#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 3.49 -0.30 1.61 0.40 -0.57 -4.64 117.98 117.96 1smk s PHE 45 Ca 0.00 0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 56.63 1smk s PHE 45 Cb 0.00 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 1smk s PHE 45 CO 0.00 0.49 0.41 0.15 0.70 0.00 0.00 175.22 176.97 1smk s LYS 46 N -2.57 3.83 -0.08 0.44 1.02 -1.26 -0.93 119.74 120.19 1smk s LYS 46 Ca 0.38 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.29 1smk s LYS 46 Cb -0.12 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 1smk s LYS 46 CO 0.25 -0.41 -0.07 0.08 -0.92 0.00 0.00 175.35 174.28 1smk s VAL 47 N 2.14 3.70 -0.01 3.17 1.01 0.38 -0.10 120.40 130.69 1smk s VAL 47 Ca 0.15 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1smk s VAL 47 Cb -0.16 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1smk s VAL 47 CO 0.11 0.58 -0.25 0.00 0.00 0.00 0.00 175.10 175.54 1smk s ALA 48 N -0.64 2.09 -0.17 5.51 0.00 -0.26 -0.83 121.76 127.46 1smk s ALA 48 Ca 0.10 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1smk s ALA 48 Cb -0.12 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1smk s ALA 48 CO 0.02 0.51 -0.20 0.42 0.00 0.00 0.00 175.76 176.51 1smk s ILE 49 N -0.62 2.08 -0.37 0.00 1.01 0.57 -0.78 121.20 123.10 1smk s ILE 49 Ca 0.10 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 1smk s ILE 49 Cb -0.10 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 1smk s ILE 49 CO -0.01 0.54 0.32 -0.76 0.00 0.00 0.00 174.94 175.04 1smk s LEU 50 N 1.17 4.66 0.00 2.97 1.43 -0.29 -0.53 118.68 128.09 1smk s LEU 50 Ca 0.02 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1smk s LEU 50 Cb -0.14 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1smk s LEU 50 CO -0.10 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.73 1smk n GLY 51 N 5.07 0.98 0.22 -3.19 0.00 0.80 -1.56 105.19 107.50 1smk n GLY 51 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 1.04 -0.00 4.61 0.00 -0.99 -3.07 119.26 120.84 1smk h ALA 52 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1smk h ALA 52 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1smk h ALA 52 CO 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 179.25 179.81 1smk n ALA 53 N -2.49 2.59 -1.05 0.00 0.00 -1.26 0.04 120.51 118.34 1smk n ALA 53 Ca -0.01 -0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.06 1smk n ALA 53 Cb 0.46 -1.45 0.23 0.00 0.00 0.00 0.00 19.45 18.70 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 1.25 -2.76 0.31 0.00 0.00 -1.16 -4.65 105.19 98.19 1smk n GLY 54 Ca 0.15 -1.49 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.57 0.97 0.71 -0.02 0.00 -1.91 -2.65 103.07 97.62 1smk h GLY 55 Ca -0.38 -0.54 -0.34 0.00 0.00 0.00 0.00 47.33 46.06 1smk h GLY 55 CO 0.25 0.51 -1.92 1.39 0.00 0.00 0.00 176.54 176.77 1smk n ILE 56 N -4.28 1.73 -0.02 2.60 5.41 -1.26 -4.46 119.36 119.07 1smk n ILE 56 Ca 0.05 -0.70 -0.12 0.00 1.00 0.00 0.00 62.75 62.97 1smk n ILE 56 Cb 0.21 -1.51 -0.06 0.00 -0.71 0.00 0.00 39.64 37.57 1smk n ILE 56 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1smk h GLY 57 N 1.87 -0.72 0.34 7.39 0.00 -1.60 -2.29 103.07 108.06 1smk h GLY 57 Ca -0.38 0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1smk h GLY 57 CO 0.08 -0.21 -0.35 1.46 0.00 0.00 0.00 176.54 177.52 1smk h GLN 58 N -0.47 -0.66 -0.94 4.80 4.20 -0.02 0.68 115.11 122.68 1smk h GLN 58 Ca 0.08 0.05 0.25 0.00 0.06 0.00 0.00 58.65 59.08 1smk h GLN 58 Cb 0.62 0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.43 1smk h GLN 58 CO -0.43 -0.44 0.47 -1.35 -0.67 0.00 0.00 178.83 176.41 1smk h PRO 59 N -0.69 0.41 0.22 1.46 0.11 -1.77 0.32 132.00 132.06 1smk h PRO 59 Ca -0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1smk h PRO 59 Cb 0.60 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1smk h PRO 59 CO -0.05 0.27 -0.11 1.25 -0.21 0.00 0.00 178.00 179.16 1smk h LEU 60 N 0.43 -0.25 -0.89 2.35 5.85 -0.88 -1.54 115.31 120.37 1smk h LEU 60 Ca 0.61 -0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.37 1smk h LEU 60 Cb 1.22 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.22 1smk h LEU 60 CO -0.54 -0.05 0.50 0.00 -0.34 0.00 0.00 178.44 178.01 1smk h ALA 61 N 0.30 1.35 -0.59 1.25 0.00 0.33 0.35 119.26 122.25 1smk h ALA 61 Ca -0.03 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1smk h ALA 61 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1smk h ALA 61 CO 0.05 0.01 0.10 1.98 0.00 0.00 0.00 179.25 181.38 1smk h MET 62 N 0.74 0.96 0.00 0.00 1.85 -0.24 -2.14 114.93 116.09 1smk h MET 62 Ca 0.47 -0.24 -0.10 0.00 -0.61 0.00 0.00 59.70 59.23 1smk h MET 62 Cb 0.60 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.49 1smk h MET 62 CO -0.33 0.89 -0.47 -0.07 -0.40 0.00 0.00 176.91 176.53 1smk h LEU 63 N 0.91 0.00 0.03 3.39 3.38 0.04 -2.86 115.31 120.21 1smk h LEU 63 Ca 0.19 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 1smk h LEU 63 Cb 0.40 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.16 1smk h LEU 63 CO 0.01 0.47 -0.80 0.24 0.09 0.00 0.00 178.44 178.45 1smk h MET 64 N 0.00 0.48 -0.55 1.13 2.86 -0.98 -2.90 114.93 114.97 1smk h MET 64 Ca -0.00 -0.56 0.16 0.00 -2.06 0.00 0.00 59.70 57.23 1smk h MET 64 Cb 1.01 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 1smk h MET 64 CO 0.06 1.20 0.44 -0.22 1.06 0.00 0.00 176.91 179.45 1smk h LYS 65 N 0.01 0.00 -0.00 1.72 1.63 -1.36 0.67 116.57 119.24 1smk h LYS 65 Ca -0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1smk h LYS 65 Cb 1.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 1smk h LYS 65 CO 0.16 0.00 -0.22 -1.33 -3.45 0.00 0.00 179.45 174.60 1smk n MET 66 N -4.18 0.62 -2.91 1.90 2.81 -1.08 -4.44 117.12 109.84 1smk n MET 66 Ca 0.10 -0.30 -0.41 0.00 -1.81 0.00 0.00 57.70 55.28 1smk n MET 66 Cb 0.66 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.64 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 -2.58 6.94 0.52 7.83 3.84 0.23 -4.94 114.94 126.78 1smk s ASN 67 Ca 0.24 1.16 0.17 0.00 0.21 0.00 0.00 52.86 54.64 1smk s ASN 67 Cb 0.19 -2.45 1.29 0.00 -0.55 0.00 0.00 41.25 39.74 1smk s ASN 67 CO 0.53 -0.37 2.14 1.55 -2.79 0.00 0.00 177.10 178.15 1smk h PRO 68 N 7.31 0.00 -0.02 0.43 0.13 -1.89 -1.94 132.00 136.02 1smk h PRO 68 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1smk h PRO 68 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1smk h PRO 68 CO 0.83 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.90 1smk n LEU 69 N -4.44 0.34 -4.62 1.56 4.77 -1.26 -4.73 117.00 108.62 1smk n LEU 69 Ca -0.03 -0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.45 1smk n LEU 69 Cb 0.11 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1smk n LEU 69 CO 0.34 0.06 -0.18 -0.69 -1.33 0.00 0.00 177.39 175.59 1smk s VAL 70 N -1.98 5.27 -0.21 4.08 1.01 -0.73 -1.51 120.40 126.32 1smk s VAL 70 Ca 0.38 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1smk s VAL 70 Cb 0.18 -3.47 -0.15 0.00 0.00 0.00 0.00 36.38 32.94 1smk s VAL 70 CO 0.30 0.32 -0.16 -1.54 0.00 0.00 0.00 175.10 174.01 1smk n SER 71 N 4.57 2.15 -4.24 3.32 3.41 -0.11 -2.71 113.62 120.01 1smk n SER 71 Ca -0.15 -0.10 -0.24 0.00 -0.26 0.00 0.00 58.87 58.11 1smk n SER 71 Cb 0.52 -0.21 -0.14 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.43 1.59 -0.14 -3.33 1.01 -1.22 0.36 120.40 116.24 1smk s VAL 72 Ca -0.27 -1.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.43 1smk s VAL 72 Cb 0.07 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 35.10 1smk s VAL 72 CO 0.52 0.12 0.11 -0.22 0.00 0.00 0.00 175.10 175.64 1smk s LEU 73 N -1.32 0.19 -0.31 3.92 2.96 0.72 -0.47 118.68 124.37 1smk s LEU 73 Ca 0.06 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 1smk s LEU 73 Cb -0.09 -0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.50 1smk s LEU 73 CO 0.02 -0.32 0.20 -1.00 -1.32 0.00 0.00 176.35 173.93 1smk s HIS 74 N 2.19 3.21 -0.32 5.38 3.76 -0.01 -0.69 115.29 128.80 1smk s HIS 74 Ca 0.03 -0.16 -0.12 0.00 -0.15 0.00 0.00 55.06 54.67 1smk s HIS 74 Cb -0.15 -2.40 -0.02 0.00 1.11 0.00 0.00 32.58 31.12 1smk s HIS 74 CO -0.08 -0.30 0.20 -0.51 -0.85 0.00 0.00 174.74 173.20 1smk s LEU 75 N 1.71 4.29 0.14 0.89 1.43 0.48 -0.32 118.68 127.31 1smk s LEU 75 Ca 0.06 -0.37 0.09 0.00 -1.03 0.00 0.00 54.13 52.89 1smk s LEU 75 Cb -0.17 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1smk s LEU 75 CO 0.10 -0.18 -0.17 -0.47 0.23 0.00 0.00 176.35 175.85 1smk s TYR 76 N 1.70 2.53 -0.02 0.29 5.04 0.31 -0.89 117.35 126.31 1smk s TYR 76 Ca 0.06 -0.27 -0.29 0.00 -2.44 0.00 0.00 57.07 54.13 1smk s TYR 76 Cb -0.17 -1.31 0.10 0.00 0.35 0.00 0.00 41.96 40.94 1smk s TYR 76 CO 0.09 0.43 1.29 0.34 -1.34 0.00 0.00 175.55 176.36 1smk s ASP 77 N -2.36 -0.01 0.00 4.32 -1.08 -1.10 -0.14 116.67 116.29 1smk s ASP 77 Ca 0.20 -0.18 0.23 0.00 -0.52 0.00 0.00 52.55 52.27 1smk s ASP 77 Cb -0.10 0.14 0.06 0.00 -1.46 0.00 0.00 42.92 41.57 1smk s ASP 77 CO 0.11 -0.28 1.11 1.33 0.52 0.00 0.00 175.17 177.96 1smk n VAL 78 N -0.79 0.00 -3.53 1.11 0.24 -1.26 -1.49 118.33 112.60 1smk n VAL 78 Ca 0.00 -0.06 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 1smk n VAL 78 Cb 0.60 0.83 -0.05 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 -2.86 0.02 -1.58 3.34 -7.23 -1.26 -4.45 120.40 106.38 1smk s VAL 79 Ca 0.12 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 1smk s VAL 79 Cb 0.17 