 -2.91 -0.12 0.00 1.34 0.00 0.00 72.50 71.05 1smk s THR 93 CO -0.05 0.00 1.75 1.23 -0.54 0.00 0.00 174.62 177.00 1smk h GLY 94 N 1.43 0.08 -4.38 3.99 0.00 -1.89 -3.45 103.07 98.84 1smk h GLY 94 Ca -0.43 -0.02 -0.57 0.00 0.00 0.00 0.00 47.33 46.31 1smk h GLY 94 CO 0.71 0.02 0.60 0.00 0.00 0.00 0.00 176.54 177.87 1smk n ALA 95 N -2.13 1.38 -2.73 3.60 0.00 -1.18 -4.93 120.51 114.54 1smk n ALA 95 Ca -0.06 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.41 1smk n ALA 95 Cb 0.04 -2.29 -0.07 0.00 0.00 0.00 0.00 19.45 17.12 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 -0.53 5.35 0.01 0.00 1.01 0.21 -4.90 120.40 121.55 1smk s VAL 96 Ca 0.62 0.39 0.06 0.00 0.00 0.00 0.00 61.98 63.05 1smk s VAL 96 Cb -0.59 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1smk s VAL 96 CO 0.55 0.41 -0.17 0.54 0.00 0.00 0.00 175.10 176.43 1smk s VAL 97 N 0.41 2.81 0.00 2.92 0.11 -1.26 0.34 120.40 125.74 1smk s VAL 97 Ca 0.13 -1.04 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 1smk s VAL 97 Cb -0.12 -2.15 -0.01 0.00 -1.53 0.00 0.00 36.38 32.57 1smk s VAL 97 CO 0.01 0.43 -0.07 -0.13 -3.33 0.00 0.00 175.10 172.01 1smk s ARG 98 N -1.17 0.57 -0.10 1.54 1.81 -0.69 -4.95 118.95 115.96 1smk s ARG 98 Ca 0.13 -0.35 -0.05 0.00 -1.72 0.00 0.00 55.73 53.75 1smk s ARG 98 Cb -0.10 -0.52 -0.04 0.00 -0.45 0.00 0.00 34.95 33.84 1smk s ARG 98 CO 0.03 0.14 0.08 0.20 -0.68 0.00 0.00 175.30 175.07 1smk s GLY 99 N -0.44 2.03 -0.08 -3.53 0.00 -1.26 -1.59 107.32 102.45 1smk s GLY 99 Ca 0.01 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.03 1smk s GLY 99 CO -0.00 -0.47 -0.12 -1.36 0.00 0.00 0.00 173.10 171.14 1smk s PHE 100 N -0.98 1.57 -0.09 1.90 0.40 -0.51 -4.89 117.98 115.37 1smk s PHE 100 Ca 0.15 -0.63 0.04 0.00 -0.60 0.00 0.00 56.93 55.88 1smk s PHE 100 Cb -0.12 -1.16 -0.00 0.00 0.51 0.00 0.00 43.02 42.25 1smk s PHE 100 CO 0.04 -0.34 -0.23 -1.17 0.70 0.00 0.00 175.22 174.22 1smk s LEU 101 N 0.83 2.14 0.00 -0.37 2.96 -1.26 -2.61 118.68 120.37 1smk s LEU 101 Ca -0.11 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1smk s LEU 101 Cb -0.15 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.12 1smk s LEU 101 CO 0.02 0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.83 1smk n GLY 102 N 3.40 -1.55 0.23 7.98 0.00 -0.08 -3.87 105.19 111.30 1smk n GLY 102 Ca -0.19 -1.56 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 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 0.53 -0.76 1.61 5.75 -1.95 -2.90 115.11 117.39 1smk h GLN 103 Ca 0.00 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1smk h GLN 103 Cb 0.00 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 1smk h GLN 103 CO 0.00 0.35 0.42 -0.56 -2.65 0.00 0.00 178.83 176.39 1smk h GLN 104 N 0.54 1.06 -0.95 1.69 -0.00 -2.00 -2.64 115.11 112.81 1smk h GLN 104 Ca 0.27 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.65 58.75 1smk h GLN 104 Cb 0.21 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.48 27.45 1smk h GLN 104 CO -0.20 0.78 0.06 1.04 -0.00 0.00 0.00 178.83 180.52 1smk n GLN 105 N -4.45 1.56 0.04 0.06 6.02 -1.10 -4.16 117.38 115.36 1smk n GLN 105 Ca 0.07 -0.65 -0.22 0.00 -0.01 0.00 0.00 57.00 56.19 1smk n GLN 105 Cb 0.09 -1.47 -0.14 0.00 1.02 0.00 0.00 30.24 29.74 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 0.92 0.52 -0.98 1.08 5.85 -1.48 -3.26 115.31 117.96 1smk h LEU 106 Ca 0.06 -0.91 -0.07 0.00 0.84 0.00 0.00 57.88 57.80 1smk h LEU 106 Cb 1.09 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1smk h LEU 106 CO 0.16 1.75 -0.05 -0.33 -0.34 0.00 0.00 178.44 179.64 1smk h GLU 107 N -0.03 0.69 -0.89 1.25 5.08 -1.80 -1.55 114.58 117.34 1smk h GLU 107 Ca -0.34 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 57.86 1smk h GLU 107 Cb 1.98 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 31.11 1smk h GLU 107 CO 0.13 0.74 0.58 0.00 -1.00 0.00 0.00 179.01 179.46 1smk h ALA 108 N 1.31 1.44 -0.03 3.43 0.00 -1.83 -0.79 119.26 122.78 1smk h ALA 108 Ca 0.12 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1smk h ALA 108 Cb 0.47 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1smk h ALA 108 CO 0.02 0.48 -0.73 0.00 0.00 0.00 0.00 179.25 179.01 1smk h ALA 109 N 1.48 0.70 0.21 0.00 0.00 -1.38 -3.35 119.26 116.93 1smk h ALA 109 Ca 0.35 -0.63 -0.30 0.00 0.00 0.00 0.00 54.91 54.33 1smk h ALA 109 Cb 0.01 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.75 1smk h ALA 109 CO -0.10 0.82 -1.34 -0.07 0.00 0.00 0.00 179.25 178.56 1smk h LEU 110 N 0.13 0.71 -9.37 0.00 3.38 -0.62 -3.45 115.31 106.09 1smk h LEU 110 Ca -0.02 -0.93 -0.64 0.00 0.09 0.00 0.00 57.88 56.38 1smk h LEU 110 Cb 1.30 -0.23 0.06 0.00 0.09 0.00 0.00 40.66 41.88 1smk h LEU 110 CO 0.11 1.64 0.56 0.41 0.09 0.00 0.00 178.44 181.24 1smk n THR 111 N -3.82 0.14 -0.64 0.22 -1.04 -0.37 -1.66 114.28 107.10 1smk n THR 111 Ca -0.17 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1smk n THR 111 Cb 1.02 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 2.74 1.31 3.77 3.41 0.00 -1.26 -5.02 105.19 110.14 1smk n GLY 112 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.16 4.42 -0.08 1.61 1.00 -0.67 -4.75 119.30 120.68 1smk s MET 113 Ca 0.00 1.70 0.17 0.00 0.00 0.00 0.00 55.69 57.56 1smk s MET 113 Cb 0.00 -2.91 -0.26 0.00 0.00 0.00 0.00 34.83 31.66 1smk s MET 113 CO 0.00 0.05 0.27 -0.25 0.00 0.00 0.00 175.02 175.09 1smk n ASP 114 N 0.65 0.82 -3.85 3.03 8.00 0.04 -4.41 116.55 120.83 1smk n ASP 114 Ca 0.02 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.40 1smk n ASP 114 Cb 0.47 1.48 -0.12 0.00 -0.02 0.00 0.00 41.12 42.93 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 -4.65 1.60 -0.11 0.64 2.96 -1.03 -0.75 118.68 117.34 1smk s LEU 115 Ca -0.07 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1smk s LEU 115 Cb 0.09 0.43 0.03 0.00 0.50 0.00 0.00 46.19 47.24 1smk s LEU 115 CO 0.74 -0.11 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.96 1smk s ILE 116 N -0.27 0.95 -0.25 6.68 1.01 0.40 -1.32 121.20 128.40 1smk s ILE 116 Ca -0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 1smk s ILE 116 Cb -0.03 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1smk s ILE 116 CO 0.00 0.32 0.16 -0.63 0.00 0.00 0.00 174.94 174.79 1smk s ILE 117 N 1.74 5.29 -0.62 2.92 1.01 0.48 -0.04 121.20 131.97 1smk s ILE 117 Ca 0.04 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.88 1smk s ILE 117 Cb -0.13 -3.47 0.15 0.00 0.01 0.00 0.00 42.46 39.02 1smk s ILE 117 CO -0.08 0.33 0.40 -0.69 0.00 0.00 0.00 174.94 174.90 1smk s VAL 118 N 1.18 2.95 -2.69 2.92 1.01 -0.62 -0.79 120.40 124.36 1smk s VAL 118 Ca 0.07 -3.66 0.26 0.00 0.00 0.00 0.00 61.98 58.65 1smk s VAL 118 Cb -0.14 -2.97 0.41 0.00 0.00 0.00 0.00 36.38 33.68 1smk s VAL 118 CO 0.06 -0.90 1.55 -0.81 0.00 0.00 0.00 175.10 174.99 1smk n PRO 119 N 2.69 1.94 -1.61 2.72 -0.04 -1.17 -1.28 135.00 138.25 1smk n PRO 119 Ca 0.12 -1.36 -0.48 0.00 -0.04 0.00 0.00 63.50 61.73 1smk n PRO 119 Cb 0.34 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.66 -0.18 0.00 0.55 0.00 -0.79 -4.66 120.51 116.09 1smk n ALA 120 Ca 0.17 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1smk n ALA 120 Cb 0.45 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 2.24 2.53 3.88 0.00 0.00 -1.26 -4.46 105.19 108.13 1smk n GLY 121 Ca 0.15 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1smk n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smk s VAL 122 N -2.00 5.20 -0.07 1.61 1.01 -1.26 -5.04 120.40 119.84 1smk s VAL 122 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 1smk s VAL 122 Cb 0.00 -3.61 -0.19 0.00 0.00 0.00 0.00 36.38 32.58 1smk s VAL 122 CO 0.00 0.25 0.88 -0.65 0.00 0.00 0.00 175.10 175.58 1smk h PRO 123 N 3.57 -0.09 -4.45 2.72 0.11 -2.01 -3.49 132.00 128.36 1smk h PRO 123 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1smk h PRO 123 Cb 1.19 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1smk h PRO 123 CO 0.68 0.48 -0.10 0.54 -0.21 0.00 0.00 178.00 179.39 1smk n ARG 124 N -4.82 -1.04 -0.57 1.05 5.12 -1.26 -5.01 116.66 110.14 1smk n ARG 124 Ca -0.08 1.25 -0.22 0.00 -1.93 0.00 0.00 57.85 56.87 1smk n ARG 124 Cb 0.30 -4.12 0.15 0.00 -1.16 0.00 0.00 32.46 27.63 1smk n ARG 124 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1smk n LYS 125 N -1.11 -2.09 -1.73 5.56 -0.00 -1.26 -4.67 118.16 112.86 1smk n LYS 125 Ca 0.02 -0.61 -0.38 0.00 -0.00 0.00 0.00 58.31 57.35 1smk n LYS 125 Cb 0.43 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.93 1smk n LYS 125 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1smk s PRO 126 N -3.42 2.38 0.00 -1.58 0.04 -1.26 -3.49 135.00 127.67 1smk s PRO 126 Ca 0.40 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1smk s PRO 126 Cb -0.06 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 29.98 1smk s PRO 126 CO 0.42 -2.98 