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 36.12 1smk s VAL 79 CO 0.75 -0.09 0.00 0.59 -0.31 0.00 0.00 175.10 176.04 1smk n ASN 80 N 0.33 -3.99 -0.05 4.85 3.02 -1.26 -4.66 115.26 113.49 1smk n ASN 80 Ca -0.18 0.37 -0.11 0.00 -0.03 0.00 0.00 54.58 54.63 1smk n ASN 80 Cb 0.61 -3.64 -0.05 0.00 -0.61 0.00 0.00 39.78 36.09 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 0.55 0.24 -0.75 5.41 0.00 -1.89 -2.90 119.26 119.92 1smk h ALA 81 Ca -0.30 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.55 1smk h ALA 81 Cb 0.98 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1smk h ALA 81 CO 0.45 -0.14 0.42 -1.35 0.00 0.00 0.00 179.25 178.63 1smk h PRO 82 N 0.11 0.73 -0.06 0.00 0.11 -1.89 -1.14 132.00 129.86 1smk h PRO 82 Ca 0.06 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.14 1smk h PRO 82 Cb 0.23 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1smk h PRO 82 CO -0.00 0.48 -0.05 0.78 -0.21 0.00 0.00 178.00 179.00 1smk h GLY 83 N 0.75 0.00 1.26 -0.55 0.00 -1.94 0.23 103.07 102.83 1smk h GLY 83 Ca 0.34 0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 1smk h GLY 83 CO -0.21 -0.06 0.10 -2.08 0.00 0.00 0.00 176.54 174.29 1smk h VAL 84 N -0.06 1.24 -0.01 4.60 2.07 -1.30 -1.51 116.25 121.27 1smk h VAL 84 Ca 0.04 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1smk h VAL 84 Cb 0.12 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1smk h VAL 84 CO -0.10 0.34 0.01 0.74 0.02 0.00 0.00 177.57 178.59 1smk h THR 85 N 0.87 1.05 -0.35 2.57 2.02 -0.68 -0.27 112.91 118.12 1smk h THR 85 Ca 0.18 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1smk h THR 85 Cb 0.37 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1smk h THR 85 CO 0.01 0.04 0.16 0.00 0.37 0.00 0.00 175.52 176.09 1smk h ALA 86 N 0.94 0.42 0.13 6.16 0.00 -0.32 0.90 119.26 127.49 1smk h ALA 86 Ca 0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1smk h ALA 86 Cb 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1smk h ALA 86 CO -0.00 -0.22 -0.40 0.22 0.00 0.00 0.00 179.25 178.84 1smk h ASP 87 N 0.33 -1.18 0.06 0.00 1.82 -0.97 -2.80 116.42 113.68 1smk h ASP 87 Ca 0.15 0.13 -0.05 0.00 -0.39 0.00 0.00 57.03 56.87 1smk h ASP 87 Cb 0.08 0.44 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 1smk h ASP 87 CO -0.12 -0.48 -0.15 0.40 -1.61 0.00 0.00 179.24 177.29 1smk h ILE 88 N -0.64 1.17 0.00 2.25 2.04 -0.71 -3.01 117.51 118.61 1smk h ILE 88 Ca 0.02 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1smk h ILE 88 Cb 0.67 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1smk h ILE 88 CO -0.23 0.24 0.00 0.77 0.00 0.00 0.00 178.15 178.93 1smk h SER 89 N 0.18 0.00 1.47 1.72 4.64 -0.54 -1.42 113.55 119.59 1smk h SER 89 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1smk h SER 89 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1smk h SER 89 CO 0.02 0.00 -0.01 1.41 -0.87 0.00 0.00 176.83 177.38 1smk n HIS 90 N -3.04 0.93 -1.99 4.77 8.25 -1.14 -4.82 115.22 118.19 1smk n HIS 90 Ca -0.02 0.27 -0.42 0.00 -0.26 0.00 0.00 57.72 57.29 1smk n HIS 90 Cb 0.12 -0.94 -0.03 0.00 1.12 0.00 0.00 29.99 30.26 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 4.24 -1.30 -0.41 1.00 -0.54 -4.90 119.30 114.29 1smk s MET 91 Ca 0.11 2.30 -0.08 0.00 0.00 0.00 0.00 55.69 58.01 1smk s MET 91 Cb 0.12 -3.16 0.15 0.00 0.00 0.00 0.00 34.83 31.94 1smk s MET 91 CO 0.60 -0.54 2.08 -0.40 0.00 0.00 0.00 175.02 176.76 1smk n ASP 92 N 3.65 6.25 -4.52 3.03 5.75 -1.26 -4.90 116.55 124.55 1smk n ASP 92 Ca 0.12 -3.12 -0.24 0.00 -0.01 0.00 0.00 54.79 51.54 1smk n ASP 92 Cb 0.39 -1.43 -0.11 0.00 -1.03 0.00 0.00 41.12 38.94 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 -0.19 1.68 0.02 2.12 -4.23 -1.26 -5.10 115.64 108.67 1smk s THR 93 Ca 0.45 -2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 58.84 1smk s THR 93 Cb 0.13 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1smk s THR 93 CO -0.03 -0.07 1.13 1.23 -0.54 0.00 0.00 174.62 176.33 1smk h GLY 94 N 2.00 -0.74 -4.86 3.99 0.00 -1.89 -3.45 103.07 98.12 1smk h GLY 94 Ca -0.42 0.32 -0.65 0.00 0.00 0.00 0.00 47.33 46.58 1smk h GLY 94 CO 0.74 -0.26 -0.46 0.00 0.00 0.00 0.00 176.54 176.56 1smk n ALA 95 N -2.34 -2.86 -2.68 3.60 0.00 -1.10 -4.96 120.51 110.17 1smk n ALA 95 Ca -0.03 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.51 1smk n ALA 95 Cb 0.11 -1.55 -0.05 0.00 0.00 0.00 0.00 19.45 17.95 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 -0.87 5.19 -0.01 0.00 1.01 0.16 -4.93 120.40 120.94 1smk s VAL 96 Ca 0.63 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.88 1smk s VAL 96 Cb -0.92 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1smk s VAL 96 CO 0.54 0.23 -0.21 0.54 0.00 0.00 0.00 175.10 176.20 1smk s VAL 97 N -1.45 1.65 0.01 2.92 0.11 -1.26 -0.20 120.40 122.18 1smk s VAL 97 Ca 0.34 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.51 1smk s VAL 97 Cb -0.13 -1.38 -0.01 0.00 -1.53 0.00 0.00 36.38 33.33 1smk s VAL 97 CO 0.20 0.46 -0.10 -0.13 -3.33 0.00 0.00 175.10 172.20 1smk s ARG 98 N -0.51 0.71 -0.11 1.54 0.52 0.13 -4.96 118.95 116.26 1smk s ARG 98 Ca 0.08 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 54.80 1smk s ARG 98 Cb -0.08 -0.66 -0.02 0.00 0.52 0.00 0.00 34.95 34.70 1smk s ARG 98 CO -0.01 0.17 -0.09 0.20 0.02 0.00 0.00 175.30 175.59 1smk s GLY 99 N -0.65 1.63 -0.11 -3.53 0.00 -1.26 -0.39 107.32 103.00 1smk s GLY 99 Ca 0.01 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 43.87 1smk s GLY 99 CO 0.00 -0.35 -0.16 -1.36 0.00 0.00 0.00 173.10 171.23 1smk s PHE 100 N -0.07 2.05 -0.20 1.90 0.40 -0.07 -4.88 117.98 117.11 1smk s PHE 100 Ca -0.00 -0.94 -0.01 0.00 -0.60 0.00 0.00 56.93 55.37 1smk s PHE 100 Cb -0.14 -1.46 0.01 0.00 0.51 0.00 0.00 43.02 41.95 1smk s PHE 100 CO 0.03 -0.47 -0.13 -1.17 0.70 0.00 0.00 175.22 174.19 1smk s LEU 101 N 0.88 2.52 0.00 -0.37 2.96 -1.26 -2.72 118.68 120.70 1smk s LEU 101 Ca -0.08 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.25 1smk s LEU 101 Cb -0.15 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.94 1smk s LEU 101 CO -0.00 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 1smk n GLY 102 N 4.69 0.26 0.42 7.98 0.00 -0.56 -4.43 105.19 113.56 1smk n GLY 102 Ca -0.19 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.34 0.00 1.61 5.75 -1.95 -0.79 115.11 119.39 1smk h GLN 103 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1smk h GLN 103 Cb 0.00 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1smk h GLN 103 CO 0.00 -0.23 0.36 -0.56 -2.65 0.00 0.00 178.83 175.75 1smk h GLN 104 N -0.36 0.00 -0.31 1.69 -0.00 -2.01 0.39 115.11 114.52 1smk h GLN 104 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.76 1smk h GLN 104 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.07 1smk h GLN 104 CO -0.59 0.00 0.00 1.04 -0.00 0.00 0.00 178.83 179.28 1smk n GLN 105 N -2.50 2.17 -0.08 0.06 6.02 -0.32 -4.56 117.38 118.18 1smk n GLN 105 Ca -0.01 -1.98 -0.06 0.00 -0.01 0.00 0.00 57.00 54.94 1smk n GLN 105 Cb 0.39 -1.38 0.13 0.00 1.02 0.00 0.00 30.24 30.40 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 3.26 0.73 0.27 1.08 5.85 -0.07 -3.09 115.31 123.34 1smk h LEU 106 Ca 0.00 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1smk h LEU 106 Cb 0.80 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1smk h LEU 106 CO 0.00 0.89 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.53 1smk h GLU 107 N 0.66 -0.35 -0.96 1.25 5.08 -1.80 0.08 114.58 118.54 1smk h GLU 107 Ca 0.11 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.70 1smk h GLU 107 Cb 0.62 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.84 1smk h GLU 107 CO 0.04 -0.19 0.53 0.00 -1.00 0.00 0.00 179.01 178.39 1smk h ALA 108 N 0.31 1.60 -0.38 3.43 0.00 -1.87 0.22 119.26 122.57 1smk h ALA 108 Ca -0.04 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1smk h ALA 108 Cb 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1smk h ALA 108 CO 0.06 -0.20 -0.32 0.00 0.00 0.00 0.00 179.25 178.79 1smk h ALA 109 N 1.68 0.55 0.00 0.00 0.00 -1.35 -3.29 119.26 116.84 1smk h ALA 109 Ca 0.58 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1smk h ALA 109 Cb 1.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1smk h ALA 109 CO -0.45 0.60 -0.96 -0.07 0.00 0.00 0.00 179.25 178.38 1smk h LEU 110 N 0.69 0.00 -9.32 0.00 3.38 0.72 -3.44 115.31 107.34 1smk h LEU 110 Ca 0.07 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.45 1smk h LEU 110 Cb 0.90 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.67 1smk h LEU 110 CO 0.08 0.90 1.14 0.41 0.09 0.00 0.00 178.44 181.07 1smk n THR 111 N -3.30 0.63 -0.90 0.22 -1.04 0.60 -2.06 114.28 108.43 1smk n THR 111 Ca -0.01 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1smk n THR 111 Cb 0.91 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 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 4.44 0.80 3.70 3.41 0.00 -1.26 -5.02 105.19 111.25 1smk n GLY 112 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.10 4.42 0.04 1.61 1.00 -0.88 -4.75 119.30 120.64 1smk s MET 113 Ca 0.00 1.56 -0.19 0.00 0.00 0.00 0.00 55.69 57.06 1smk s MET 113 Cb 0.00 -3.50 -0.15 0.00 0.00 0.00 0.00 34.83 31.17 1smk s MET 113 CO 0.00 -0.31 1.29 -0.44 0.00 0.00 0.00 175.02 175.56 1smk h ASP 114 N 7.14 0.48 -3.39 3.03 3.32 -0.86 -3.40 116.42 122.73 1smk h ASP 114 Ca -0.35 -0.55 -0.53 0.00 0.02 0.00 0.00 57.03 55.62 1smk h ASP 114 Cb 1.18 -0.14 -0.34 0.00 0.22 0.00 0.00 39.33 40.25 1smk h ASP 114 CO 0.84 0.94 -0.82 -0.22 -1.72 0.00 0.00 179.24 178.26 1smk s LEU 115 N -8.89 1.65 -0.19 1.55 2.96 -1.06 -0.64 118.68 114.06 1smk s LEU 115 Ca -0.14 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1smk s LEU 115 Cb 0.05 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 1smk s LEU 115 CO 0.78 0.03 -0.08 -0.63 -1.32 0.00 0.00 176.35 175.13 1smk s ILE 116 N 0.72 3.18 -0.21 6.68 1.01 0.49 -1.10 121.20 131.97 1smk s ILE 116 Ca -0.13 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 1smk s ILE 116 Cb -0.16 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1smk s ILE 116 CO 0.03 0.47 0.07 -0.63 0.00 0.00 0.00 174.94 174.88 1smk s ILE 117 N 1.11 4.62 -0.62 2.92 1.01 0.04 0.74 121.20 131.02 1smk s ILE 117 Ca 0.01 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.61 1smk s ILE 117 Cb -0.15 -3.11 0.15 0.00 0.01 0.00 0.00 42.46 39.36 1smk s ILE 117 CO -0.02 0.40 0.39 -0.69 0.00 0.00 0.00 174.94 175.02 1smk s VAL 118 N 0.91 2.94 -2.13 2.92 1.01 0.66 -1.14 120.40 125.57 1smk s VAL 118 Ca 0.04 -3.62 0.19 0.00 0.00 0.00 0.00 61.98 58.59 1smk s VAL 118 Cb -0.14 -2.97 0.47 0.00 0.00 0.00 0.00 36.38 33.75 1smk s VAL 118 CO 0.03 -0.89 1.43 -0.81 0.00 0.00 0.00 175.10 174.85 1smk n PRO 119 N 2.74 2.25 -1.62 2.72 -0.04 -1.10 -0.91 135.00 139.05 1smk n PRO 119 Ca 0.11 -1.93 -0.38 0.00 -0.04 0.00 0.00 63.50 61.26 1smk n PRO 119 Cb 0.34 -1.44 0.05 0.00 -0.04 0.00 0.00 33.50 32.40 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 1.09 0.25 0.00 0.55 0.00 -0.60 -4.72 120.51 117.07 1smk n ALA 120 Ca 0.18 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1smk n ALA 120 Cb 0.48 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 1.25 -1.31 3.28 0.00 0.00 -1.26 -4.31 105.19 102.84 1smk n GLY 121 Ca 0.13 -1.22 -0.18 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.00 1.48 0.55 1.61 -7.23 -1.26 -5.03 120.40 107.51 1smk s VAL 122 Ca 0.00 -1.88 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 1smk s VAL 122 Cb 0.00 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 1smk s VAL 122 CO 0.00 -0.46 0.92 -2.16 -0.31 0.00 0.00 175.10 173.09 1smk s PRO 123 N -2.97 3.61 -0.00 4.82 0.04 -1.26 -5.02 135.00 134.22 1smk s PRO 123 Ca 0.13 0.54 -0.00 0.00 0.04 0.00 0.00 61.00 61.71 1smk s PRO 123 Cb -0.04 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 1smk s PRO 123 CO 0.04 -0.38 0.20 0.00 0.04 0.00 0.00 177.00 176.90 1smk h ARG 124 N 0.07 -0.01 0.00 4.56 3.08 -1.98 -3.50 114.38 116.60 1smk h ARG 124 Ca -0.45 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.69 1smk h ARG 124 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 1smk h ARG 124 CO 0.62 -0.00 -0.13 1.63 -1.07 0.00 0.00 179.97 181.01 1smk n LYS 125 N -2.06 -0.73 -2.65 0.04 5.02 -1.26 -4.57 118.16 111.94 1smk n LYS 125 Ca -0.00 0.48 -0.43 0.00 -2.02 0.00 0.00 58.31 56.34 1smk n LYS 125 Cb 0.00 -0.89 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 1smk n LYS 125 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1smk s PRO 126 N -0.90 3.80 0.00 1.97 0.04 -1.26 -4.01 135.00 134.64 1smk s PRO 126 Ca 0.00 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1smk s PRO 126 Cb 0.00 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1smk s PRO 126 CO 0.00 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1smk n GLY 127 N 4.58 -0.78 3.63 0.56 0.00 -1.26 -5.14 105.19 106.78 1smk n GLY 127 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1smk n GLY 127 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1smk s MET 128 N 0.00 0.34 -0.39 1.61 0.23 -1.26 -4.99 119.30 114.84 1smk s MET 128 Ca 0.00 0.33 0.11 0.00 -1.03 0.00 0.00 55.69 55.10 1smk s MET 128 Cb 0.00 0.16 0.43 0.00 -1.53 0.00 0.00 34.83 33.89 1smk s MET 128 CO 0.00 -0.06 1.00 0.25 -2.03 0.00 0.00 175.02 174.19 1smk n THR 129 N 1.70 1.65 0.00 3.16 -2.24 -1.26 -4.70 114.28 112.59 1smk n THR 129 Ca -0.11 -4.15 0.00 0.00 -2.27 0.00 0.00 64.05 57.53 1smk n THR 129 Cb 0.57 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1smk n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1smk n ARG 130 N -0.23 0.00 0.00 -0.78 5.12 -1.26 -4.93 116.66 114.58 1smk n ARG 130 Ca 0.25 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 1smk n ARG 130 Cb 0.71 -0.20 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 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 0.24 0.00 -0.30 0.55 2.03 -1.26 -2.97 116.55 114.84 1smk n ASP 131 Ca 0.00 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1smk n ASP 131 Cb 0.00 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1smk n ASP 131 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1smk n ASP 132 N -0.67 0.19 -0.08 1.67 5.75 -1.26 -2.87 116.55 119.28 1smk n ASP 132 Ca 0.00 -0.63 -0.06 0.00 -0.01 0.00 0.00 54.79 54.08 1smk n ASP 132 Cb 0.00 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 39.97 1smk n ASP 132 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1smk n LEU 133 N 0.00 1.80 -0.44 -2.12 0.00 -1.20 -4.43 117.00 110.62 1smk n LEU 133 Ca 0.00 0.48 0.33 0.00 0.00 0.00 0.00 56.01 56.82 1smk n LEU 133 Cb 0.05 -0.80 0.52 0.00 0.00 0.00 0.00 43.42 43.19 1smk n LEU 133 CO 0.00 -0.38 0.94 0.33 0.00 0.00 0.00 177.39 178.28 1smk n PHE 134 N -4.46 0.08 -0.20 1.96 7.35 -1.14 0.99 117.46 122.04 1smk n PHE 134 Ca -0.10 0.08 -0.08 0.00 -0.76 0.00 0.00 57.45 56.60 1smk n PHE 134 Cb 0.37 -0.42 0.06 0.00 0.35 0.00 0.00 39.48 39.85 1smk n PHE 134 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1smk h LYS 135 N 0.00 1.02 0.18 -4.13 1.57 -1.77 -2.25 116.57 111.19 1smk h LYS 135 Ca 0.61 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1smk h LYS 135 Cb 2.36 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.56 1smk h LYS 135 CO -0.06 0.98 -0.08 0.82 -0.57 0.00 0.00 179.45 180.54 1smk h ILE 136 N 0.95 0.13 -0.65 1.86 2.04 0.38 -3.14 117.51 119.07 1smk h ILE 136 Ca 0.18 -0.90 0.12 0.00 1.00 0.00 0.00 64.86 65.26 1smk h ILE 136 Cb 0.50 0.23 -0.09 0.00 -0.74 0.00 0.00 36.82 36.72 1smk h ILE 136 CO 0.02 0.04 0.17 0.78 0.00 0.00 0.00 178.15 179.17 1smk h ASN 137 N -1.05 0.07 -0.66 1.72 4.21 -1.67 -0.28 115.58 117.92 1smk h ASN 137 Ca -0.02 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.60 1smk h ASN 137 Cb 0.24 0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.55 1smk h ASN 137 CO 0.04 0.03 0.43 0.00 -1.29 0.00 0.00 177.43 176.64 1smk h ALA 138 N 1.50 1.50 -0.21 -0.83 0.00 -1.55 0.43 119.26 120.10 1smk h ALA 138 Ca 0.35 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 1smk h ALA 138 Cb 0.52 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1smk h ALA 138 CO -0.41 0.45 -0.41 0.78 0.00 0.00 0.00 179.25 179.67 1smk h GLY 139 N 0.92 0.54 0.67 0.00 0.00 -1.11 -1.02 103.07 103.06 1smk h GLY 139 Ca 0.24 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1smk h GLY 139 CO -0.05 0.48 -0.02 -2.22 0.00 0.00 0.00 176.54 174.74 1smk h ILE 140 N 0.41 1.30 -0.02 2.60 2.04 0.37 -2.42 117.51 121.79 1smk h ILE 140 Ca 0.04 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1smk h ILE 140 Cb 0.89 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1smk h ILE 140 CO 0.08 0.26 -0.09 0.58 0.00 0.00 0.00 178.15 178.98 1smk h VAL 141 N -0.25 1.08 0.28 1.67 2.07 -0.13 -2.27 116.25 118.68 1smk h VAL 141 Ca 0.01 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1smk h VAL 141 Cb 0.42 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1smk h VAL 141 CO 0.01 0.10 -0.13 0.50 0.02 0.00 0.00 177.57 178.07 1smk h LYS 142 N 0.03 -0.36 -0.75 1.57 3.64 -0.98 -2.18 116.57 117.55 1smk h LYS 142 Ca 0.01 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1smk h LYS 142 Cb 0.17 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1smk h LYS 142 CO 0.01 -0.05 0.23 1.79 -2.27 0.00 0.00 179.45 179.17 1smk h THR 143 N -0.69 1.26 -0.32 1.00 1.35 -1.26 -1.72 112.91 112.53 1smk h THR 143 Ca -0.04 -0.92 -0.06 0.00 -0.55 0.00 0.00 66.41 64.85 1smk h THR 143 Cb 0.48 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 1smk h THR 143 CO 0.06 0.36 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.57 1smk h LEU 144 N 1.12 0.49 -0.29 3.87 3.38 -1.47 -1.12 115.31 121.29 1smk h LEU 144 Ca 0.24 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 1smk h LEU 144 Cb 0.31 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1smk h LEU 144 CO -0.01 0.59 -0.71 0.00 0.09 0.00 0.00 178.44 178.40 1smk h GLU 146 N 0.46 0.03 0.18 0.00 5.08 -0.96 0.39 114.58 119.77 1smk h GLU 146 Ca -0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1smk h GLU 146 Cb 1.