0.00 0.41 0.04 0.00 0.00 177.00 174.89 1smk n GLY 127 N 5.87 0.02 3.15 0.56 0.00 -1.26 -5.08 105.19 108.45 1smk n GLY 127 Ca 0.31 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.43 0.51 0.21 1.61 -1.94 -1.23 -5.18 119.30 112.85 1smk s MET 128 Ca 0.00 0.84 0.01 0.00 -1.71 0.00 0.00 55.69 54.83 1smk s MET 128 Cb 0.00 0.46 -0.05 0.00 2.01 0.00 0.00 34.83 37.25 1smk s MET 128 CO 0.00 -0.61 0.05 0.99 -0.01 0.00 0.00 175.02 175.44 1smk s THR 129 N 2.87 0.54 0.00 2.05 2.01 -1.26 -4.66 115.64 117.19 1smk s THR 129 Ca 0.17 -1.98 0.00 0.00 0.31 0.00 0.00 61.69 60.18 1smk s THR 129 Cb -0.13 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.03 1smk s THR 129 CO -0.20 -0.25 0.00 0.54 -0.69 0.00 0.00 174.62 174.01 1smk n ARG 130 N -0.32 0.00 0.01 4.92 5.12 -1.26 -4.10 116.66 121.03 1smk n ARG 130 Ca -0.03 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.86 1smk n ARG 130 Cb 0.65 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.84 1smk n ARG 130 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1smk n ASP 131 N 4.87 0.80 0.08 0.55 2.03 -1.26 -3.42 116.55 120.20 1smk n ASP 131 Ca 0.00 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1smk n ASP 131 Cb 0.00 0.17 0.31 0.00 -0.72 0.00 0.00 41.12 40.89 1smk n ASP 131 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1smk h ASP 132 N 0.00 0.32 -0.06 1.67 3.32 -1.88 -2.73 116.42 117.06 1smk h ASP 132 Ca -0.22 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1smk h ASP 132 Cb 1.74 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.20 1smk h ASP 132 CO 0.05 0.51 -0.03 0.25 -1.72 0.00 0.00 179.24 178.30 1smk h LEU 133 N 0.31 0.13 -0.53 1.55 5.85 -1.83 -3.25 115.31 117.54 1smk h LEU 133 Ca 0.06 -0.43 0.11 0.00 0.84 0.00 0.00 57.88 58.45 1smk h LEU 133 Cb 0.49 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 1smk h LEU 133 CO 0.03 0.53 -0.14 0.15 -0.34 0.00 0.00 178.44 178.67 1smk h PHE 134 N -0.27 -0.31 -0.45 1.25 3.57 -1.51 -1.40 116.94 117.83 1smk h PHE 134 Ca 0.01 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.65 1smk h PHE 134 Cb 0.48 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.36 1smk h PHE 134 CO 0.07 -0.24 -0.09 0.87 -2.23 0.00 0.00 178.31 176.69 1smk h LYS 135 N -0.01 0.02 0.00 1.11 1.57 -1.56 0.22 116.57 117.92 1smk h LYS 135 Ca 0.26 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1smk h LYS 135 Cb 0.40 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1smk h LYS 135 CO -0.55 0.01 0.00 -0.89 -0.57 0.00 0.00 179.45 177.45 1smk n ILE 136 N -5.32 0.00 -0.25 1.86 5.41 -0.61 -2.66 119.36 117.80 1smk n ILE 136 Ca 0.04 1.11 0.32 0.00 1.00 0.00 0.00 62.75 65.22 1smk n ILE 136 Cb 0.24 -2.07 0.70 0.00 -0.71 0.00 0.00 39.64 37.81 1smk n ILE 136 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1smk h ASN 137 N 0.00 0.00 0.44 4.38 4.21 -1.36 -0.02 115.58 123.23 1smk h ASN 137 Ca 0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1smk h ASN 137 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1smk h ASN 137 CO 0.00 0.00 -0.21 0.00 -1.29 0.00 0.00 177.43 175.93 1smk h ALA 138 N 1.24 -0.59 -0.05 -0.83 0.00 -0.54 0.22 119.26 118.71 1smk h ALA 138 Ca 0.51 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1smk h ALA 138 Cb 2.26 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 20.27 1smk h ALA 138 CO -0.01 -0.75 -0.03 0.78 0.00 0.00 0.00 179.25 179.25 1smk h GLY 139 N -0.76 0.02 -0.00 0.00 0.00 -0.79 0.21 103.07 101.74 1smk h GLY 139 Ca -0.06 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.38 1smk h GLY 139 CO 0.10 -0.04 -0.28 -2.22 0.00 0.00 0.00 176.54 174.11 1smk h ILE 140 N -0.03 0.32 -0.61 2.60 2.04 -1.29 0.63 117.51 121.17 1smk h ILE 140 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1smk h ILE 140 Cb 0.07 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 1smk h ILE 140 CO -0.07 0.00 0.36 0.58 0.00 0.00 0.00 178.15 179.02 1smk h VAL 141 N -0.25 1.04 0.49 1.67 2.07 -0.19 -1.07 116.25 120.01 1smk h VAL 141 Ca 0.16 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1smk h VAL 141 Cb 0.50 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1smk h VAL 141 CO -0.46 0.13 -0.44 0.50 0.02 0.00 0.00 177.57 177.31 1smk h LYS 142 N 0.70 -0.90 -0.17 1.57 3.64 0.14 0.06 116.57 121.62 1smk h LYS 142 Ca 0.25 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1smk h LYS 142 Cb 0.06 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1smk h LYS 142 CO -0.12 -0.60 0.11 1.79 -2.27 0.00 0.00 179.45 178.37 1smk h THR 143 N -0.93 0.98 0.15 1.00 1.35 0.42 0.19 112.91 116.07 1smk h THR 143 Ca -0.05 -0.04 -0.31 0.00 -0.55 0.00 0.00 66.41 65.46 1smk h THR 143 Cb 0.81 0.86 0.03 0.00 -1.73 0.00 0.00 68.15 68.12 1smk h THR 143 CO -0.04 0.02 -1.30 -0.07 -0.25 0.00 0.00 175.52 173.88 1smk h LEU 144 N 0.11 0.87 -1.74 3.87 3.38 -0.95 -3.02 115.31 117.82 1smk h LEU 144 Ca 0.07 -0.83 -0.03 0.00 0.09 0.00 0.00 57.88 57.18 1smk h LEU 144 Cb 0.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1smk h LEU 144 CO -0.01 1.63 -0.16 0.00 0.09 0.00 0.00 178.44 179.99 1smk h GLU 146 N 0.00 0.34 0.16 0.00 5.08 -0.92 -0.66 114.58 118.59 1smk h GLU 146 Ca -0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1smk h GLU 146 Cb 0.41 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1smk h GLU 146 CO 0.02 0.53 -0.08 0.78 -1.00 0.00 0.00 179.01 179.26 1smk h GLY 147 N 0.11 -0.23 0.05 -3.84 0.00 -1.28 -2.70 103.07 95.18 1smk h GLY 147 Ca 0.06 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.53 1smk h GLY 147 CO 0.01 -0.08 -0.31 -2.22 0.00 0.00 0.00 176.54 173.93 1smk h ILE 148 N -0.32 0.28 -0.20 2.60 2.04 -1.20 0.85 117.51 121.56 1smk h ILE 148 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 1smk h ILE 148 Cb 0.25 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1smk h ILE 148 CO 0.04 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.44 1smk h ALA 149 N 0.57 1.79 0.08 1.87 0.00 -1.10 -1.09 119.26 121.38 1smk h ALA 149 Ca 0.12 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.65 1smk h ALA 149 Cb 0.53 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1smk h ALA 149 CO -0.42 -0.36 -2.18 1.17 0.00 0.00 0.00 179.25 177.47 1smk n LYS 150 N -3.67 0.72 -0.06 0.00 4.81 0.78 -4.22 118.16 116.51 1smk n LYS 150 Ca 0.02 0.22 -0.02 0.00 -0.87 0.00 0.00 58.31 57.66 1smk n LYS 150 Cb 0.38 -1.64 -0.15 0.00 0.02 0.00 0.00 35.03 33.64 1smk n LYS 150 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1smk h PRO 153 N 2.79 0.00 -0.51 0.00 0.13 -1.54 0.18 132.00 133.05 1smk h PRO 153 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1smk h PRO 153 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1smk h PRO 153 CO 0.35 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.66 1smk n ARG 154 N -2.74 2.74 -2.78 0.86 1.74 -1.26 -4.89 116.66 110.33 1smk n ARG 154 Ca -0.01 -2.30 -0.33 0.00 -0.77 0.00 0.00 57.85 54.44 1smk n ARG 154 Cb 0.56 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.54 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 -1.02 3.10 -0.01 7.54 0.00 0.62 -5.00 121.76 126.99 1smk s ALA 155 Ca 0.35 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 1smk s ALA 155 Cb 0.18 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 1smk s ALA 155 CO 0.24 0.08 0.93 0.42 0.00 0.00 0.00 175.76 177.43 1smk s ILE 156 N -2.25 4.90 -0.16 0.00 -1.09 0.07 -4.88 121.20 117.78 1smk s ILE 156 Ca 0.60 1.96 -0.05 0.00 -2.23 0.00 0.00 60.65 60.93 1smk s ILE 156 Cb -0.09 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 1smk s ILE 156 CO 0.18 0.18 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.38 1smk s VAL 157 N 0.97 4.23 -0.73 2.92 1.01 0.12 -0.45 120.40 128.47 1smk s VAL 157 Ca 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 1smk s VAL 157 Cb -0.20 -2.87 0.18 0.00 0.00 0.00 0.00 36.38 33.49 1smk s VAL 157 CO 0.26 0.49 0.56 0.20 0.00 0.00 0.00 175.10 176.61 1smk s ASN 158 N 0.24 5.33 -0.20 3.32 -0.87 0.94 -0.51 114.94 123.19 1smk s ASN 158 Ca -0.00 -3.39 -0.29 0.00 -1.57 0.00 0.00 52.86 47.61 1smk s ASN 158 Cb -0.13 -1.81 0.00 0.00 -0.02 0.00 0.00 41.25 39.29 1smk s ASN 158 CO 0.02 -0.23 1.12 -0.22 -2.57 0.00 0.00 177.10 175.22 1smk s LEU 159 N -0.84 4.13 -0.07 0.60 2.96 0.42 -1.59 118.68 124.29 1smk s LEU 159 Ca 0.22 1.49 0.10 0.00 -0.22 0.00 0.00 54.13 55.73 1smk s LEU 159 Cb -0.13 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.88 1smk s LEU 159 CO -0.09 -0.70 0.11 -0.38 -1.32 0.00 0.00 176.35 173.97 1smk n ILE 160 N 5.31 0.47 -1.31 6.68 5.41 -0.40 -0.32 119.36 135.21 1smk n ILE 160 Ca 0.13 -0.38 -0.60 0.00 1.00 0.00 0.00 62.75 62.90 1smk n ILE 160 Cb 0.46 -0.40 -0.11 0.00 -0.71 0.00 0.00 39.64 38.88 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 -2.22 0.82 -4.75 4.38 7.64 -0.65 -4.59 113.62 114.25 1smk n SER 161 Ca -0.12 0.76 -0.41 0.00 