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1smk h GLU 146 CO 0.14 0.17 -0.09 0.78 -1.00 0.00 0.00 179.01 179.01 1smk h GLY 147 N 0.47 -0.26 0.28 -3.84 0.00 -0.75 -2.88 103.07 96.09 1smk h GLY 147 Ca 0.01 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1smk h GLY 147 CO 0.02 -0.09 -0.31 -2.22 0.00 0.00 0.00 176.54 173.93 1smk h ILE 148 N -0.80 0.31 -0.65 2.60 2.04 0.14 0.11 117.51 121.27 1smk h ILE 148 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.98 1smk h ILE 148 Cb 0.52 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1smk h ILE 148 CO 0.04 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.63 1smk h ALA 149 N 0.32 2.23 0.00 1.87 0.00 -0.36 0.22 119.26 123.54 1smk h ALA 149 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1smk h ALA 149 Cb 0.55 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1smk h ALA 149 CO -0.28 -0.40 -0.04 -0.22 0.00 0.00 0.00 179.25 178.31 1smk h LYS 150 N 0.27 0.00 0.00 0.00 3.64 -1.13 -3.33 116.57 116.02 1smk h LYS 150 Ca 0.31 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.51 1smk h LYS 150 Cb 0.85 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1smk h LYS 150 CO -0.07 0.38 -0.98 0.00 -2.27 0.00 0.00 179.45 176.51 1smk n PRO 153 N 0.91 0.04 -0.06 0.00 -0.04 -1.02 -1.12 135.00 133.72 1smk n PRO 153 Ca 0.13 0.52 0.07 0.00 -0.04 0.00 0.00 63.50 64.17 1smk n PRO 153 Cb 0.64 -1.68 0.09 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.70 1.40 -2.45 0.54 1.74 -1.26 -4.88 116.66 110.05 1smk n ARG 154 Ca -0.00 -1.53 -0.38 0.00 -0.77 0.00 0.00 57.85 55.17 1smk n ARG 154 Cb 0.05 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.08 3.14 0.09 7.54 0.00 -0.27 -5.00 121.76 126.18 1smk s ALA 155 Ca 0.19 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 1smk s ALA 155 Cb 0.12 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1smk s ALA 155 CO 0.17 -0.32 1.04 0.42 0.00 0.00 0.00 175.76 177.08 1smk s ILE 156 N -1.51 4.37 -0.18 0.00 -1.09 0.18 -4.89 121.20 118.08 1smk s ILE 156 Ca 0.56 1.86 -0.03 0.00 -2.23 0.00 0.00 60.65 60.81 1smk s ILE 156 Cb -0.26 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.42 1smk s ILE 156 CO 0.33 0.23 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.51 1smk s VAL 157 N 0.40 3.42 -0.57 2.92 1.01 0.87 -0.38 120.40 128.07 1smk s VAL 157 Ca 0.51 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1smk s VAL 157 Cb -0.25 -2.51 0.15 0.00 0.00 0.00 0.00 36.38 33.77 1smk s VAL 157 CO 0.30 0.47 0.47 0.20 0.00 0.00 0.00 175.10 176.54 1smk s ASN 158 N 0.83 5.93 -0.09 3.32 0.02 0.23 -1.59 114.94 123.58 1smk s ASN 158 Ca -0.02 -2.18 -0.24 0.00 -1.02 0.00 0.00 52.86 49.40 1smk s ASN 158 Cb -0.15 -2.06 -0.03 0.00 0.02 0.00 0.00 41.25 39.03 1smk s ASN 158 CO 0.01 -0.65 0.74 -0.22 0.02 0.00 0.00 177.10 177.00 1smk s LEU 159 N 0.97 4.28 0.00 0.60 2.96 -0.26 -0.24 118.68 126.98 1smk s LEU 159 Ca 0.09 1.19 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 1smk s LEU 159 Cb -0.23 -3.13 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1smk s LEU 159 CO -0.02 -0.20 0.04 -0.38 -1.32 0.00 0.00 176.35 174.47 1smk n ILE 160 N 4.06 0.00 -1.68 6.68 5.41 -0.09 -0.82 119.36 132.92 1smk n ILE 160 Ca 0.00 -0.37 -0.45 0.00 1.00 0.00 0.00 62.75 62.93 1smk n ILE 160 Cb 0.51 1.03 -0.04 0.00 -0.71 0.00 0.00 39.64 40.43 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 -0.66 3.48 -4.78 4.38 7.64 -0.73 -4.81 113.62 118.15 1smk n SER 161 Ca 0.00 1.03 -0.39 0.00 1.01 0.00 0.00 58.87 60.52 1smk n SER 161 Cb 0.01 -1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 61.70 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 2.22 7.32 -0.12 6.43 3.84 -1.26 -2.98 114.94 130.40 1smk s ASN 162 Ca 0.83 1.57 -0.24 0.00 0.21 0.00 0.00 52.86 55.23 1smk s ASN 162 Cb -0.62 -2.47 -0.03 0.00 -0.55 0.00 0.00 41.25 37.58 1smk s ASN 162 CO 0.41 0.22 0.74 -2.16 -2.79 0.00 0.00 177.10 173.53 1smk s PRO 163 N -1.15 4.36 0.32 0.43 0.04 -1.26 -4.79 135.00 132.96 1smk s PRO 163 Ca 0.34 0.91 0.03 0.00 0.04 0.00 0.00 61.00 62.32 1smk s PRO 163 Cb -0.22 -3.51 0.61 0.00 0.04 0.00 0.00 34.50 31.42 1smk s PRO 163 CO 0.25 -0.12 1.92 0.28 0.04 0.00 0.00 177.00 179.37 1smk h VAL 164 N 4.97 1.04 0.00 -0.36 2.07 -1.80 0.33 116.25 122.50 1smk h VAL 164 Ca -0.36 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1smk h VAL 164 Cb 1.17 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1smk h VAL 164 CO 0.78 0.17 -0.01 0.78 0.02 0.00 0.00 177.57 179.31 1smk h ASN 165 N 0.92 0.00 0.00 0.57 2.35 -1.90 -2.60 115.58 114.92 1smk h ASN 165 Ca 0.37 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.93 1smk h ASN 165 Cb 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1smk h ASN 165 CO -0.14 0.01 -1.73 -1.20 -1.65 0.00 0.00 177.43 172.73 1smk n SER 166 N -3.44 2.86 -0.14 5.81 7.64 -0.65 -3.74 113.62 121.96 1smk n SER 166 Ca -0.03 -0.05 -0.08 0.00 1.01 0.00 0.00 58.87 59.72 1smk n SER 166 Cb 0.10 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.04 0.44 1.35 -0.35 0.87 112.91 116.43 1smk h THR 167 Ca -0.29 -0.41 0.02 0.00 -0.55 0.00 0.00 66.41 65.18 1smk h THR 167 Cb 1.50 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 1smk h THR 167 CO -0.03 0.17 -0.14 0.58 -0.25 0.00 0.00 175.52 175.84 1smk h VAL 168 N 0.54 0.66 -0.39 6.82 2.07 -1.70 0.48 116.25 124.74 1smk h VAL 168 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 1smk h VAL 168 Cb 0.06 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1smk h VAL 168 CO -0.02 0.00 0.26 -0.65 0.02 0.00 0.00 177.57 177.18 1smk h PRO 169 N -0.26 0.42 -0.30 1.57 0.11 -1.72 0.25 132.00 132.07 1smk h PRO 169 Ca 0.04 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 1smk h PRO 169 Cb 0.30 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1smk h PRO 169 CO -0.11 0.28 -0.02 0.82 -0.21 0.00 0.00 178.00 178.76 1smk h ILE 170 N 0.43 1.26 -0.20 4.15 2.04 0.45 -2.48 117.51 123.17 1smk h ILE 170 Ca 0.16 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1smk h ILE 170 Cb 0.09 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1smk h ILE 170 CO -0.04 0.31 0.09 0.00 0.00 0.00 0.00 178.15 178.51 1smk h ALA 171 N 0.82 0.23 -0.47 1.87 0.00 0.98 -2.16 119.26 120.53 1smk h ALA 171 Ca 0.08 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1smk h ALA 171 Cb 0.46 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1smk h ALA 171 CO 0.02 -0.33 -0.23 0.00 0.00 0.00 0.00 179.25 178.71 1smk h ALA 172 N 1.11 0.10 -0.04 0.00 0.00 -0.87 -1.14 119.26 118.41 1smk h ALA 172 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1smk h ALA 172 Cb 0.03 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1smk h ALA 172 CO -0.07 -0.58 0.03 0.93 0.00 0.00 0.00 179.25 179.57 1smk h GLU 173 N -0.13 0.06 -0.89 0.00 4.39 -1.18 -0.80 114.58 116.02 1smk h GLU 173 Ca 0.22 -0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.07 1smk h GLU 173 Cb 0.47 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 1smk h GLU 173 CO -0.55 0.04 0.58 0.28 -1.16 0.00 0.00 179.01 178.20 1smk h VAL 174 N 0.06 0.82 -0.05 3.13 2.07 -0.72 -0.99 116.25 120.56 1smk h VAL 174 Ca 0.02 -0.23 -0.23 0.00 0.82 0.00 0.00 66.70 67.08 1smk h VAL 174 Cb -0.00 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1smk h VAL 174 CO -0.00 0.12 -0.89 -0.26 0.02 0.00 0.00 177.57 176.56 1smk h PHE 175 N 0.67 0.79 -0.69 1.57 0.04 -0.78 -3.04 116.94 115.50 1smk h PHE 175 Ca 0.45 -0.40 0.04 0.00 2.80 0.00 0.00 57.97 60.86 1smk h PHE 175 Cb 0.76 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.76 1smk h PHE 175 CO -0.00 1.21 0.42 0.87 -0.60 0.00 0.00 178.31 180.21 1smk h LYS 176 N 0.34 0.79 -0.65 1.51 1.57 0.15 0.11 116.57 120.39 1smk h LYS 176 Ca -0.08 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 1smk h LYS 176 Cb 1.52 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 1smk h LYS 176 CO 0.16 0.52 0.06 -0.22 -0.57 0.00 0.00 179.45 179.40 1smk h LYS 177 N 0.81 1.10 0.00 3.15 3.64 -1.42 -1.75 116.57 122.10 1smk h LYS 177 Ca 0.28 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1smk h LYS 177 Cb 0.05 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1smk h LYS 177 CO -0.12 1.03 0.00 0.00 -2.27 0.00 0.00 179.45 178.09 1smk n ALA 178 N -2.48 2.37 -3.49 5.00 0.00 -0.87 -4.88 120.51 116.17 1smk n ALA 178 Ca 0.04 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 1smk n ALA 178 Cb 0.32 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.42 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 0.86 -0.43 0.00 0.00 0.00 -0.07 -4.88 105.19 100.67 1smk n GLY 179 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.54 0.00 -1.86 2.61 -2.24 0.17 -5.02 114.28 103.40 1smk n THR 180 Ca -0.12 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1smk n THR 180 Cb 0.61 1.69 -0.03 0.00 -2.10 0.00 0.00 70.33 70.50 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 -0.00 1.81 -0.18 4.78 5.04 -0.98 -4.91 117.35 122.91 1smk s TYR 181 Ca 0.00 -0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.58 1smk s TYR 181 Cb 0.00 -4.06 0.05 0.00 0.35 0.00 0.00 41.96 38.30 1smk s TYR 181 CO 0.00 -4.53 -0.01 0.34 -1.34 0.00 0.00 175.55 170.01 1smk s ASP 182 N 3.55 2.87 0.56 4.32 -1.08 -1.26 -4.93 116.67 120.70 1smk s ASP 182 Ca 0.79 -0.74 0.37 0.00 -0.52 0.00 0.00 52.55 52.45 1smk s ASP 182 Cb -0.38 -0.76 1.76 0.00 -1.46 0.00 0.00 42.92 42.08 1smk s ASP 182 CO 0.35 -0.25 2.10 1.55 0.52 0.00 0.00 175.17 179.44 1smk h PRO 183 N 8.17 0.00 0.00 4.34 0.13 -1.93 -2.43 132.00 140.28 1smk h PRO 183 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1smk h PRO 183 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1smk h PRO 183 CO 0.36 0.00 -0.20 1.63 -0.23 0.00 0.00 178.00 179.56 1smk n LYS 184 N -2.96 0.03 0.00 0.86 5.02 -1.26 -3.85 118.16 116.00 1smk n LYS 184 Ca -0.01 0.02 0.07 0.00 -2.02 0.00 0.00 58.31 56.37 1smk n LYS 184 Cb 0.19 -1.53 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.58 0.96 -4.06 1.97 1.74 -0.92 0.11 116.66 114.88 1smk n ARG 185 Ca 0.06 -1.32 -0.33 0.00 -0.77 0.00 0.00 57.85 55.49 1smk n ARG 185 Cb 0.35 -1.27 -0.15 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.18 