1.01 0.00 0.00 58.87 60.12 1smk n SER 161 Cb 0.66 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.95 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 5.19 7.22 -0.29 6.43 3.84 -1.26 -2.67 114.94 133.39 1smk s ASN 162 Ca 1.13 2.27 -0.23 0.00 0.21 0.00 0.00 52.86 56.24 1smk s ASN 162 Cb -1.45 -2.62 -0.00 0.00 -0.55 0.00 0.00 41.25 36.62 1smk s ASN 162 CO 0.67 -0.21 0.76 -2.16 -2.79 0.00 0.00 177.10 173.38 1smk s PRO 163 N -1.16 4.02 0.31 0.43 0.04 -1.26 -4.86 135.00 132.52 1smk s PRO 163 Ca 0.46 0.63 0.02 0.00 0.04 0.00 0.00 61.00 62.16 1smk s PRO 163 Cb -0.32 -3.70 0.59 0.00 0.04 0.00 0.00 34.50 31.11 1smk s PRO 163 CO 0.40 -0.60 1.89 0.28 0.04 0.00 0.00 177.00 179.01 1smk h VAL 164 N 5.53 1.00 0.00 -0.36 2.07 -1.76 0.16 116.25 122.89 1smk h VAL 164 Ca -0.25 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1smk h VAL 164 Cb 1.10 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1smk h VAL 164 CO 0.86 0.18 0.15 0.59 0.02 0.00 0.00 177.57 179.36 1smk n ASN 165 N -4.53 0.33 0.00 0.57 3.02 -1.26 -2.39 115.26 111.00 1smk n ASN 165 Ca 0.15 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.29 1smk n ASN 165 Cb 0.28 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1smk n ASN 165 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1smk n SER 166 N -1.96 2.97 -0.34 6.41 7.64 -0.49 -3.55 113.62 124.30 1smk n SER 166 Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.86 1smk n SER 166 Cb 0.17 0.11 0.12 0.00 -1.01 0.00 0.00 64.21 63.60 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 1.16 -0.03 0.44 1.35 -0.62 -1.18 112.91 114.03 1smk h THR 167 Ca 0.00 -0.40 0.03 0.00 -0.55 0.00 0.00 66.41 65.48 1smk h THR 167 Cb 0.69 -0.12 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 1smk h THR 167 CO 0.00 0.21 -0.14 0.58 -0.25 0.00 0.00 175.52 175.92 1smk h VAL 168 N 1.17 0.64 -0.80 6.82 2.07 -1.71 0.47 116.25 124.92 1smk h VAL 168 Ca 0.37 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.87 1smk h VAL 168 Cb -0.00 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1smk h VAL 168 CO -0.12 0.00 0.42 -0.65 0.02 0.00 0.00 177.57 177.24 1smk h PRO 169 N -0.22 1.12 -0.30 1.57 0.11 -1.70 -1.15 132.00 131.43 1smk h PRO 169 Ca 0.06 -0.14 0.06 0.00 0.11 0.00 0.00 66.00 66.09 1smk h PRO 169 Cb 0.30 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 31.14 1smk h PRO 169 CO -0.16 0.84 -0.07 0.82 -0.21 0.00 0.00 178.00 179.22 1smk h ILE 170 N 1.12 0.71 0.06 4.15 2.04 -0.47 -1.50 117.51 123.62 1smk h ILE 170 Ca 0.28 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.16 1smk h ILE 170 Cb 0.06 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1smk h ILE 170 CO -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.92 1smk h ALA 171 N 1.30 -0.29 -0.98 1.87 0.00 -0.27 -0.70 119.26 120.19 1smk h ALA 171 Ca 0.14 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.25 1smk h ALA 171 Cb 0.22 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.21 1smk h ALA 171 CO -0.30 -0.71 0.57 0.00 0.00 0.00 0.00 179.25 178.81 1smk h ALA 172 N 0.51 1.66 -0.28 0.00 0.00 -0.69 0.12 119.26 120.58 1smk h ALA 172 Ca 0.04 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1smk h ALA 172 Cb 0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1smk h ALA 172 CO -0.14 -0.17 -0.49 0.93 0.00 0.00 0.00 179.25 179.38 1smk h GLU 173 N 0.65 0.79 0.00 0.00 4.39 -0.64 -1.26 114.58 118.50 1smk h GLU 173 Ca 0.59 -0.47 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1smk h GLU 173 Cb 1.02 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1smk h GLU 173 CO -0.43 1.10 -0.11 0.28 -1.16 0.00 0.00 179.01 178.68 1smk h VAL 174 N 0.62 0.95 0.00 3.13 2.07 0.68 -1.89 116.25 121.81 1smk h VAL 174 Ca 0.03 -0.41 -0.21 0.00 0.82 0.00 0.00 66.70 66.93 1smk h VAL 174 Cb 1.07 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1smk h VAL 174 CO 0.11 0.11 -1.24 -0.26 0.02 0.00 0.00 177.57 176.31 1smk h PHE 175 N 0.00 0.00 0.27 1.57 0.04 -0.89 -2.85 116.94 115.07 1smk h PHE 175 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1smk h PHE 175 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1smk h PHE 175 CO 0.00 0.80 -0.13 0.87 -0.60 0.00 0.00 178.31 179.25 1smk h LYS 176 N 0.00 -0.35 0.00 1.51 1.57 -0.64 1.05 116.57 119.71 1smk h LYS 176 Ca -0.13 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1smk h LYS 176 Cb 1.73 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 34.12 1smk h LYS 176 CO 0.08 -0.03 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.65 1smk h LYS 177 N -0.71 0.00 0.00 3.15 3.64 -1.50 0.12 116.57 121.27 1smk h LYS 177 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1smk h LYS 177 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1smk h LYS 177 CO 0.06 0.06 -0.56 0.00 -2.27 0.00 0.00 179.45 176.74 1smk h ALA 178 N 1.94 0.70 -0.59 5.00 0.00 -1.26 -3.48 119.26 121.57 1smk h ALA 178 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1smk h ALA 178 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1smk h ALA 178 CO 0.01 0.00 -0.13 0.41 0.00 0.00 0.00 179.25 179.54 1smk n GLY 179 N 1.19 0.43 0.35 0.00 0.00 0.33 -4.92 105.19 102.57 1smk n GLY 179 Ca 0.02 -0.71 0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.50 1.40 -2.44 2.61 -2.24 0.79 -5.00 114.28 105.91 1smk n THR 180 Ca -0.06 -1.84 -0.43 0.00 -2.27 0.00 0.00 64.05 59.45 1smk n THR 180 Cb 0.40 0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.11 2.83 -0.24 4.78 5.04 -1.05 -4.92 117.35 121.69 1smk s TYR 181 Ca 0.26 1.00 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 1smk s TYR 181 Cb 0.24 -3.59 0.06 0.00 0.35 0.00 0.00 41.96 39.02 1smk s TYR 181 CO -0.01 -1.64 -0.03 0.34 -1.34 0.00 0.00 175.55 172.87 1smk s ASP 182 N 2.14 3.77 0.41 4.32 -1.08 -1.26 -4.99 116.67 119.98 1smk s ASP 182 Ca 0.54 -1.18 0.29 0.00 -0.52 0.00 0.00 52.55 51.68 1smk s ASP 182 Cb -0.20 -1.10 1.46 0.00 -1.46 0.00 0.00 42.92 41.62 1smk s ASP 182 CO 0.16 -0.26 1.87 1.55 0.52 0.00 0.00 175.17 179.02 1smk h PRO 183 N 7.99 0.00 -0.03 4.34 0.13 -1.94 -1.91 132.00 140.57 1smk h PRO 183 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1smk h PRO 183 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1smk h PRO 183 CO 0.41 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.81 1smk n LYS 184 N -2.53 1.50 0.00 0.86 5.02 -1.26 -4.02 118.16 117.73 1smk n LYS 184 Ca -0.01 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 1smk n LYS 184 Cb 0.10 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 -0.11 0.61 -4.27 1.97 1.74 -0.72 -0.09 116.66 115.78 1smk n ARG 185 Ca 0.20 -0.32 -0.34 0.00 -0.77 0.00 0.00 57.85 56.61 1smk n ARG 185 Cb 0.29 -0.80 -0.12 0.00 -1.02 0.00 0.00 32.46 30.80 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 -0.36 3.22 -0.05 0.55 2.96 -1.22 0.16 118.68 123.94 1smk s LEU 186 Ca 0.00 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1smk s LEU 186 Cb 0.00 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.93 1smk s LEU 186 CO 0.00 0.12 0.08 -0.76 -1.32 0.00 0.00 176.35 174.47 1smk s LEU 187 N 0.64 0.25 -0.28 -0.68 1.02 0.34 -4.67 118.68 115.30 1smk s LEU 187 Ca -0.02 0.13 -0.27 0.00 0.02 0.00 0.00 54.13 53.99 1smk s LEU 187 Cb -0.14 -0.03 0.01 0.00 0.02 0.00 0.00 46.19 46.04 1smk s LEU 187 CO 0.02 -0.23 0.97 -0.83 0.02 0.00 0.00 176.35 176.31 1smk s GLY 188 N 2.00 1.66 0.09 -3.19 0.00 0.44 -0.43 107.32 107.88 1smk s GLY 188 Ca 0.02 -0.07 -0.31 0.00 0.00 0.00 0.00 44.72 44.37 1smk s GLY 188 CO -0.04 2.07 1.55 0.14 0.00 0.00 0.00 173.10 176.83 1smk s VAL 189 N 3.25 3.10 -0.00 1.40 1.01 0.57 -1.24 120.40 128.49 1smk s VAL 189 Ca 0.41 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1smk s VAL 189 Cb -0.14 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1smk s VAL 189 CO 0.11 0.02 0.72 0.35 0.00 0.00 0.00 175.10 176.30 1smk n THR 190 N 4.42 0.42 -0.14 3.92 -2.24 -1.26 -4.82 114.28 114.58 1smk n THR 190 Ca 0.14 -0.43 0.27 0.00 -2.27 0.00 0.00 64.05 61.77 1smk n THR 190 Cb 0.41 0.76 0.72 0.00 -2.10 0.00 0.00 70.33 70.12 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 0.00 0.00 -0.38 -0.78 -1.53 -1.88 0.86 114.93 111.22 1smk h MET 191 Ca 0.00 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 1smk h MET 191 Cb 0.83 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.86 1smk h MET 191 CO 0.00 0.00 0.09 1.25 0.14 0.00 0.00 176.91 178.39 1smk h LEU 192 N 0.00 0.51 -0.22 3.39 5.85 -1.87 0.12 115.31 123.09 1smk h LEU 192 Ca 0.39 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 1smk h LEU 192 Cb 1.62 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1smk h LEU 192 CO -0.00 0.52 0.06 0.44 -0.34 0.00 0.00 178.44 179.12 1smk h ASP 193 N 0.55 0.32 -0.25 1.25 3.32 -1.20 0.12 116.42 120.53 1smk h ASP 193 Ca 0.13 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1smk h