2.56 -0.02 0.55 2.96 -1.23 -0.09 118.68 122.24 1smk s LEU 186 Ca 0.16 -0.74 0.04 0.00 -0.22 0.00 0.00 54.13 53.37 1smk s LEU 186 Cb 0.12 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 1smk s LEU 186 CO 0.18 -0.05 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.28 1smk s LEU 187 N 1.30 1.96 -0.17 -0.68 1.02 -0.62 -4.49 118.68 116.99 1smk s LEU 187 Ca 0.03 -0.24 -0.15 0.00 0.02 0.00 0.00 54.13 53.79 1smk s LEU 187 Cb -0.15 -0.69 -0.04 0.00 0.02 0.00 0.00 46.19 45.33 1smk s LEU 187 CO -0.09 0.14 0.34 -0.83 0.02 0.00 0.00 176.35 175.92 1smk s GLY 188 N -0.15 2.18 -0.50 -3.19 0.00 0.18 -1.10 107.32 104.73 1smk s GLY 188 Ca 0.02 -0.47 -0.29 0.00 0.00 0.00 0.00 44.72 43.98 1smk s GLY 188 CO 0.00 0.59 1.27 0.14 0.00 0.00 0.00 173.10 175.10 1smk s VAL 189 N 0.79 4.01 -1.22 1.40 1.01 0.00 -1.07 120.40 125.33 1smk s VAL 189 Ca 0.18 0.98 0.13 0.00 0.00 0.00 0.00 61.98 63.27 1smk s VAL 189 Cb -0.14 -4.51 0.29 0.00 0.00 0.00 0.00 36.38 32.02 1smk s VAL 189 CO 0.06 -1.05 1.20 0.35 0.00 0.00 0.00 175.10 175.65 1smk n THR 190 N 6.88 0.74 -0.29 3.92 -2.24 -1.26 -4.69 114.28 117.34 1smk n THR 190 Ca 0.12 -0.87 0.07 0.00 -2.27 0.00 0.00 64.05 61.10 1smk n THR 190 Cb 0.49 0.70 0.18 0.00 -2.10 0.00 0.00 70.33 69.59 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 2.40 0.06 -0.89 -0.78 -1.53 -1.87 0.24 114.93 112.56 1smk h MET 191 Ca 0.00 -0.00 0.19 0.00 -3.44 0.00 0.00 59.70 56.45 1smk h MET 191 Cb 0.71 -0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.68 1smk h MET 191 CO 0.00 0.04 0.59 1.25 0.14 0.00 0.00 176.91 178.92 1smk h LEU 192 N 0.06 0.43 -0.45 3.39 5.85 -1.88 0.87 115.31 123.57 1smk h LEU 192 Ca 0.46 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 59.17 1smk h LEU 192 Cb 0.82 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1smk h LEU 192 CO -0.78 0.18 0.10 0.44 -0.34 0.00 0.00 178.44 178.04 1smk h ASP 193 N 0.43 0.70 -0.21 1.25 3.32 -0.89 0.27 116.42 121.29 1smk h ASP 193 Ca 0.46 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1smk h ASP 193 Cb 1.10 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1smk h ASP 193 CO -0.18 0.76 -0.04 0.58 -1.72 0.00 0.00 179.24 178.64 1smk h VAL 194 N 0.60 1.28 -0.42 -1.35 2.07 -0.58 0.51 116.25 118.36 1smk h VAL 194 Ca 0.14 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 66.73 1smk h VAL 194 Cb 0.34 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 1smk h VAL 194 CO 0.00 0.31 0.03 0.58 0.02 0.00 0.00 177.57 178.51 1smk h VAL 195 N 0.12 0.71 -0.21 2.57 2.07 0.84 0.28 116.25 122.63 1smk h VAL 195 Ca 0.05 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1smk h VAL 195 Cb 0.48 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1smk h VAL 195 CO 0.02 0.03 0.02 0.03 0.02 0.00 0.00 177.57 177.69 1smk h ARG 196 N 0.14 0.35 -0.62 1.57 3.08 -0.29 -2.32 114.38 116.29 1smk h ARG 196 Ca 0.21 -0.10 0.12 0.00 0.07 0.00 0.00 59.98 60.28 1smk h ARG 196 Cb 0.29 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.21 1smk h ARG 196 CO -0.32 0.52 0.13 0.00 -1.07 0.00 0.00 179.97 179.22 1smk h ALA 197 N 0.82 0.74 -0.08 0.04 0.00 0.11 0.21 119.26 121.10 1smk h ALA 197 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1smk h ALA 197 Cb 0.34 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1smk h ALA 197 CO 0.01 -0.31 0.03 -0.91 0.00 0.00 0.00 179.25 178.06 1smk h ASN 198 N 0.26 0.12 -0.62 0.00 2.35 -0.38 -1.16 115.58 116.15 1smk h ASN 198 Ca 0.33 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1smk h ASN 198 Cb 0.50 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 1smk h ASN 198 CO -0.42 0.29 0.41 0.74 -1.65 0.00 0.00 177.43 176.80 1smk h THR 199 N -0.05 1.15 -0.35 2.81 2.02 -0.81 0.43 112.91 118.11 1smk h THR 199 Ca 0.03 -0.29 -0.17 0.00 0.77 0.00 0.00 66.41 66.75 1smk h THR 199 Cb 0.21 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1smk h THR 199 CO -0.00 0.15 -0.44 -0.26 0.37 0.00 0.00 175.52 175.34 1smk h PHE 200 N 0.83 1.12 -0.54 3.16 0.04 -0.57 -2.43 116.94 118.56 1smk h PHE 200 Ca 0.23 -0.36 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 1smk h PHE 200 Cb -0.09 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.81 1smk h PHE 200 CO -0.03 1.19 0.14 0.28 -0.60 0.00 0.00 178.31 179.29 1smk h VAL 201 N 0.74 1.24 -0.66 -0.55 2.07 -0.95 -2.59 116.25 115.55 1smk h VAL 201 Ca 0.05 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1smk h VAL 201 Cb 1.05 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1smk h VAL 201 CO 0.11 0.31 0.33 0.00 0.02 0.00 0.00 177.57 178.34 1smk h ALA 202 N 1.02 0.85 -0.94 1.67 0.00 -0.86 0.09 119.26 121.08 1smk h ALA 202 Ca 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1smk h ALA 202 Cb 0.33 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1smk h ALA 202 CO 0.00 0.40 0.62 0.93 0.00 0.00 0.00 179.25 181.20 1smk h GLU 203 N 0.91 1.23 0.08 0.00 5.08 -1.31 0.89 114.58 121.46 1smk h GLU 203 Ca 0.23 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1smk h GLU 203 Cb 0.10 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1smk h GLU 203 CO -0.03 0.81 -0.04 0.28 -1.00 0.00 0.00 179.01 179.03 1smk h VAL 204 N 1.26 1.13 0.00 3.13 2.07 -1.06 -2.84 116.25 119.94 1smk h VAL 204 Ca 0.35 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1smk h VAL 204 Cb -0.12 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1smk h VAL 204 CO -0.08 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.88 1smk n LEU 205 N -4.97 0.00 -2.64 2.57 4.77 -0.02 -4.85 117.00 111.86 1smk n LEU 205 Ca -0.08 0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 55.82 1smk n LEU 205 Cb 0.21 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1smk n LEU 205 CO 0.32 -0.05 -0.04 0.61 -1.33 0.00 0.00 177.39 176.91 1smk n GLY 206 N 0.29 -0.41 3.68 -0.72 0.00 0.24 -4.99 105.19 103.28 1smk n GLY 206 Ca 0.12 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1smk n GLY 206 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smk s LEU 207 N -5.97 3.14 -0.10 0.99 1.43 0.23 -4.99 118.68 113.41 1smk s LEU 207 Ca 0.23 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 1smk s LEU 207 Cb -0.10 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1smk s LEU 207 CO 0.28 -0.21 1.16 -0.62 0.23 0.00 0.00 176.35 177.19 1smk s ASP 208 N -3.76 7.07 0.61 2.29 -1.08 -1.26 -4.26 116.67 116.28 1smk s ASP 208 Ca 0.35 1.70 0.28 0.00 -0.52 0.00 0.00 52.55 54.36 1smk s ASP 208 Cb -0.02 -2.55 1.52 0.00 -1.46 0.00 0.00 42.92 40.41 1smk s ASP 208 CO 0.21 -0.60 1.84 1.55 0.52 0.00 0.00 175.17 178.69 1smk h PRO 209 N 7.52 0.00 -0.15 4.34 0.13 -1.91 -1.38 132.00 140.55 1smk h PRO 209 Ca -0.31 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.64 1smk h PRO 209 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1smk h PRO 209 CO 0.90 0.00 -0.66 0.00 -0.23 0.00 0.00 178.00 178.01 1smk h ARG 210 N 0.00 0.59 -1.21 0.86 3.08 -1.93 -3.13 114.38 112.64 1smk h ARG 210 Ca 0.00 -0.43 -0.21 0.00 0.07 0.00 0.00 59.98 59.41 1smk h ARG 210 Cb 0.62 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 30.63 1smk h ARG 210 CO 0.00 1.05 0.26 -0.25 -1.07 0.00 0.00 179.97 179.97 1smk n ASP 211 N -3.92 4.23 -3.83 7.04 8.00 -0.52 -4.81 116.55 122.73 1smk n ASP 211 Ca -0.05 -2.68 -0.12 0.00 0.71 0.00 0.00 54.79 52.65 1smk n ASP 211 Cb 0.67 -0.77 -0.12 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.36 0.02 -0.12 2.53 1.01 -1.18 -4.25 120.40 117.05 1smk s VAL 212 Ca 0.21 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 1smk s VAL 212 Cb 0.18 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.33 1smk s VAL 212 CO 0.03 -0.11 0.27 -1.81 0.00 0.00 0.00 175.10 173.48 1smk s ASP 213 N -0.32 -0.02 -0.20 3.32 1.01 -0.93 -4.87 116.67 114.65 1smk s ASP 213 Ca -0.04 0.59 0.01 0.00 0.71 0.00 0.00 52.55 53.82 1smk s ASP 213 Cb -0.03 0.58 0.04 0.00 1.01 0.00 0.00 42.92 44.52 1smk s ASP 213 CO 0.01 -0.20 -0.12 -0.69 0.21 0.00 0.00 175.17 174.37 1smk s VAL 214 N 1.78 1.78 0.31 -1.27 1.01 -1.26 -2.83 120.40 119.92 1smk s VAL 214 Ca -0.05 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.58 1smk s VAL 214 Cb -0.11 -1.80 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 1smk s VAL 214 CO -0.09 0.22 1.26 -2.16 0.00 0.00 0.00 175.10 174.33 1smk s PRO 215 N 1.34 4.42 -0.13 2.72 0.04 -1.26 -4.81 135.00 137.33 1smk s PRO 215 Ca -0.01 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.16 1smk s PRO 215 Cb -0.16 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.29 1smk s PRO 215 CO -0.09 -0.10 -0.15 0.08 0.04 0.00 0.00 177.00 176.78 1smk s VAL 216 N -1.07 1.58 0.48 -0.36 1.01 -1.26 -2.20 120.40 118.58 1smk s VAL 216 Ca 0.48 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1smk s VAL 216 Cb -0.38 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1smk s VAL 216 CO 0.49 0.46 0.15 0.68 0.00 0.00 0.00 175.10 176.88 1smk s VAL 217 N 1.16 1.67 0.00 2.92 -7.23 -0.11 -4.41 120.40 114.40 1smk s VAL 217 Ca -0.02 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1smk s VAL 217 Cb -0.14 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1smk s VAL 217 CO -0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1smk n GLY 218 N -1.35 1.05 0.02 2.32 0.00 0.13 -0.01 105.19 107.35 1smk n GLY 218 Ca -0.09 -0.91 -0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 4.09 2.71 -0.02 0.00 0.25 0.11 105.19 112.33 1smk n GLY 219 Ca 0.00 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.01 3.67 -3.64 1.61 -0.00 -1.26 -3.69 115.22 111.90 1smk n HIS 220 Ca -0.00 -3.46 -0.06 0.00 0.46 0.00 0.00 57.72 54.65 1smk n HIS 220 Cb 0.00 -0.35 -0.07 0.00 -0.12 0.00 0.00 29.99 29.46 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 -3.56 -2.09 0.00 1.57 0.00 -1.26 -4.65 121.76 111.77 1smk s ALA 221 Ca 0.48 1.84 0.00 0.00 0.00 0.00 0.00 51.96 54.29 1smk s ALA 221 Cb 0.34 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1smk s ALA 221 CO -0.17 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1smk n GLY 222 N 2.15 2.28 0.59 0.00 0.00 -1.24 0.60 105.19 109.57 1smk n GLY 222 Ca -0.12 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 0.49 0.16 1.61 0.24 -1.26 -3.21 118.33 116.36 1smk n VAL 223 Ca 0.00 -0.38 0.07 0.00 -2.04 0.00 0.00 64.34 61.99 1smk n VAL 223 Cb 0.00 0.04 0.07 0.00 -1.47 0.00 0.00 33.84 32.48 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 1.50 0.43 -3.11 3.34 1.03 -0.16 -3.36 112.91 112.58 1smk h THR 224 Ca 0.00 -1.63 -0.57 0.00 -0.01 0.00 0.00 66.41 64.20 1smk h THR 224 Cb 0.50 2.15 -0.05 0.00 -1.07 0.00 0.00 68.15 69.68 1smk h THR 224 CO 0.04 0.25 1.05 -0.63 -0.01 0.00 0.00 175.52 176.22 1smk s ILE 225 N -3.09 3.93 -0.62 0.00 1.01 -1.20 -0.58 121.20 120.66 1smk s ILE 225 Ca 0.04 1.01 -0.03 0.00 0.00 0.00 0.00 60.65 61.67 1smk s ILE 225 Cb 0.07 -4.07 0.16 0.00 0.01 0.00 0.00 42.46 38.63 1smk s ILE 225 CO 0.73 -0.55 0.44 -0.22 0.00 0.00 0.00 174.94 175.34 1smk s LEU 226 N 5.07 5.31 -0.64 2.97 2.96 0.99 -4.78 118.68 130.55 1smk s LEU 226 Ca 0.62 -2.80 -0.27 0.00 -0.22 0.00 0.00 54.13 51.46 1smk s LEU 226 Cb -0.17 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1smk s LEU 226 CO 0.28 -0.39 1.37 -2.16 -1.32 0.00 0.00 176.35 174.14 1smk s PRO 227 N 0.02 3.22 -1.06 0.98 0.04 -1.26 -0.93 135.00 136.00 1smk s PRO 227 Ca 0.16 0.16 -0.21 0.00 0.04 0.00 0.00 61.00 61.16 1smk s PRO 227 Cb -0.20 -4.16 -0.08 0.00 0.04 0.00 0.00 34.50 30.10 1smk s PRO 227 CO -0.04 -2.07 1.95 1.28 0.04 0.00 0.00 177.00 178.16 1smk n LEU 228 N 9.67 4.27 0.20 -3.56 4.77 -0.93 -4.75 117.00 126.66 1smk n LEU 228 Ca 0.09 -3.28 0.11 0.00 -0.03 0.00 0.00 56.01 52.89 1smk n LEU 228 Cb 0.49 -1.46 0.57 0.00 -2.33 0.00 0.00 43.42 40.69 1smk n LEU 228 CO 0.71 -0.54 0.88 -0.07 -1.33 0.00 0.00 177.39 177.04 1smk h LEU 229 N 14.32 0.00 -0.35 2.23 3.38 -1.92 -1.30 115.31 131.68 1smk h LEU 229 Ca 0.38 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.19 1smk h LEU 229 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1smk h LEU 229 CO 1.66 0.00 -0.80 0.77 0.09 0.00 0.00 178.44 180.16 1smk h SER 230 N 0.00 0.00 -0.22 -0.43 4.64 -1.91 -3.11 113.55 112.52 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 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1smk h SER 230 CO 0.00 0.80 0.00 0.00 -0.87 0.00 0.00 176.83 176.76 1smk n GLN 231 N -3.54 2.34 -2.03 4.77 6.02 -0.49 -4.86 117.38 119.59 1smk n GLN 231 Ca -0.00 -1.15 -0.40 0.00 -0.01 0.00 0.00 57.00 55.44 1smk n GLN 231 Cb 0.78 -1.71 -0.01 0.00 1.02 0.00 0.00 30.24 30.33 1smk n GLN 231 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1smk s VAL 232 N -1.65 2.55 -0.10 5.09 0.11 -1.18 -4.71 120.40 120.50 1smk s VAL 232 Ca 0.20 0.53 0.01 0.00 -2.93 0.00 0.00 61.98 59.79 1smk s VAL 232 Cb 0.15 -3.33 0.02 0.00 -1.53 0.00 0.00 36.38 31.68 1smk s VAL 232 CO 0.07 0.11 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.28 1smk s LYS 233 N -2.01 1.98 0.75 1.54 1.02 -1.13 -2.42 119.74 119.48 1smk s LYS 233 Ca 0.52 -0.48 -0.14 0.00 0.02 0.00 0.00 55.97 55.90 1smk s LYS 233 Cb -0.41 -1.72 0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1smk s LYS 233 CO 0.54 -0.07 1.18 -1.25 -0.92 0.00 0.00 175.35 174.82 1smk s PRO 234 N 1.02 2.10 0.12 -1.68 0.04 -1.26 -2.19 135.00 133.15 1smk s PRO 234 Ca -0.07 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 62.31 1smk s PRO 234 Cb -0.15 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 1smk s PRO 234 CO -0.01 -1.84 1.85 -0.35 0.04 0.00 0.00 177.00 176.68 1smk n PRO 235 N -2.92 2.81 -4.00 0.56 -0.04 -1.02 -4.98 135.00 125.43 1smk n PRO 235 Ca 0.12 1.02 -0.11 0.00 -0.04 0.00 0.00 63.50 64.50 1smk n PRO 235 Cb 0.51 -2.92 -0.12 0.00 -0.04 0.00 0.00 33.50 30.93 1smk n PRO 235 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1smk s SER 236 N 2.81 0.39 -0.17 3.54 0.01 -1.26 -5.09 113.70 113.93 1smk s SER 236 Ca 0.82 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 57.59 1smk s SER 236 Cb -0.48 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 1smk s SER 236 CO 0.37 -0.21 0.08 -0.94 0.41 0.00 0.00 173.24 172.96 1smk s SER 237 N -1.19 5.79 0.29 2.44 1.04 -1.26 -4.91 113.70 115.90 1smk s SER 237 Ca -0.11 0.15 0.09 0.00 0.48 0.00 0.00 55.95 56.56 1smk s SER 237 Cb -0.08 -1.97 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 1smk s SER 237 CO -0.00 0.21 0.07 -0.36 0.98 0.00 0.00 173.24 174.14 1smk s PHE 238 N 0.16 2.76 0.45 5.02 0.08 -1.26 -5.13 117.98 120.06 1smk s PHE 238 Ca 0.06 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.82 1smk s PHE 238 Cb -0.12 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 1smk s PHE 238 CO 0.00 0.52 0.73 0.95 -0.10 0.00 0.00 175.22 177.32 1smk s THR 239 N -2.33 4.94 0.37 0.64 -4.23 -1.26 -4.88 115.64 108.89 1smk s THR 239 Ca 0.34 0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.95 1smk s THR 239 Cb -0.05 -3.86 0.31 0.00 1.34 0.00 0.00 72.50 70.24 1smk s THR 239 CO 0.21 -0.77 1.92 -0.61 -0.54 0.00 0.00 174.62 174.84 1smk h GLN 240 N 0.35 0.66 -0.11 3.99 4.15 -2.00 -0.35 115.11 121.81 1smk h GLN 240 Ca -0.48 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 58.91 1smk h GLN 240 Cb 1.21 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 1smk h GLN 240 CO 0.61 0.44 0.04 1.49 -1.93 0.00 0.00 178.83 179.48 1smk h GLU 241 N 0.68 0.09 -0.18 1.69 4.22 -2.00 -1.87 114.58 117.21 1smk h GLU 241 Ca 0.36 -0.01 -0.16 0.00 0.08 0.00 0.00 59.36 59.64 1smk h GLU 241 Cb 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1smk h GLU 241 CO -0.14 0.06 -0.55 0.93 -2.18 0.00 0.00 179.01 177.14 1smk h GLU 242 N 0.10 0.54 -0.53 1.92 5.08 -1.65 -2.88 114.58 117.15 1smk h GLU 242 Ca 0.05 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 1smk h GLU 242 Cb 0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1smk h GLU 242 CO -0.04 0.95 0.12 0.82 -1.00 0.00 0.00 179.01 179.86 1smk h ILE 243 N 0.42 1.25 -0.26 3.13 2.04 -0.99 -1.98 117.51 121.12 1smk h ILE 243 Ca 0.01 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 1smk h ILE 243 Cb 1.09 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1smk h ILE 243 CO 0.10 0.32 -0.04 -1.28 0.00 0.00 0.00 178.15 177.25 1smk h SER 244 N 0.75 0.48 0.03 1.72 0.87 -1.36 -2.12 113.55 113.93 1smk h SER 244 Ca 0.17 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1smk h SER 244 Cb 0.35 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1smk h SER 244 CO 0.00 0.71 -0.01 0.22 -0.53 0.00 0.00 176.83 177.22 1smk h TYR 245 N 0.24 -0.04 -0.35 2.24 3.20 -1.49 -1.97 116.97 118.80 1smk h TYR 245 Ca 0.07 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1smk h TYR 245 Cb 0.49 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1smk h TYR 245 CO 0.05 0.06 0.18 -0.07 -1.64 0.00 0.00 178.16 176.74 1smk h LEU 246 N -0.13 0.45 -1.81 2.82 3.38 -1.40 0.35 115.31 118.97 1smk h LEU 246 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1smk h LEU 246 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1smk h LEU 246 CO 0.01 0.43 0.06 0.74 0.09 0.00 0.00 178.44 179.76 1smk h THR 247 N 0.44 1.05 0.39 0.22 2.02 -1.36 -1.22 112.91 114.46 1smk h THR 247 Ca 0.12 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1smk h THR 247 Cb 0.09 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1smk h THR 247 CO -0.02 0.06 -0.19 -0.78 0.37 0.00 0.00 175.52 174.96 1smk h ASP 248 N 0.18 -0.45 -0.61 4.18 3.58 -0.54 -2.44 116.42 120.32 1smk h ASP 248 Ca 0.05 0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.63 1smk h ASP 248 Cb 0.03 0.12 -0.08 0.00 1.72 0.00 0.00 39.33 41.11 1smk h ASP 248 CO -0.01 -0.08 0.15 -0.09 -2.88 0.00 0.00 179.24 176.34 1smk h ARG 249 N -1.02 0.28 -0.72 0.28 2.43 -0.85 -0.26 114.38 114.52 1smk h ARG 249 Ca -0.05 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1smk h ARG 249 Cb 0.41 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1smk h ARG 249 CO 0.09 0.19 0.44 0.82 -1.51 0.00 0.00 179.97 179.99 1smk h ILE 250 N 0.29 1.05 0.00 1.20 2.04 -1.31 0.53 117.51 121.31 1smk h ILE 250 Ca 0.32 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.81 1smk h ILE 250 Cb 0.47 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1smk h ILE 250 CO -0.39 0.15 -0.43 1.56 0.00 0.00 0.00 178.15 179.04 1smk h GLN 251 N 0.83 0.00 -0.20 2.37 4.20 -0.74 -3.18 115.11 118.40 1smk h GLN 251 Ca 0.30 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.93 1smk h GLN 251 Cb 0.08 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1smk h GLN 251 CO -0.14 0.43 -0.14 0.09 -0.67 0.00 0.00 178.83 178.40 1smk n ASN 252 N -3.56 2.56 -0.08 1.46 3.02 -0.22 -3.66 115.26 114.79 1smk n ASN 252 Ca -0.00 -3.54 0.03 0.00 -0.03 0.00 0.00 54.58 51.04 1smk n ASN 252 Cb 0.54 -0.56 0.37 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.98 0.74 0.47 7.41 0.00 0.06 -2.85 103.07 109.89 1smk h GLY 253 Ca 