ASP 193 Cb 0.22 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1smk h ASP 193 CO -0.00 0.45 0.12 0.58 -1.72 0.00 0.00 179.24 178.66 1smk h VAL 194 N 0.17 1.14 -0.46 -1.35 2.07 -1.43 0.57 116.25 116.96 1smk h VAL 194 Ca 0.07 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.25 1smk h VAL 194 Cb 0.25 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1smk h VAL 194 CO -0.00 0.14 0.15 0.58 0.02 0.00 0.00 177.57 178.46 1smk h VAL 195 N 0.27 0.82 0.07 2.57 2.07 -0.64 0.23 116.25 121.64 1smk h VAL 195 Ca 0.08 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1smk h VAL 195 Cb 0.11 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1smk h VAL 195 CO -0.01 0.06 -0.03 0.03 0.02 0.00 0.00 177.57 177.63 1smk h ARG 196 N 0.31 -0.09 -0.67 1.57 3.08 -0.55 -1.36 114.38 116.67 1smk h ARG 196 Ca 0.22 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.41 1smk h ARG 196 Cb 0.24 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.22 1smk h ARG 196 CO -0.24 0.04 0.18 0.00 -1.07 0.00 0.00 179.97 178.87 1smk h ALA 197 N 0.73 0.85 -0.22 0.04 0.00 0.11 -0.59 119.26 120.18 1smk h ALA 197 Ca -0.01 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1smk h ALA 197 Cb 0.16 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1smk h ALA 197 CO 0.02 -0.29 -0.13 -0.91 0.00 0.00 0.00 179.25 177.93 1smk h ASN 198 N 0.30 0.50 0.04 0.00 2.35 -0.46 -1.78 115.58 116.54 1smk h ASN 198 Ca 0.36 -0.43 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1smk h ASN 198 Cb 0.57 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1smk h ASN 198 CO -0.44 0.82 -0.16 0.74 -1.65 0.00 0.00 177.43 176.74 1smk h THR 199 N 0.19 0.62 -0.41 2.81 2.02 -0.60 0.18 112.91 117.71 1smk h THR 199 Ca 0.05 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 1smk h THR 199 Cb 0.64 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1smk h THR 199 CO 0.04 0.00 -0.08 -0.26 0.37 0.00 0.00 175.52 175.58 1smk h PHE 200 N -0.29 0.88 -0.81 3.16 0.04 -1.19 -1.62 116.94 117.11 1smk h PHE 200 Ca 0.04 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1smk h PHE 200 Cb 0.33 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 1smk h PHE 200 CO -0.19 0.90 0.51 0.28 -0.60 0.00 0.00 178.31 179.20 1smk h VAL 201 N 0.60 1.22 0.00 -0.55 2.07 -1.17 -0.57 116.25 117.85 1smk h VAL 201 Ca 0.11 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1smk h VAL 201 Cb 0.60 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1smk h VAL 201 CO 0.04 0.22 -0.21 0.00 0.02 0.00 0.00 177.57 177.64 1smk h ALA 202 N 1.28 1.32 -0.06 1.67 0.00 -0.41 -1.81 119.26 121.25 1smk h ALA 202 Ca 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1smk h ALA 202 Cb -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1smk h ALA 202 CO -0.06 0.26 -0.09 0.93 0.00 0.00 0.00 179.25 180.30 1smk h GLU 203 N 0.00 0.16 -0.80 0.00 5.08 -0.16 0.28 114.58 119.15 1smk h GLU 203 Ca -0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1smk h GLU 203 Cb 0.48 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1smk h GLU 203 CO 0.03 0.65 0.49 0.28 -1.00 0.00 0.00 179.01 179.46 1smk h VAL 204 N -0.32 1.22 -0.27 3.13 2.07 -0.99 -2.79 116.25 118.30 1smk h VAL 204 Ca 0.01 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1smk h VAL 204 Cb 0.64 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1smk h VAL 204 CO 0.02 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.02 1smk n LEU 205 N -4.48 1.74 -2.75 2.57 4.77 -0.70 -4.91 117.00 113.24 1smk n LEU 205 Ca 0.08 -0.82 -0.20 0.00 -0.03 0.00 0.00 56.01 55.04 1smk n LEU 205 Cb 0.05 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1smk n LEU 205 CO 0.37 0.41 -0.13 0.61 -1.33 0.00 0.00 177.39 177.33 1smk n GLY 206 N 1.07 -0.51 3.68 -0.72 0.00 -0.77 -4.96 105.19 102.99 1smk n GLY 206 Ca 0.13 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -6.22 3.35 -0.08 0.99 1.43 0.91 -5.03 118.68 114.04 1smk s LEU 207 Ca 0.15 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 1smk s LEU 207 Cb -0.07 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1smk s LEU 207 CO 0.19 0.04 1.16 -0.62 0.23 0.00 0.00 176.35 177.35 1smk s ASP 208 N -3.35 7.08 0.56 2.29 -1.08 -1.26 -4.34 116.67 116.58 1smk s ASP 208 Ca 0.30 1.73 0.34 0.00 -0.52 0.00 0.00 52.55 54.40 1smk s ASP 208 Cb -0.08 -2.56 1.47 0.00 -1.46 0.00 0.00 42.92 40.29 1smk s ASP 208 CO 0.20 -0.57 1.76 -0.65 0.52 0.00 0.00 175.17 176.43 1smk h PRO 209 N 7.44 0.00 -0.12 4.34 0.11 -1.88 0.10 132.00 141.99 1smk h PRO 209 Ca -0.32 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.67 1smk h PRO 209 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1smk h PRO 209 CO 0.89 0.00 -0.45 0.00 -0.21 0.00 0.00 178.00 178.22 1smk h ARG 210 N 0.00 0.28 -0.69 1.05 3.08 -1.94 -2.83 114.38 113.33 1smk h ARG 210 Ca 0.48 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1smk h ARG 210 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.17 1smk h ARG 210 CO -0.01 0.68 0.00 -0.25 -1.07 0.00 0.00 179.97 179.33 1smk n ASP 211 N -3.99 2.57 -4.22 7.04 8.00 0.02 -4.85 116.55 121.11 1smk n ASP 211 Ca -0.02 -2.28 -0.24 0.00 0.71 0.00 0.00 54.79 52.96 1smk n ASP 211 Cb 0.51 -0.48 -0.14 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.68 1.53 -0.12 2.53 1.01 -1.07 -4.17 120.40 118.43 1smk s VAL 212 Ca 0.21 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1smk s VAL 212 Cb 0.15 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 35.25 1smk s VAL 212 CO 0.08 0.16 0.26 -0.62 0.00 0.00 0.00 175.10 174.99 1smk s ASP 213 N -1.14 0.15 -0.17 3.32 2.15 -0.70 -4.89 116.67 115.38 1smk s ASP 213 Ca 0.06 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.62 1smk s ASP 213 Cb -0.08 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.15 1smk s ASP 213 CO 0.02 -0.22 -0.15 -0.69 -0.17 0.00 0.00 175.17 173.96 1smk s VAL 214 N 2.04 2.58 0.26 1.11 1.01 -1.26 -2.08 120.40 124.05 1smk s VAL 214 Ca -0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1smk s VAL 214 Cb -0.11 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 1smk s VAL 214 CO -0.09 0.51 1.18 -2.84 0.00 0.00 0.00 175.10 173.87 1smk s PRO 215 N 1.02 4.52 -0.09 2.72 0.02 -1.26 -4.83 135.00 137.11 1smk s PRO 215 Ca -0.01 1.92 0.01 0.00 0.02 0.00 0.00 61.00 62.94 1smk s PRO 215 Cb -0.15 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.21 1smk s PRO 215 CO -0.04 0.01 -0.09 0.08 -0.33 0.00 0.00 177.00 176.64 1smk s VAL 216 N -0.74 1.02 0.44 3.83 1.01 -1.26 -1.57 120.40 123.13 1smk s VAL 216 Ca 0.49 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1smk s VAL 216 Cb -0.34 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1smk s VAL 216 CO 0.42 0.35 0.09 1.33 0.00 0.00 0.00 175.10 177.29 1smk n VAL 217 N 4.39 0.00 0.00 2.92 0.24 -0.69 -4.55 118.33 120.64 1smk n VAL 217 Ca -0.18 -2.37 0.00 0.00 -2.04 0.00 0.00 64.34 59.75 1smk n VAL 217 Cb 0.51 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 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 -0.87 1.10 0.00 7.63 0.00 0.08 -0.52 105.19 112.62 1smk n GLY 218 Ca -0.12 -1.06 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 5.18 0.28 -0.02 0.00 0.50 0.47 105.19 111.59 1smk n GLY 219 Ca 0.00 -2.12 0.03 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.10 0.21 -3.97 1.61 -0.00 -1.26 -3.84 115.22 107.86 1smk n HIS 220 Ca 0.00 -0.52 -0.16 0.00 0.46 0.00 0.00 57.72 57.49 1smk n HIS 220 Cb 0.00 -0.05 -0.16 0.00 -0.12 0.00 0.00 29.99 29.66 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 -1.09 0.32 0.00 1.57 0.00 -1.26 -4.90 121.76 116.39 1smk s ALA 221 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1smk s ALA 221 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1smk s ALA 221 CO 0.07 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1smk n GLY 222 N 3.81 2.76 0.08 0.00 0.00 -1.25 -1.26 105.19 109.32 1smk n GLY 222 Ca -0.23 0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.25 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 0.01 0.15 1.61 0.24 -1.26 -2.84 118.33 116.24 1smk n VAL 223 Ca 0.00 -0.04 0.11 0.00 -2.04 0.00 0.00 64.34 62.37 1smk n VAL 223 Cb 0.00 -0.29 0.06 0.00 -1.47 0.00 0.00 33.84 32.14 1smk n VAL 223 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1smk h THR 224 N 0.35 0.02 -1.76 3.34 1.35 -1.46 -3.34 112.91 111.41 1smk h THR 224 Ca 0.00 -1.03 -0.57 0.00 -0.55 0.00 0.00 66.41 64.27 1smk h THR 224 Cb 0.07 1.70 -0.09 0.00 -1.73 0.00 0.00 68.15 68.10 1smk h THR 224 CO 0.00 0.01 1.27 -0.63 -0.25 0.00 0.00 175.52 175.92 1smk s ILE 225 N -3.30 3.81 -0.78 6.82 1.01 -1.13 0.19 121.20 127.82 1smk s ILE 225 Ca 0.02 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.40 1smk s ILE 225 Cb 0.08 -4.97 0.20 0.00 0.01 0.00 0.00 42.46 37.78 1smk s ILE 225 CO 0.75 -1.88 0.70 -0.22 0.00 0.00 0.00 174.94 174.29 1smk s LEU 226 N 