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1smk h GLY 253 CO 0.21 0.26 -0.40 -1.33 0.00 0.00 0.00 176.54 175.28 1smk h GLY 254 N 0.71 -1.15 1.38 4.60 0.00 -1.85 -2.68 103.07 104.07 1smk h GLY 254 Ca 0.20 0.51 0.09 0.00 0.00 0.00 0.00 47.33 48.13 1smk h GLY 254 CO -0.05 -0.36 0.22 -0.91 0.00 0.00 0.00 176.54 175.45 1smk h THR 255 N -0.86 0.83 -0.81 4.70 1.35 -1.91 -0.54 112.91 115.67 1smk h THR 255 Ca -0.06 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.93 1smk h THR 255 Cb 0.72 0.84 -0.09 0.00 -1.73 0.00 0.00 68.15 67.90 1smk h THR 255 CO -0.01 0.00 0.41 -0.08 -0.25 0.00 0.00 175.52 175.59 1smk h GLU 256 N 0.00 0.61 0.19 4.72 4.81 -1.24 0.47 114.58 124.14 1smk h GLU 256 Ca 0.15 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 1smk h GLU 256 Cb 0.59 -0.14 0.03 0.00 0.63 0.00 0.00 28.75 29.86 1smk h GLU 256 CO -0.00 0.40 -1.13 0.28 -0.73 0.00 0.00 179.01 177.84 1smk h VAL 257 N 0.63 1.40 -0.78 0.32 2.07 -1.08 -2.15 116.25 116.67 1smk h VAL 257 Ca 0.43 -2.60 0.09 0.00 0.82 0.00 0.00 66.70 65.44 1smk h VAL 257 Cb 0.55 3.10 -0.07 0.00 -1.52 0.00 0.00 31.29 33.35 1smk h VAL 257 CO -0.33 0.76 0.43 0.58 0.02 0.00 0.00 177.57 179.02 1smk h VAL 258 N -0.11 0.89 0.56 2.57 2.07 -0.79 0.10 116.25 121.55 1smk h VAL 258 Ca -0.19 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1smk h VAL 258 Cb 1.88 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1smk h VAL 258 CO 0.21 0.13 -0.27 -0.08 0.02 0.00 0.00 177.57 177.58 1smk h GLU 259 N 0.72 -0.73 -0.54 1.57 4.81 -0.13 -2.82 114.58 117.45 1smk h GLU 259 Ca 0.38 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.81 1smk h GLU 259 Cb 0.36 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1smk h GLU 259 CO -0.25 -0.46 0.39 0.00 -0.73 0.00 0.00 179.01 177.95 1smk h ALA 260 N -0.40 2.50 -0.18 2.92 0.00 -0.67 0.27 119.26 123.69 1smk h ALA 260 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1smk h ALA 260 Cb 0.60 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1smk h ALA 260 CO 0.13 -0.65 0.00 1.63 0.00 0.00 0.00 179.25 180.36 1smk n LYS 261 N -4.38 1.73 -3.30 0.00 5.02 -0.05 -4.92 118.16 112.26 1smk n LYS 261 Ca 0.10 -0.78 -0.10 0.00 -2.02 0.00 0.00 58.31 55.50 1smk n LYS 261 Cb 0.61 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 34.23 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 0.12 -2.57 0.00 7.82 0.00 0.08 -3.42 120.51 122.55 1smk n ALA 262 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1smk n ALA 262 Cb 0.32 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 0.00 3.48 0.00 0.00 -1.13 -4.76 105.19 101.10 1smk n GLY 263 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 1smk n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smk s ALA 264 N 0.00 3.48 0.00 4.61 0.00 -1.22 -4.85 121.76 123.77 1smk s ALA 264 Ca 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 51.96 49.06 1smk s ALA 264 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1smk s ALA 264 CO 0.00 -3.01 0.00 0.41 0.00 0.00 0.00 175.76 173.16 1smk n GLY 265 N 5.24 4.09 1.86 0.00 0.00 -1.26 -4.93 105.19 110.18 1smk n GLY 265 Ca 0.30 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1smk n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1smk n SER 266 N 0.00 2.67 -4.78 1.61 3.41 -1.26 -4.21 113.62 111.06 1smk n SER 266 Ca 0.00 -2.13 -0.41 0.00 -0.26 0.00 0.00 58.87 56.08 1smk n SER 266 Cb 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1smk n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1smk s ALA 267 N -2.44 3.49 0.19 7.33 0.00 -1.26 -4.88 121.76 124.20 1smk s ALA 267 Ca 0.01 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1smk s ALA 267 Cb -0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1smk s ALA 267 CO 0.01 -1.12 0.00 0.25 0.00 0.00 0.00 175.76 174.89 1smk n THR 268 N 0.27 0.05 0.38 0.00 -2.24 -1.26 -4.79 114.28 106.68 1smk n THR 268 Ca 0.02 0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.67 1smk n THR 268 Cb 0.40 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.82 -2.04 3.22 3.38 -1.89 0.87 115.31 118.02 1smk h LEU 269 Ca 0.00 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1smk h LEU 269 Cb 0.02 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1smk h LEU 269 CO 0.00 -0.53 0.26 0.77 0.09 0.00 0.00 178.44 179.02 1smk h SER 270 N -1.08 0.00 0.30 -0.43 4.64 -1.99 0.22 113.55 115.22 1smk h SER 270 Ca -0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1smk h SER 270 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1smk h SER 270 CO 0.16 0.00 -0.15 -0.03 -0.87 0.00 0.00 176.83 175.95 1smk h MET 271 N 0.00 -0.39 -0.86 4.77 1.85 -1.80 -1.74 114.93 116.75 1smk h MET 271 Ca 0.16 0.03 0.10 0.00 -0.61 0.00 0.00 59.70 59.38 1smk h MET 271 Cb 0.67 0.09 -0.08 0.00 0.43 0.00 0.00 31.60 32.71 1smk h MET 271 CO -0.00 -0.07 0.50 0.00 -0.40 0.00 0.00 176.91 176.94 1smk h ALA 272 N -0.22 1.25 -0.62 0.39 0.00 0.20 0.22 119.26 120.47 1smk h ALA 272 Ca -0.04 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1smk h ALA 272 Cb 0.50 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1smk h ALA 272 CO 0.07 0.11 0.28 -0.92 0.00 0.00 0.00 179.25 178.78 1smk h TYR 273 N 0.82 0.49 -0.20 0.00 3.20 -0.87 -0.48 116.97 119.93 1smk h TYR 273 Ca 0.42 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.20 1smk h TYR 273 Cb 0.41 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1smk h TYR 273 CO -0.05 0.17 -0.33 0.00 -1.64 0.00 0.00 178.16 176.31 1smk h ALA 274 N 1.39 0.31 -0.16 1.82 0.00 -0.16 -1.77 119.26 120.69 1smk h ALA 274 Ca 0.30 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1smk h ALA 274 Cb 0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1smk h ALA 274 CO -0.26 0.35 -0.08 0.00 0.00 0.00 0.00 179.25 179.26 1smk h ALA 275 N 0.61 0.05 0.16 0.00 0.00 -0.21 -0.29 119.26 119.58 1smk h ALA 275 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1smk h ALA 275 Cb 0.92 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1smk h ALA 275 CO 0.08 -0.52 -0.08 0.28 0.00 0.00 0.00 179.25 179.01 1smk h VAL 276 N -0.07 0.89 -0.67 0.00 2.07 -1.13 0.24 116.25 117.58 1smk h VAL 276 Ca 0.09 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.55 1smk h VAL 276 Cb 0.20 1.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.85 1smk h VAL 276 CO -0.20 0.05 -0.18 0.50 0.02 0.00 0.00 177.57 177.75 1smk h LYS 277 N -0.31 -0.01 -0.46 1.57 3.64 -1.02 0.65 116.57 120.64 1smk h LYS 277 Ca -0.02 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1smk h LYS 277 Cb 0.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1smk h LYS 277 CO 0.04 -0.01 -0.06 0.35 -2.27 0.00 0.00 179.45 177.49 1smk h PHE 278 N -0.01 0.87 -0.37 1.91 3.57 -0.79 -2.44 116.94 119.67 1smk h PHE 278 Ca 0.32 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1smk h PHE 278 Cb 0.50 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1smk h PHE 278 CO -0.55 0.83 0.22 0.00 -2.23 0.00 0.00 178.31 176.59 1smk h ALA 279 N 1.19 0.47 -0.77 2.41 0.00 0.34 -1.27 119.26 121.64 1smk h ALA 279 Ca 0.13 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1smk h ALA 279 Cb 0.54 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1smk h ALA 279 CO 0.03 -0.03 0.51 0.22 0.00 0.00 0.00 179.25 179.97 1smk h ASP 280 N 0.49 0.79 -0.07 0.00 3.58 0.24 0.01 116.42 121.46 1smk h ASP 280 Ca 0.13 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1smk h ASP 280 Cb 0.00 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 1smk h ASP 280 CO -0.03 0.54 0.03 0.00 -2.88 0.00 0.00 179.24 176.91 1smk h ALA 281 N 1.56 0.09 -0.88 -0.78 0.00 -0.85 0.20 119.26 118.59 1smk h ALA 281 Ca 0.31 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1smk h ALA 281 Cb 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1smk h ALA 281 CO -0.09 -0.36 0.58 0.00 0.00 0.00 0.00 179.25 179.38 1smk h LEU 283 N 1.06 -0.05 -1.86 0.00 3.38 -0.61 -0.67 115.31 116.57 1smk h LEU 283 Ca 0.36 -0.34 0.15 0.00 0.09 0.00 0.00 57.88 58.14 1smk h LEU 283 Cb 0.10 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1smk h LEU 283 CO -0.12 0.32 0.41 0.03 0.09 0.00 0.00 178.44 179.17 1smk h ARG 284 N -0.42 0.14 0.09 1.13 3.08 -0.14 0.68 114.38 118.93 1smk h ARG 284 Ca -0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1smk h ARG 284 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1smk h ARG 284 CO 0.01 0.09 -0.04 0.78 -1.07 0.00 0.00 179.97 179.74 1smk h GLY 285 N 0.14 -0.12 1.66 0.04 0.00 -0.79 -0.75 103.07 103.25 1smk h GLY 285 Ca 0.28 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.68 1smk h GLY 285 CO -0.04 -0.05 0.18 1.41 0.00 0.00 0.00 176.54 178.04 1smk h LEU 286 N -0.65 0.22 -1.26 3.11 3.38 0.64 -0.22 115.31 120.52 1smk h LEU 286 Ca -0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1smk h LEU 286 Cb 0.52 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1smk h LEU 286 CO 0.02 0.15 0.03 -0.09 0.09 0.00 0.00 178.44 178.64 1smk h ARG 287 N 0.25 0.53 0.00 1.13 2.43 0.35 -3.43 114.38 115.64 1smk h ARG 287 Ca 0.11 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1smk h ARG 287 Cb 0.12 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1smk h ARG 287 CO -0.02 0.53 0.00 0.41 -1.51 0.00 0.00 179.97 179.38 1smk n GLY 288 N -0.94 1.10 3.72 2.80 0.00 -0.10 -5.07 105.19 106.69 1smk n GLY 288 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1smk n GLY 288 