5.45 6.54 -0.35 2.97 2.96 0.32 -4.74 118.68 131.84 1smk s LEU 226 Ca 0.41 -2.61 -0.29 0.00 -0.22 0.00 0.00 54.13 51.42 1smk s LEU 226 Cb -0.04 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1smk s LEU 226 CO 0.03 -0.58 1.42 -2.16 -1.32 0.00 0.00 176.35 173.74 1smk s PRO 227 N 0.29 3.69 -1.37 0.98 0.04 -1.26 -1.70 135.00 135.67 1smk s PRO 227 Ca 0.16 1.13 -0.16 0.00 0.04 0.00 0.00 61.00 62.17 1smk s PRO 227 Cb -0.13 -3.99 0.05 0.00 0.04 0.00 0.00 34.50 30.47 1smk s PRO 227 CO -0.07 -1.42 1.97 1.28 0.04 0.00 0.00 177.00 178.80 1smk n LEU 228 N 8.49 5.81 0.25 -3.56 4.77 -0.61 -4.78 117.00 127.37 1smk n LEU 228 Ca 0.17 -4.01 0.14 0.00 -0.03 0.00 0.00 56.01 52.28 1smk n LEU 228 Cb 0.47 -1.70 0.74 0.00 -2.33 0.00 0.00 43.42 40.60 1smk n LEU 228 CO 0.67 0.57 0.99 -0.07 -1.33 0.00 0.00 177.39 178.22 1smk h LEU 229 N 11.44 0.00 -0.01 2.23 3.38 -1.91 -0.60 115.31 129.83 1smk h LEU 229 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1smk h LEU 229 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1smk h LEU 229 CO 1.66 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.96 1smk h SER 230 N 0.00 0.00 -0.61 -0.43 4.64 -1.92 -3.16 113.55 112.07 1smk h SER 230 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1smk h SER 230 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1smk h SER 230 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1smk n GLN 231 N -3.07 4.37 -1.78 4.77 6.02 -0.23 -4.93 117.38 122.52 1smk n GLN 231 Ca 0.04 -3.02 -0.37 0.00 -0.01 0.00 0.00 57.00 53.64 1smk n GLN 231 Cb 0.53 -2.10 0.06 0.00 1.02 0.00 0.00 30.24 29.74 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 -2.33 2.11 -0.05 5.09 0.11 -1.20 -4.59 120.40 119.55 1smk s VAL 232 Ca 0.53 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 1smk s VAL 232 Cb 0.38 -3.03 0.03 0.00 -1.53 0.00 0.00 36.38 32.22 1smk s VAL 232 CO 0.20 -0.01 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.41 1smk s LYS 233 N -3.27 0.52 0.40 1.54 1.02 -0.88 -2.70 119.74 116.37 1smk s LYS 233 Ca 0.80 0.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.58 1smk s LYS 233 Cb -0.37 -0.72 -0.08 0.00 -0.52 0.00 0.00 37.83 36.13 1smk s LYS 233 CO 0.41 -0.17 1.22 -1.25 -0.92 0.00 0.00 175.35 174.63 1smk s PRO 234 N 1.30 4.02 0.14 -1.68 0.04 -1.26 -1.73 135.00 135.83 1smk s PRO 234 Ca -0.06 1.95 -0.34 0.00 0.04 0.00 0.00 61.00 62.60 1smk s PRO 234 Cb -0.13 -2.71 -0.17 0.00 0.04 0.00 0.00 34.50 31.53 1smk s PRO 234 CO -0.02 -0.38 1.07 -2.30 0.04 0.00 0.00 177.00 175.41 1smk n PRO 235 N 0.10 0.78 -3.67 0.56 -0.02 -1.10 -4.97 135.00 126.68 1smk n PRO 235 Ca 0.04 0.28 -0.15 0.00 -2.02 0.00 0.00 63.50 61.65 1smk n PRO 235 Cb 0.45 -1.72 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.10 -0.35 0.10 2.55 0.01 -1.26 -5.10 113.70 109.54 1smk s SER 236 Ca 0.76 0.29 -0.12 0.00 1.31 0.00 0.00 55.95 58.19 1smk s SER 236 Cb -0.95 0.40 -0.06 0.00 0.21 0.00 0.00 66.02 65.61 1smk s SER 236 CO 0.53 -0.52 0.46 -0.44 0.41 0.00 0.00 173.24 173.68 1smk s SER 237 N -1.34 6.73 -0.09 2.44 0.01 -1.26 -4.95 113.70 115.24 1smk s SER 237 Ca -0.12 0.92 0.02 0.00 1.31 0.00 0.00 55.95 58.09 1smk s SER 237 Cb -0.03 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1smk s SER 237 CO 0.06 0.16 -0.15 -0.36 0.41 0.00 0.00 173.24 173.36 1smk s PHE 238 N -1.40 1.80 0.41 2.43 0.08 -1.26 -5.11 117.98 114.94 1smk s PHE 238 Ca 0.34 -0.77 -0.25 0.00 0.12 0.00 0.00 56.93 56.37 1smk s PHE 238 Cb -0.15 -1.30 -0.08 0.00 -0.57 0.00 0.00 43.02 40.92 1smk s PHE 238 CO 0.18 -0.39 1.24 0.95 -0.10 0.00 0.00 175.22 177.11 1smk s THR 239 N 0.80 2.84 0.62 0.64 -4.23 -1.26 -4.72 115.64 110.33 1smk s THR 239 Ca -0.11 0.72 0.24 0.00 -1.18 0.00 0.00 61.69 61.36 1smk s THR 239 Cb -0.16 -3.41 0.31 0.00 1.34 0.00 0.00 72.50 70.58 1smk s THR 239 CO 0.02 0.08 1.60 -0.61 -0.54 0.00 0.00 174.62 175.16 1smk h GLN 240 N 2.57 0.00 0.46 3.99 4.15 -1.99 0.29 115.11 124.58 1smk h GLN 240 Ca -0.49 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.90 1smk h GLN 240 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1smk h GLN 240 CO 0.62 0.00 -0.22 1.49 -1.93 0.00 0.00 178.83 178.79 1smk h GLU 241 N 0.00 -0.60 -0.82 1.69 4.81 -2.00 -1.53 114.58 116.13 1smk h GLU 241 Ca 0.21 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.62 1smk h GLU 241 Cb 1.67 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 31.13 1smk h GLU 241 CO -0.00 -0.40 0.54 0.93 -0.73 0.00 0.00 179.01 179.34 1smk h GLU 242 N -0.81 0.57 0.25 1.92 5.08 -0.86 -2.13 114.58 118.60 1smk h GLU 242 Ca -0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1smk h GLU 242 Cb 0.48 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1smk h GLU 242 CO 0.10 0.38 -0.12 0.82 -1.00 0.00 0.00 179.01 179.19 1smk h ILE 243 N 0.59 0.00 -0.84 3.13 2.04 -0.97 -1.57 117.51 119.89 1smk h ILE 243 Ca 0.40 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.47 1smk h ILE 243 Cb 0.72 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.65 1smk h ILE 243 CO -0.16 0.00 0.08 -1.28 0.00 0.00 0.00 178.15 176.79 1smk h SER 244 N -0.33 -0.27 0.63 1.72 0.87 -1.02 -0.12 113.55 115.02 1smk h SER 244 Ca -0.03 0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1smk h SER 244 Cb 0.26 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1smk h SER 244 CO 0.05 -0.20 -0.42 0.22 -0.53 0.00 0.00 176.83 175.95 1smk h TYR 245 N 0.12 -1.13 -0.43 2.24 3.20 -1.37 -1.34 116.97 118.27 1smk h TYR 245 Ca 0.49 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.44 1smk h TYR 245 Cb 0.94 0.41 -0.07 0.00 1.54 0.00 0.00 36.73 39.54 1smk h TYR 245 CO -0.39 -0.61 -0.04 -0.07 -1.64 0.00 0.00 178.16 175.41 1smk h LEU 246 N -0.99 -0.26 -1.41 2.82 3.38 -0.38 0.12 115.31 118.59 1smk h LEU 246 Ca -0.08 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1smk h LEU 246 Cb 0.80 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1smk h LEU 246 CO 0.06 -0.09 0.41 0.74 0.09 0.00 0.00 178.44 179.65 1smk h THR 247 N 0.07 1.14 0.52 0.22 2.02 -1.04 0.09 112.91 115.93 1smk h THR 247 Ca 0.21 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1smk h THR 247 Cb 0.32 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1smk h THR 247 CO -0.39 0.15 -0.25 -0.78 0.37 0.00 0.00 175.52 174.62 1smk h ASP 248 N 0.81 -0.59 -0.35 4.18 3.58 0.07 -2.73 116.42 121.38 1smk h ASP 248 Ca 0.23 -0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.67 1smk h ASP 248 Cb -0.06 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 1smk h ASP 248 CO -0.05 -0.20 0.14 -0.09 -2.88 0.00 0.00 179.24 176.16 1smk h ARG 249 N -1.08 0.29 -0.62 0.28 2.43 -0.66 -1.01 114.38 114.03 1smk h ARG 249 Ca -0.07 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.21 1smk h ARG 249 Cb 0.61 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1smk h ARG 249 CO 0.12 0.19 0.42 0.82 -1.51 0.00 0.00 179.97 180.01 1smk h ILE 250 N 0.30 0.81 0.00 1.20 2.04 -1.06 0.73 117.51 121.53 1smk h ILE 250 Ca 0.16 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1smk h ILE 250 Cb 0.11 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1smk h ILE 250 CO -0.14 0.05 -0.44 1.56 0.00 0.00 0.00 178.15 179.17 1smk h GLN 251 N 0.26 0.00 -0.27 2.37 4.20 -0.90 -3.30 115.11 117.47 1smk h GLN 251 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1smk h GLN 251 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1smk h GLN 251 CO -0.06 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.19 1smk n ASN 252 N -2.73 2.70 -0.30 1.46 3.02 0.04 -3.83 115.26 115.62 1smk n ASN 252 Ca 0.03 -1.95 0.09 0.00 -0.03 0.00 0.00 54.58 52.71 1smk n ASN 252 Cb 0.52 -0.18 0.25 0.00 -0.61 0.00 0.00 39.78 39.75 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 1.71 1.41 0.52 7.41 0.00 0.29 -0.32 103.07 114.09 1smk h GLY 253 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1smk h GLY 253 CO 0.00 -0.11 -0.33 -1.33 0.00 0.00 0.00 176.54 174.77 1smk h GLY 254 N 0.55 -0.99 1.67 4.60 0.00 -1.85 -2.64 103.07 104.40 1smk h GLY 254 Ca 0.49 0.41 0.03 0.00 0.00 0.00 0.00 47.33 48.26 1smk h GLY 254 CO -0.41 -0.34 0.14 -0.91 0.00 0.00 0.00 176.54 175.02 1smk h THR 255 N -0.79 0.39 -0.45 4.70 1.35 -1.81 -0.75 112.91 115.54 1smk h THR 255 Ca -0.07 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.81 1smk h THR 255 Cb 0.64 0.88 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 1smk h THR 255 CO 0.07 0.00 0.26 -0.08 -0.25 0.00 0.00 175.52 175.51 1smk h GLU 256 N 0.00 0.50 -0.19 4.72 4.81 -0.70 0.04 114.58 123.76 1smk h GLU 256 Ca 0.05 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1smk h GLU 256 Cb 0.32 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1smk h GLU 256 CO -0.00 0.33 -0.07 0.28 -0.73 0.00 0.00 179.01 178.82 1smk h VAL 257 N 0.52 1.30 -0.65 0.32 2.07 -1.00 -1.72 116.25 117.08 1smk h VAL 257 Ca 0.18 -1.10 0.13 0.00 0.82 0.00 0.00 66.70 66.73 1smk h VAL 257 Cb 0.03 1.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 1smk h VAL 257 CO -0.09 0.33 0.17 0.58 0.02 0.00 0.00 177.57 178.58 1smk h VAL 258 N 0.09 0.62 -0.44 2.57 2.07 -1.06 0.18 116.25 120.28 1smk h VAL 258 Ca 0.05 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 1smk h VAL 258 Cb 0.54 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1smk h VAL 258 CO 0.02 0.05 0.05 -0.33 0.02 0.00 0.00 177.57 177.39 1smk h GLU 259 N 0.30 0.75 0.00 1.57 5.08 -0.87 -0.06 114.58 121.34 1smk h GLU 259 Ca 0.35 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1smk h GLU 259 Cb 0.54 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1smk h GLU 259 CO -0.42 0.79 -0.03 0.00 -1.00 0.00 0.00 179.01 178.34 1smk h ALA 260 N 0.93 1.20 -0.63 3.43 0.00 -0.24 -1.05 119.26 122.90 1smk h ALA 260 Ca 0.13 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1smk h ALA 260 Cb 0.41 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1smk h ALA 260 CO 0.01 0.04 0.12 1.63 0.00 0.00 0.00 179.25 181.05 1smk n LYS 261 N -3.41 4.32 -3.93 0.00 5.02 0.51 -4.94 118.16 115.71 1smk n LYS 261 Ca -0.02 -3.13 -0.28 0.00 -2.02 0.00 0.00 58.31 52.86 1smk n LYS 261 Cb 0.15 -2.23 -0.01 0.00 -0.02 0.00 0.00 35.03 32.92 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 0.23 -2.14 -0.29 7.82 0.00 -0.40 -0.43 120.51 125.31 1smk n ALA 262 Ca 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1smk n ALA 262 Cb 1.27 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.97 0.00 3.00 0.00 0.00 -0.11 -4.81 105.19 101.30 1smk n GLY 263 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 0.94 5.10 0.00 4.61 0.00 0.43 -4.29 120.51 127.30 1smk n ALA 264 Ca 0.00 -4.51 0.00 0.00 0.00 0.00 0.00 53.44 48.93 1smk n ALA 264 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 16.73 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 2.35 2.39 3.96 0.00 0.00 -1.26 -4.94 105.19 107.70 1smk n GLY 265 Ca 0.33 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 1smk n GLY 265 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1smk s SER 266 N 0.00 5.01 0.22 1.61 1.04 -1.26 -4.39 113.70 115.92 1smk s SER 266 Ca 0.00 -0.91 -0.32 0.00 0.48 0.00 0.00 55.95 55.20 1smk s SER 266 Cb 0.00 0.08 -0.14 0.00 0.10 0.00 0.00 66.02 66.06 1smk s SER 266 CO 0.00 -1.08 1.39 0.00 0.98 0.00 0.00 173.24 174.52 1smk n ALA 267 N -1.93 0.83 0.00 5.32 0.00 -1.26 -4.88 120.51 118.59 1smk n ALA 267 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1smk n ALA 267 Cb 0.62 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1smk n ALA 267 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1smk n THR 268 N 1.97 0.00 0.28 0.00 -2.24 -1.26 -4.65 114.28 108.38 1smk n THR 268 Ca 0.13 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 1smk n THR 268 Cb 0.30 -0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 67.81 1smk n THR 268 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1smk h LEU 269 N 0.00 -0.61 -1.97 3.22 3.38 -1.90 -1.43 115.31 116.01 1smk h LEU 269 Ca 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1smk h LEU 269 Cb 0.59 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1smk h LEU 269 CO 0.00 -0.31 -0.09 0.77 0.09 0.00 0.00 178.44 178.90 1smk h SER 270 N -0.90 0.00 0.18 -0.43 4.64 -1.99 -2.02 113.55 113.03 1smk h SER 270 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1smk h SER 270 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1smk h SER 270 CO 0.12 0.09 -0.09 -0.03 -0.87 0.00 0.00 176.83 176.06 1smk h MET 271 N 0.00 -0.23 -0.02 4.77 1.85 -1.79 -1.00 114.93 118.51 1smk h MET 271 Ca -0.00 0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.14 1smk h MET 271 Cb 0.19 0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.22 1smk h MET 271 CO 0.01 0.17 -0.41 0.00 -0.40 0.00 0.00 176.91 176.28 1smk h ALA 272 N -0.10 -0.63 -0.58 0.39 0.00 -1.05 0.31 119.26 117.59 1smk h ALA 272 Ca -0.02 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1smk h ALA 272 Cb 0.51 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1smk h ALA 272 CO 0.04 -0.94 -0.42 -0.92 0.00 0.00 0.00 179.25 177.01 1smk h TYR 273 N -0.55 -1.23 -0.76 0.00 3.20 -1.41 0.11 116.97 116.34 1smk h TYR 273 Ca 0.05 0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.05 1smk h TYR 273 Cb 0.64 0.62 -0.05 0.00 1.54 0.00 0.00 36.73 39.48 1smk h TYR 273 CO -0.43 -0.42 0.46 0.00 -1.64 0.00 0.00 178.16 176.13 1smk h ALA 274 N 0.68 1.02 -0.77 1.82 0.00 -0.30 -1.84 119.26 119.87 1smk h ALA 274 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1smk h ALA 274 Cb 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1smk h ALA 274 CO -0.69 0.20 0.33 0.00 0.00 0.00 0.00 179.25 179.09 1smk h ALA 275 N 1.35 1.14 -0.13 0.00 0.00 0.14 -2.27 119.26 119.49 1smk h ALA 275 Ca 0.32 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1smk h ALA 275 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1smk h ALA 275 CO -0.15 0.63 -0.41 0.28 0.00 0.00 0.00 179.25 179.60 1smk h VAL 276 N 1.10 1.31 -0.55 0.00 2.07 -0.26 0.63 116.25 120.55 1smk h VAL 276 Ca 0.26 -1.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.15 1smk h VAL 276 Cb 0.17 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1smk h VAL 276 CO -0.03 0.46 -0.09 0.11 0.02 0.00 0.00 177.57 178.04 1smk h LYS 277 N 0.25 1.02 -0.09 1.57 1.57 -1.04 0.59 116.57 120.44 1smk h LYS 277 Ca 0.02 -0.36 -0.17 0.00 -1.87 0.00 0.00 60.65 58.27 1smk h LYS 277 Cb 0.83 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1smk h LYS 277 CO 0.07 1.05 -0.69 0.35 -0.57 0.00 0.00 179.45 179.66 1smk h PHE 278 N 0.91 0.50 -0.37 -1.35 3.57 -1.01 -1.33 116.94 117.86 1smk h PHE 278 Ca 0.15 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 1smk h PHE 278 Cb 0.65 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1smk h PHE 278 CO 0.04 0.95 0.04 0.00 -2.23 0.00 0.00 178.31 177.11 1smk h ALA 279 N 1.00 0.49 -0.48 2.41 0.00 0.69 -1.83 119.26 121.54 1smk h ALA 279 Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1smk h ALA 279 Cb 1.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1smk h ALA 279 CO 0.12 0.23 0.15 0.22 0.00 0.00 0.00 179.25 179.97 1smk h ASP 280 N 0.46 0.65 -0.17 0.00 3.58 0.31 -1.86 116.42 119.39 1smk h ASP 280 Ca 0.11 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1smk h ASP 280 Cb 0.40 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1smk h ASP 280 CO 0.01 0.62 0.07 0.00 -2.88 0.00 0.00 179.24 177.06 1smk h ALA 281 N 1.48 0.22 -0.57 -0.78 0.00 -0.81 -1.15 119.26 117.65 1smk h ALA 281 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1smk h ALA 281 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1smk h ALA 281 CO -0.01 -0.19 0.35 0.00 0.00 0.00 0.00 179.25 179.40 1smk h LEU 283 N 0.77 -0.61 -2.00 0.00 3.38 -1.18 0.10 115.31 115.77 1smk h LEU 283 Ca 0.21 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.40 1smk h LEU 283 Cb -0.04 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1smk h LEU 283 CO -0.04 -0.32 0.45 0.03 0.09 0.00 0.00 178.44 178.65 1smk h ARG 284 N -0.46 0.00 -0.07 1.13 3.08 -0.97 0.38 114.38 117.47 1smk h ARG 284 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1smk h ARG 284 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1smk h ARG 284 CO -0.08 0.00 -0.10 0.78 -1.07 0.00 0.00 179.97 179.50 1smk h GLY 285 N 0.00 0.21 1.09 0.04 0.00 0.16 -0.26 103.07 104.32 1smk h GLY 285 Ca 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1smk h GLY 285 CO -0.00 0.21 0.49 1.41 0.00 0.00 0.00 176.54 178.65 1smk h LEU 286 N -0.27 1.06 0.00 3.11 3.38 0.17 0.22 115.31 122.98 1smk h LEU 286 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1smk h LEU 286 Cb 0.65 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1smk h LEU 286 CO 0.02 0.84 0.00 -1.14 0.09 0.00 0.00 178.44 178.25 1smk n ARG 287 N -4.35 0.03 -1.81 1.13 0.63 0.10 -4.55 116.66 107.84 1smk n ARG 287 Ca 0.09 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1smk n ARG 287 Cb 0.09 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.50 1smk n ARG 287 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1smk n GLY 288 N -1.08 0.76 3.81 5.14 0.00 0.69 -5.06 105.19 109.46 1smk n GLY 288 Ca 0.01 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.83 6.88 0.48 1.61 1.11 -0.12 -5.01 116.67 118.78 1smk s ASP 289 Ca 0.00 1.75 -0.11 0.00 0.18 0.00 0.00 52.55 54.38 1smk s ASP 289 Cb 0.00 -2.55 -0.06 0.00 1.07 0.00 0.00 42.92 41.38 1smk s ASP 289 CO 0.00 -0.40 0.86 0.00 1.18 0.00 0.00 175.17 176.81 1smk s ALA 290 N -2.08 3.26 -0.92 5.23 0.00 -1.26 -4.33 121.76 121.66 1smk s ALA 290 Ca 0.62 -0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 1smk s ALA 290 Cb -0.11 -2.83 0.11 0.00 0.00 0.00 0.00 23.12 20.28 1smk s ALA 290 CO 0.16 -0.25 0.30 0.41 0.00 0.00 0.00 175.76 176.37 1smk n GLY 291 N -1.82 -0.46 3.56 0.00 0.00 -1.26 -4.87 105.19 100.35 1smk n GLY 291 Ca 0.04 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.62 3.75 -0.11 1.61 1.01 -1.26 -4.97 120.40 117.81 1smk s VAL 292 Ca 0.39 0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.96 1smk s VAL 292 Cb -0.22 -4.60 -0.00 0.00 0.00 0.00 0.00 36.38 31.55 1smk s VAL 292 CO 0.48 -1.42 -0.21 -0.63 0.00 0.00 0.00 175.10 173.32 1smk s ILE 293 N 6.10 2.29 0.13 2.22 1.01 -1.26 0.69 121.20 132.38 1smk s ILE 293 Ca 0.46 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 1smk s ILE 293 Cb -0.09 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 1smk s ILE 293 CO 0.21 0.55 0.15 -1.61 0.00 0.00 0.00 174.94 174.24 1smk s GLU 294 N 0.39 0.96 0.07 2.79 0.41 -0.65 -4.96 118.70 117.70 1smk s GLU 294 Ca -0.16 -1.25 -0.11 0.00 -0.41 0.00 0.00 54.97 53.04 1smk s GLU 294 Cb -0.17 0.30 -0.06 0.00 -1.78 0.00 0.00 34.13 32.42 1smk s GLU 294 CO 0.07 -0.30 0.41 0.00 -0.49 0.00 0.00 175.26 174.95 1smk s ALA 296 N -1.35 -1.84 -0.55 0.00 0.00 -1.20 -4.51 121.76 112.31 1smk s ALA 296 Ca 0.32 1.35 -0.23 0.00 0.00 0.00 0.00 51.96 53.40 1smk s ALA 296 Cb -0.14 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.80 1smk s ALA 296 CO 0.17 -0.41 0.89 0.12 0.00 0.00 0.00 175.76 176.53 1smk s PHE 297 N -1.55 2.83 0.00 0.00 5.36 -0.38 -2.29 117.98 121.96 1smk s PHE 297 Ca -0.04 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 1smk s PHE 297 Cb -0.00 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.69 1smk s PHE 297 CO 0.02 -1.31 0.00 1.33 -1.46 0.00 0.00 175.22 173.80 1smk n VAL 298 N 6.08 0.00 -3.35 3.12 0.24 -1.19 -0.42 118.33 122.81 1smk n VAL 298 Ca -0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 1smk n VAL 298 Cb 0.47 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.75 1smk n VAL 298 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1smk s SER 299 N -0.40 6.25 0.19 -1.34 0.15 -1.26 -1.44 113.70 115.84 1smk s SER 299 Ca 0.00 0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.66 1smk s SER 299 Cb 0.00 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1smk s SER 299 CO 0.00 -0.32 0.13 -0.94 1.20 0.00 0.00 173.24 173.31 1smk s SER 300 N 1.70 0.17 0.00 5.45 1.04 0.44 -4.94 113.70 117.57 1smk s SER 300 Ca 0.15 -1.32 0.11 0.00 0.48 0.00 0.00 55.95 55.37 1smk s SER 300 Cb -0.16 0.37 0.08 0.00 0.10 0.00 0.00 66.02 66.42 1smk s SER 300 CO 0.11 -0.83 0.84 0.00 0.98 0.00 0.00 173.24 174.34 1smk n GLN 301 N -0.24 0.49 0.32 4.02 3.00 -1.26 -4.39 117.38 119.33 1smk n GLN 301 Ca 0.00 -1.13 0.16 0.00 -0.01 0.00 0.00 57.00 56.02 1smk n GLN 301 Cb 0.65 -1.20 0.84 0.00 0.00 0.00 0.00 30.24 30.53 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 2.08 0.00 -4.04 5.09 2.07 -1.94 -3.40 116.25 116.11 1smk h VAL 302 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1smk h VAL 302 Cb 0.44 0.68 -0.15 0.00 -1.52 0.00 0.00 31.29 30.75 1smk h VAL 302 CO 0.00 0.00 -0.55 -0.89 0.02 0.00 0.00 177.57 176.15 1smk s THR 303 N -4.05 0.18 0.36 2.57 2.01 -1.26 -4.91 115.64 110.55 1smk s THR 303 Ca -0.03 -1.52 0.08 0.00 0.31 0.00 0.00 61.69 60.53 1smk s THR 303 Cb 0.09 -1.42 0.31 0.00 0.01 0.00 0.00 72.50 71.49 1smk s THR 303 CO 0.28 -0.84 1.91 1.05 -0.69 0.00 0.00 174.62 176.33 1smk h GLU 304 N 3.00 0.69 -6.89 4.92 9.09 -1.91 -3.42 114.58 120.06 1smk h GLU 304 Ca -0.34 -0.04 -0.57 0.00 0.05 0.00 0.00 59.36 58.46 1smk h GLU 304 Cb 1.17 -0.16 0.16 0.00 -1.65 0.00 0.00 28.75 28.27 1smk h GLU 304 CO 0.61 0.46 0.21 1.28 0.05 0.00 0.00 179.01 181.62 1smk n LEU 305 N -4.52 4.21 -0.02 3.06 4.32 -1.26 -4.94 117.00 117.86 1smk n LEU 305 Ca 0.15 0.81 -0.09 0.00 -0.02 0.00 0.00 56.01 56.85 1smk n LEU 305 Cb 0.38 -1.43 0.06 0.00 -1.62 0.00 0.00 43.42 40.81 1smk n LEU 305 CO 0.31 -1.67 0.53 1.55 -1.22 0.00 0.00 177.39 176.90 1smk h PRO 306 N 0.49 0.61 -6.06 3.23 0.13 -1.82 -3.42 132.00 125.16 1smk h PRO 306 Ca -0.49 -0.35 -0.56 0.00 -0.87 0.00 0.00 66.00 63.73 1smk h PRO 306 Cb 1.36 0.02 -0.24 0.00 0.13 0.00 0.00 31.00 32.27 1smk h PRO 306 CO 0.51 0.95 -0.83 -0.06 -0.23 0.00 0.00 178.00 178.34 1smk s PHE 307 N -4.15 1.76 -0.28 1.56 0.40 -1.26 -0.42 117.98 115.59 1smk s PHE 307 Ca -0.08 -0.39 -0.23 0.00 -0.60 0.00 0.00 56.93 55.63 1smk s PHE 307 Cb 0.12 -1.01 0.13 0.00 0.51 0.00 0.00 43.02 42.77 1smk s PHE 307 CO 0.84 0.14 1.04 0.12 0.70 0.00 0.00 175.22 178.06 1smk s PHE 308 N -0.97 -0.47 -0.15 0.36 5.36 -0.52 -4.84 117.98 116.74 1smk s PHE 308 Ca 0.06 1.10 -0.27 0.00 -0.96 0.00 0.00 56.93 56.87 1smk s PHE 308 Cb -0.09 0.37 -0.01 0.00 -0.34 0.00 0.00 43.02 42.94 1smk s PHE 308 CO 0.03 -0.23 0.90 0.00 -1.46 0.00 0.00 175.22 174.46 1smk s ALA 309 N 0.43 3.49 0.20 11.12 0.00 0.18 -3.15 121.76 134.03 1smk s ALA 309 Ca 0.01 0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 1smk s ALA 309 Cb -0.05 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1smk s ALA 309 CO -0.09 -0.66 0.56 -1.54 0.00 0.00 0.00 175.76 174.04 1smk s SER 310 N 1.13 -0.31 0.27 0.00 1.04 -0.97 -0.74 113.70 114.12 1smk s SER 310 Ca 0.42 -0.41 -0.30 0.00 0.48 0.00 0.00 55.95 56.15 1smk s SER 310 Cb -0.17 0.60 -0.14 0.00 0.10 0.00 0.00 66.02 66.41 1smk s SER 310 CO 0.14 -1.07 1.19 0.29 0.98 0.00 0.00 173.24 174.76 1smk n LYS 311 N -0.36 1.66 -3.95 4.02 5.02 -1.26 -3.27 118.16 120.02 1smk n LYS 311 Ca -0.11 0.58 -0.10 0.00 -2.02 0.00 0.00 58.31 56.67 1smk n LYS 311 Cb 0.62 -2.09 -0.11 0.00 -0.02 0.00 0.00 35.03 33.43 1smk n LYS 311 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1smk s VAL 312 N -0.68 0.09 -0.20 -0.18 -7.23 0.01 -1.23 120.40 110.97 1smk s VAL 312 Ca 0.63 -0.73 -0.11 0.00 -1.81 0.00 0.00 61.98 59.95 1smk s VAL 312 Cb -0.68 -0.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.96 1smk s VAL 312 CO 0.57 -0.40 0.20 -0.60 -0.31 0.00 0.00 175.10 174.55 1smk s ARG 313 N -1.20 4.18 -0.14 4.82 3.52 -0.42 -1.64 118.95 128.06 1smk s ARG 313 Ca -0.13 -0.12 -0.14 0.00 -0.13 0.00 0.00 55.73 55.21 1smk s ARG 313 Cb -0.08 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 1smk s ARG 313 CO -0.00 0.20 0.31 -0.51 -0.81 0.00 0.00 175.30 174.49 1smk s LEU 314 N 0.62 4.27 0.00 -0.88 1.43 0.22 -1.37 118.68 122.96 1smk s LEU 314 Ca 0.11 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1smk s LEU 314 Cb -0.12 -2.40 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 1smk s LEU 314 CO 0.02 0.12 0.04 0.61 0.23 0.00 0.00 176.35 177.37 1smk n GLY 315 N 3.20 3.88 0.44 -3.19 0.00 0.35 -4.40 105.19 105.47 1smk n GLY 315 Ca -0.12 -1.73 0.25 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 -0.15 1.61 3.08 -1.62 0.50 114.38 117.80 1smk h ARG 316 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1smk h ARG 316 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1smk h ARG 316 CO 0.05 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.04 1smk n ASN 317 N -3.80 2.80 0.00 7.04 3.02 -1.26 -4.76 115.26 118.31 1smk n ASN 317 Ca 0.14 -2.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1smk n ASN 317 Cb 0.91 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1smk n ASN 317 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1smk n GLY 318 N -0.50 0.68 3.60 7.41 0.00 0.17 -4.41 105.19 112.14 1smk n GLY 318 Ca 0.12 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 4.33 -0.97 -0.61 1.01 0.86 0.13 121.20 125.96 1smk s ILE 319 Ca 0.00 1.27 0.24 0.00 0.00 0.00 0.00 60.65 62.17 1smk s ILE 319 Cb 0.00 -4.52 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 1smk s ILE 319 CO 0.00 -0.84 1.32 -0.62 0.00 0.00 0.00 174.94 174.80 1smk n GLU 320 N 7.47 0.02 -3.64 2.79 1.02 -0.47 -4.82 120.64 123.02 1smk n GLU 320 Ca 0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.19 1smk n GLU 320 Cb 0.48 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 1smk n GLU 320 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1smk s GLU 321 N -3.02 0.29 -0.30 3.49 2.12 -1.24 -4.98 118.70 115.07 1smk s GLU 321 Ca 0.10 0.29 -0.01 0.00 0.36 0.00 0.00 54.97 55.71 1smk s GLU 321 Cb 0.17 0.14 0.05 0.00 0.26 0.00 0.00 34.13 34.75 1smk s GLU 321 CO 0.73 -0.05 -0.00 0.08 -0.54 0.00 0.00 175.26 175.48 1smk s VAL 322 N -0.06 2.93 0.50 3.70 1.01 -1.26 -1.30 120.40 125.91 1smk s VAL 322 Ca 0.05 -1.43 -0.18 0.00 0.00 0.00 0.00 61.98 60.42 1smk s VAL 322 Cb -0.04 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 1smk s VAL 322 CO -0.10 -0.12 0.99 -0.31 0.00 0.00 0.00 175.10 175.57 1smk s TYR 323 N 1.24 3.31 0.85 5.22 2.02 -0.36 -4.99 117.35 124.63 1smk s TYR 323 Ca -0.05 1.52 -0.12 0.00 -0.37 0.00 0.00 57.07 58.05 1smk s TYR 323 Cb -0.20 -2.86 0.10 0.00 -0.40 0.00 0.00 41.96 38.60 1smk s TYR 323 CO -0.01 -0.44 1.13 -1.54 -1.57 0.00 0.00 175.55 173.11 1smk s SER 324 N -2.68 4.06 0.43 2.29 1.04 -1.26 -4.39 113.70 113.19 1smk s SER 324 Ca 0.61 1.07 0.13 0.00 0.48 0.00 0.00 55.95 58.24 1smk s SER 324 Cb -0.11 -1.70 0.95 0.00 0.10 0.00 0.00 66.02 65.27 1smk s SER 324 CO 0.26 -2.21 1.98 -0.07 0.98 0.00 0.00 173.24 174.17 1smk h LEU 325 N -1.26 0.06 0.00 2.42 3.38 -1.97 -3.44 115.31 114.49 1smk h LEU 325 Ca -0.49 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1smk h LEU 325 Cb 1.31 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1smk h LEU 325 CO 0.62 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.98 1smk n GLY 326 N -1.01 -1.76 3.70 0.83 0.00 -1.26 -4.89 105.19 100.80 1smk n GLY 326 Ca -0.02 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 4.28 0.12 1.61 0.04 -1.26 -5.03 135.00 134.76 1smk s PRO 327 Ca 0.00 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.20 1smk s PRO 327 Cb 0.00 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1smk s PRO 327 CO 0.00 -0.56 -0.26 -0.51 0.04 0.00 0.00 177.00 175.70 1smk s LEU 328 N 2.09 2.30 0.58 -3.56 1.43 -1.26 -4.77 118.68 115.50 1smk s LEU 328 Ca 0.66 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1smk s LEU 328 Cb -0.34 -1.20 0.07 0.00 0.03 0.00 0.00 46.19 44.75 1smk s LEU 328 CO 0.28 0.18 0.81 0.54 0.23 0.00 0.00 176.35 178.39 1smk s ASN 329 N -1.97 5.03 0.11 2.29 2.20 -1.26 -4.85 114.94 116.49 1smk s ASN 329 Ca 0.13 -0.36 -0.33 0.00 -0.94 0.00 0.00 52.86 51.36 1smk s ASN 329 Cb -0.10 -0.34 -0.12 0.00 -2.00 0.00 0.00 41.25 38.69 1smk s ASN 329 CO 0.05 -1.33 1.57 -0.08 -2.94 0.00 0.00 177.10 174.37 1smk h GLU 330 N 0.02 -0.68 -0.65 3.55 4.81 -2.01 0.72 114.58 120.34 1smk h GLU 330 Ca -0.37 0.05 0.19 0.00 -0.13 0.00 0.00 59.36 59.09 1smk h GLU 330 Cb 1.28 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.79 1smk h GLU 330 CO 0.45 -0.45 0.74 -0.92 -0.73 0.00 0.00 179.01 178.09 1smk h TYR 331 N -0.70 0.00 0.00 0.92 3.20 -1.98 0.48 116.97 118.88 1smk h TYR 331 Ca 0.01 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.66 1smk h TYR 331 Cb 0.73 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 1smk h TYR 331 CO -0.44 0.00 -1.76 0.39 -1.64 0.00 0.00 178.16 174.71 1smk n GLU 332 N -3.52 0.64 0.08 1.82 1.02 -0.28 -1.87 120.64 118.54 1smk n GLU 332 Ca 0.13 0.14 -0.09 0.00 -0.02 0.00 0.00 57.16 57.33 1smk n GLU 332 Cb 0.97 -1.71 -0.02 0.00 -0.02 0.00 0.00 31.44 30.66 1smk n GLU 332 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1smk h ARG 333 N 0.00 0.21 0.02 3.49 3.08 0.20 0.17 114.38 121.55 1smk h ARG 333 Ca -0.26 -0.24 -0.24 0.00 0.07 0.00 0.00 59.98 59.31 1smk h ARG 333 Cb 1.77 0.07 0.02 0.00 0.08 0.00 0.00 29.97 31.91 1smk h ARG 333 CO 0.04 0.97 -0.93 0.82 -1.07 0.00 0.00 179.97 179.80 1smk h ILE 334 N 0.12 1.33 0.00 2.04 2.04 -0.81 -1.93 117.51 120.29 1smk h ILE 334 Ca -0.05 -2.23 -0.06 0.00 1.00 0.00 0.00 64.86 63.52 1smk h ILE 334 Cb 1.52 2.51 -0.01 0.00 -0.74 0.00 0.00 36.82 40.11 1smk h ILE 334 CO 0.14 0.68 -0.29 1.23 0.00 0.00 0.00 178.15 179.90 1smk h GLY 335 N 0.21 0.00 0.25 5.37 0.00 -1.31 -3.03 103.07 104.55 1smk h GLY 335 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1smk h GLY 335 CO 0.18 0.00 -0.02 -2.00 0.00 0.00 0.00 176.54 174.70 1smk h LEU 336 N 0.00 -0.06 -1.11 3.11 5.85 -0.60 -2.41 115.31 120.10 1smk h LEU 336 Ca -0.00 -0.60 0.23 0.00 0.84 0.00 0.00 57.88 58.34 1smk h LEU 336 Cb 0.52 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.46 1smk h LEU 336 CO 0.04 0.64 0.62 -0.08 -0.34 0.00 0.00 178.44 179.31 1smk h GLU 337 N -0.82 0.59 -0.04 1.25 4.57 -1.33 -0.32 114.58 118.48 1smk h GLU 337 Ca -0.01 -0.04 -0.21 0.00 -1.18 0.00 0.00 59.36 57.92 1smk h GLU 337 Cb 0.66 -0.13 0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1smk h GLU 337 CO 0.01 0.39 -0.81 0.87 -1.18 0.00 0.00 179.01 178.29 1smk h LYS 338 N 0.60 0.62 -0.50 1.92 1.57 -1.60 -3.18 116.57 116.01 1smk h LYS 338 Ca 0.60 -0.61 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1smk h LYS 338 Cb 1.15 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 33.55 1smk h LYS 338 CO -0.38 1.22 0.04 0.00 -0.57 0.00 0.00 179.45 179.76 1smk h ALA 339 N 0.42 0.50 0.34 3.86 0.00 -0.55 -2.42 119.26 121.41 1smk h ALA 339 Ca -0.09 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1smk h ALA 339 Cb 1.47 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1smk h ALA 339 CO 0.16 -0.36 -0.33 0.87 0.00 0.00 0.00 179.25 179.59 1smk h LYS 340 N 0.16 -0.67 -0.87 0.00 1.57 -1.42 -0.21 116.57 115.12 1smk h LYS 340 Ca 0.25 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.17 1smk h LYS 340 Cb 0.37 0.15 -0.12 0.00 0.08 0.00 0.00 32.23 32.71 1smk h LYS 340 CO -0.38 -0.45 -0.54 0.87 -0.57 0.00 0.00 179.45 178.38 1smk h LYS 341 N -0.70 -0.08 -0.14 3.15 1.57 -1.42 0.15 116.57 119.10 1smk h LYS 341 Ca -0.02 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1smk h LYS 341 Cb 0.63 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1smk h LYS 341 CO -0.06 -0.05 -0.31 1.49 -0.57 0.00 0.00 179.45 179.95 1smk h GLU 342 N -0.08 0.27 -0.43 3.15 4.81 -1.39 -3.20 114.58 117.70 1smk h GLU 342 Ca 0.17 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1smk h GLU 342 Cb 0.48 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1smk h GLU 342 CO -0.87 0.56 -0.11 1.25 -0.73 0.00 0.00 179.01 179.10 1smk h LEU 343 N 0.24 0.85 -2.18 1.64 5.85 0.11 -2.83 115.31 118.99 1smk h LEU 343 Ca 0.03 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.43 1smk h LEU 343 Cb 0.67 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1smk h LEU 343 CO 0.05 1.02 0.14 0.00 -0.34 0.00 0.00 178.44 179.31 1smk h ALA 344 N 0.86 1.91 -0.11 1.25 0.00 -0.87 -0.31 119.26 121.99 1smk h ALA 344 Ca 0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1smk h ALA 344 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1smk h ALA 344 CO 0.04 -0.22 -0.34 0.78 0.00 0.00 0.00 179.25 179.52 1smk h GLY 345 N 0.00 0.46 0.90 0.00 0.00 -1.59 -1.89 103.07 100.95 1smk h GLY 345 Ca 0.07 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1smk h GLY 345 CO -0.00 0.53 0.02 1.76 0.00 0.00 0.00 176.54 178.85 1smk h SER 346 N -0.02 0.05 -0.96 0.19 0.02 -1.16 0.80 113.55 112.47 1smk h SER 346 Ca -0.01 -0.11 0.11 0.00 -0.84 0.00 0.00 61.79 60.94 1smk h SER 346 Cb 0.96 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 1smk h SER 346 CO 0.07 0.14 0.61 0.40 -1.14 0.00 0.00 176.83 176.92 1smk h ILE 347 N -0.05 0.94 -0.10 3.27 2.04 -1.15 -0.58 117.51 121.87 1smk h ILE 347 Ca 0.01 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1smk h ILE 347 Cb 0.11 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1smk h ILE 347 CO -0.00 0.17 -0.14 -0.08 0.00 0.00 0.00 178.15 178.10 1smk h GLU 348 N 0.95 0.28 -0.40 2.37 4.57 -0.73 -1.63 114.58 119.99 1smk h GLU 348 Ca 0.46 -0.16 0.12 0.00 -1.18 0.00 0.00 59.36 58.60 1smk h GLU 348 Cb 0.46 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1smk h GLU 348 CO -0.22 0.73 0.36 -0.22 -1.18 0.00 0.00 179.01 178.47 1smk h LYS 349 N -0.15 0.00 0.00 1.92 3.64 0.17 -1.26 116.57 120.89 1smk h LYS 349 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1smk h LYS 349 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1smk h LYS 349 CO 0.03 0.00 -0.10 0.78 -2.27 0.00 0.00 179.45 177.89 1smk h GLY 350 N 0.00 0.00 -0.45 5.01 0.00 -0.95 -3.28 103.07 103.41 1smk h GLY 350 Ca 0.19 0.00 0.33 0.00 0.00 0.00 0.00 47.33 47.85 1smk h GLY 350 CO -0.00 0.00 0.76 -2.08 0.00 0.00 0.00 176.54 175.21 1smk h VAL 351 N -0.46 0.39 0.63 4.60 2.07 -1.22 -0.82 116.25 121.44 1smk h VAL 351 Ca 0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1smk h VAL 351 Cb 0.10 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1smk h VAL 351 CO 0.00 0.05 -0.39 -1.28 0.02 0.00 0.00 177.57 175.97 1smk h SER 352 N 0.25 -0.98 -1.34 0.57 0.87 -1.39 -1.84 113.55 109.68 1smk h SER 352 Ca 0.65 0.05 0.45 0.00 -1.23 0.00 0.00 61.79 61.72 1smk h SER 352 Cb 1.93 0.29 -0.13 0.00 -0.44 0.00 0.00 62.40 64.04 1smk h SER 352 CO -0.28 -0.60 0.86 0.15 -0.53 0.00 0.00 176.83 176.43 1smk h PHE 353 N -0.96 0.52 0.00 2.24 3.57 -1.20 -2.21 116.94 118.90 1smk h PHE 353 Ca -0.09 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1smk h PHE 353 Cb 0.77 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1smk h PHE 353 CO -0.06 -0.24 -0.23 0.82 -2.23 0.00 0.00 178.31 176.37 1smk h ILE 354 N 0.06 0.57 0.00 1.41 1.08 -1.47 -3.38 117.51 115.78 1smk h ILE 354 Ca 0.84 -1.48 -0.17 0.00 -0.39 0.00 0.00 64.86 63.66 1smk h ILE 354 Cb 2.67 1.13 -0.06 0.00 -3.07 0.00 0.00 36.82 37.48 1smk h ILE 354 CO -0.44 0.19 -0.30 0.54 -0.69 0.00 0.00 178.15 177.45 1smk n ARG 355 N -4.67 1.80 0.00 2.37 1.74 -0.71 -5.09 116.66 112.11 1smk n ARG 355 Ca -0.07 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 1smk n ARG 355 Cb 0.25 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1smk n ARG 355 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54