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1smk s ASP 289 N -0.99 4.17 0.26 1.61 1.11 -0.32 -5.02 116.67 117.49 1smk s ASP 289 Ca 0.00 2.48 0.07 0.00 0.18 0.00 0.00 52.55 55.28 1smk s ASP 289 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.35 1smk s ASP 289 CO 0.00 -2.29 0.24 0.00 1.18 0.00 0.00 175.17 174.30 1smk s ALA 290 N -1.77 3.69 -1.77 5.23 0.00 -1.26 -4.59 121.76 121.28 1smk s ALA 290 Ca 0.78 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1smk s ALA 290 Cb -0.33 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.43 1smk s ALA 290 CO 0.44 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.82 1smk n GLY 291 N -1.25 0.68 3.54 0.00 0.00 -1.26 -4.90 105.19 102.00 1smk n GLY 291 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.73 4.01 -0.19 1.61 1.01 -1.26 -4.97 120.40 117.89 1smk s VAL 292 Ca 0.00 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1smk s VAL 292 Cb 0.00 -5.00 -0.03 0.00 0.00 0.00 0.00 36.38 31.35 1smk s VAL 292 CO 0.00 -1.86 0.03 -0.63 0.00 0.00 0.00 175.10 172.64 1smk s ILE 293 N 4.74 4.33 0.04 2.22 1.01 -1.26 -0.32 121.20 131.97 1smk s ILE 293 Ca 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 1smk s ILE 293 Cb -0.02 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1smk s ILE 293 CO -0.06 0.44 0.02 -1.61 0.00 0.00 0.00 174.94 173.73 1smk s GLU 294 N 0.67 0.56 0.03 2.79 0.41 -0.10 -4.94 118.70 118.12 1smk s GLU 294 Ca 0.01 -0.96 -0.19 0.00 -0.41 0.00 0.00 54.97 53.43 1smk s GLU 294 Cb -0.14 0.20 -0.06 0.00 -1.78 0.00 0.00 34.13 32.36 1smk s GLU 294 CO 0.02 -0.12 0.54 0.00 -0.49 0.00 0.00 175.26 175.21 1smk s ALA 296 N -0.78 -1.82 -0.57 0.00 0.00 -1.15 -4.49 121.76 112.95 1smk s ALA 296 Ca 0.28 1.72 -0.27 0.00 0.00 0.00 0.00 51.96 53.69 1smk s ALA 296 Cb -0.18 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.19 1smk s ALA 296 CO 0.17 -0.33 1.14 0.12 0.00 0.00 0.00 175.76 176.86 1smk s PHE 297 N -0.32 2.65 0.07 0.00 5.36 -0.23 -2.79 117.98 122.72 1smk s PHE 297 Ca -0.03 0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.30 1smk s PHE 297 Cb -0.03 -4.43 -0.01 0.00 -0.34 0.00 0.00 43.02 38.22 1smk s PHE 297 CO 0.03 -1.53 0.05 1.33 -1.46 0.00 0.00 175.22 173.64 1smk n VAL 298 N 6.59 0.00 -2.40 3.12 0.24 -0.91 0.47 118.33 125.44 1smk n VAL 298 Ca 0.07 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.46 1smk n VAL 298 Cb 0.49 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 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 -1.49 6.11 0.10 -1.34 0.15 -1.26 -0.85 113.70 115.11 1smk s SER 299 Ca 0.07 0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.94 1smk s SER 299 Cb 0.00 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1smk s SER 299 CO 0.05 -1.75 -0.09 -0.94 1.20 0.00 0.00 173.24 171.72 1smk s SER 300 N 4.44 1.32 -0.27 5.45 1.04 -0.78 -4.95 113.70 119.95 1smk s SER 300 Ca 0.50 -0.87 0.09 0.00 0.48 0.00 0.00 55.95 56.15 1smk s SER 300 Cb -0.10 0.04 0.49 0.00 0.10 0.00 0.00 66.02 66.54 1smk s SER 300 CO 0.24 -0.33 1.40 0.00 0.98 0.00 0.00 173.24 175.52 1smk n GLN 301 N 0.36 1.77 0.04 4.02 3.00 -1.26 -4.23 117.38 121.08 1smk n GLN 301 Ca -0.15 -3.23 0.12 0.00 -0.01 0.00 0.00 57.00 53.74 1smk n GLN 301 Cb 0.59 -1.77 0.49 0.00 0.00 0.00 0.00 30.24 29.55 1smk n GLN 301 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1smk n VAL 302 N -1.13 0.45 -3.98 5.09 0.31 -1.26 -4.82 118.33 112.99 1smk n VAL 302 Ca 0.30 0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.52 1smk n VAL 302 Cb 0.95 -0.70 -0.03 0.00 -0.91 0.00 0.00 33.84 33.15 1smk n VAL 302 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1smk n THR 303 N -1.78 0.00 0.40 2.52 -2.24 -1.26 -4.91 114.28 107.01 1smk n THR 303 Ca 0.05 -1.38 0.13 0.00 -2.27 0.00 0.00 64.05 60.58 1smk n THR 303 Cb 0.32 0.81 0.36 0.00 -2.10 0.00 0.00 70.33 69.71 1smk n THR 303 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1smk h GLU 304 N 0.00 0.00 -6.94 -0.78 9.09 -1.91 -3.44 114.58 110.59 1smk h GLU 304 Ca -0.19 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.73 1smk h GLU 304 Cb 0.86 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.99 1smk h GLU 304 CO 0.26 0.00 0.44 -0.51 0.05 0.00 0.00 179.01 179.25 1smk s LEU 305 N -5.39 4.19 0.46 3.06 1.02 -1.26 -4.95 118.68 115.81 1smk s LEU 305 Ca 0.07 2.14 0.26 0.00 0.02 0.00 0.00 54.13 56.62 1smk s LEU 305 Cb 0.09 -4.09 0.84 0.00 0.02 0.00 0.00 46.19 43.04 1smk s LEU 305 CO 0.60 -0.51 1.79 1.55 0.02 0.00 0.00 176.35 179.79 1smk h PRO 306 N 2.64 0.00 -5.28 1.29 0.13 -1.86 -3.42 132.00 125.51 1smk h PRO 306 Ca -0.48 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.18 1smk h PRO 306 Cb 1.22 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 1smk h PRO 306 CO 0.63 0.15 -0.80 -0.06 -0.23 0.00 0.00 178.00 177.68 1smk s PHE 307 N -3.49 1.23 -0.17 1.56 0.08 -1.26 -1.87 117.98 114.05 1smk s PHE 307 Ca 0.02 -0.28 -0.29 0.00 0.12 0.00 0.00 56.93 56.50 1smk s PHE 307 Cb 0.08 -0.76 0.12 0.00 -0.57 0.00 0.00 43.02 41.89 1smk s PHE 307 CO 0.63 0.00 0.95 0.12 -0.10 0.00 0.00 175.22 176.82 1smk s PHE 308 N -0.54 -0.44 -0.20 0.36 5.36 -0.03 -4.84 117.98 117.65 1smk s PHE 308 Ca 0.04 0.84 -0.18 0.00 -0.96 0.00 0.00 56.93 56.67 1smk s PHE 308 Cb -0.06 0.42 -0.03 0.00 -0.34 0.00 0.00 43.02 43.01 1smk s PHE 308 CO 0.00 -0.36 0.51 0.00 -1.46 0.00 0.00 175.22 173.91 1smk s ALA 309 N -0.82 3.54 0.04 11.12 0.00 0.30 -2.14 121.76 133.80 1smk s ALA 309 Ca -0.02 -0.41 -0.27 0.00 0.00 0.00 0.00 51.96 51.25 1smk s ALA 309 Cb -0.01 -2.79 0.09 0.00 0.00 0.00 0.00 23.12 20.41 1smk s ALA 309 CO 0.01 -0.42 0.81 -1.54 0.00 0.00 0.00 175.76 174.62 1smk s SER 310 N 1.14 -0.42 0.17 0.00 1.04 -1.12 0.17 113.70 114.68 1smk s SER 310 Ca 0.24 0.01 -0.33 0.00 0.48 0.00 0.00 55.95 56.34 1smk s SER 310 Cb -0.15 0.44 -0.15 0.00 0.10 0.00 0.00 66.02 66.26 1smk s SER 310 CO 0.09 -0.71 1.34 0.29 0.98 0.00 0.00 173.24 175.23 1smk n LYS 311 N -0.27 1.59 -4.30 4.02 5.02 -1.26 -2.94 118.16 120.02 1smk n LYS 311 Ca -0.11 0.57 -0.19 0.00 -2.02 0.00 0.00 58.31 56.56 1smk n LYS 311 Cb 0.63 -2.19 -0.13 0.00 -0.02 0.00 0.00 35.03 33.32 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 0.16 1.04 -0.25 -0.18 -7.23 0.32 -0.90 120.40 113.36 1smk s VAL 312 Ca 0.75 -1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.78 1smk s VAL 312 Cb -0.78 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1smk s VAL 312 CO 0.48 -0.04 0.31 -0.60 -0.31 0.00 0.00 175.10 174.94 1smk s ARG 313 N -1.19 4.06 -0.15 4.82 3.52 0.31 -0.93 118.95 129.39 1smk s ARG 313 Ca 0.00 -0.03 -0.24 0.00 -0.13 0.00 0.00 55.73 55.33 1smk s ARG 313 Cb -0.08 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.68 1smk s ARG 313 CO 0.01 -0.14 0.75 -0.51 -0.81 0.00 0.00 175.30 174.60 1smk s LEU 314 N 1.64 4.20 0.00 -0.88 1.43 0.57 -0.25 118.68 125.39 1smk s LEU 314 Ca 0.13 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1smk s LEU 314 Cb -0.15 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1smk s LEU 314 CO 0.09 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.98 1smk n GLY 315 N 3.45 5.13 0.17 -3.19 0.00 0.29 -4.51 105.19 106.53 1smk n GLY 315 Ca 0.02 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.20 1smk n GLY 315 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1smk h ARG 316 N 0.00 0.00 0.00 1.61 3.08 -1.82 -2.61 114.38 114.64 1smk h ARG 316 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 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 -0.33 0.09 -1.07 0.00 0.00 179.97 178.66 1smk n ASN 317 N -2.37 1.73 0.00 7.04 3.02 -1.26 -4.78 115.26 118.65 1smk n ASN 317 Ca 0.00 -3.17 0.00 0.00 -0.03 0.00 0.00 54.58 51.39 1smk n ASN 317 Cb 0.14 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 -0.99 0.97 3.67 7.41 0.00 -0.99 -4.31 105.19 110.95 1smk n GLY 318 Ca 0.14 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 4.37 -0.48 -0.61 1.01 0.30 0.11 121.20 125.90 1smk s ILE 319 Ca 0.00 1.66 0.22 0.00 0.00 0.00 0.00 60.65 62.54 1smk s ILE 319 Cb 0.00 -4.07 -0.20 0.00 0.01 0.00 0.00 42.46 38.20 1smk s ILE 319 CO 0.00 -0.12 0.83 1.21 0.00 0.00 0.00 174.94 176.86 1smk n GLU 320 N 6.29 0.37 -3.65 2.79 4.07 0.65 -4.80 120.64 126.36 1smk n GLU 320 Ca 0.13 -0.06 -0.02 0.00 -0.06 0.00 0.00 57.16 57.16 1smk n GLU 320 Cb 0.45 -1.57 -0.07 0.00 -0.06 0.00 0.00 31.44 30.20 1smk n GLU 320 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1smk s GLU 321 N -3.27 0.21 -0.28 5.31 2.12 -1.22 -4.97 118.70 116.60 1smk s GLU 321 Ca 0.01 0.31 -0.10 0.00 0.36 0.00 0.00 54.97 55.55 1smk s GLU 321 Cb 0.14 0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 1smk s GLU 321 CO 0.85 -0.04 0.14 0.08 -0.54 0.00 0.00 175.26 175.76 1smk s VAL 322 N 0.77 4.81 0.71 3.70 1.01 -1.26 -0.53 120.40 129.62 1smk s VAL 322 Ca -0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1smk s VAL 322 Cb -0.04 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 33.05 1smk s VAL 322 CO -0.12 0.23 1.08 -0.31 0.00 0.00 0.00 175.10 175.98 1smk s TYR 323 N 1.68 3.23 0.65 5.22 2.02 -0.08 -5.02 117.35 125.05 1smk s TYR 323 Ca 0.06 0.92 -0.08 0.00 -0.37 0.00 0.00 57.07 57.61 1smk s TYR 323 Cb -0.16 -3.11 0.02 0.00 -0.40 0.00 0.00 41.96 38.31 1smk s TYR 323 CO 0.07 -1.25 0.98 -1.54 -1.57 0.00 0.00 175.55 172.25 1smk s SER 324 N -4.40 5.41 0.40 2.29 1.04 -1.26 -4.66 113.70 112.52 1smk s SER 324 Ca 0.58 0.80 0.09 0.00 0.48 0.00 0.00 55.95 57.90 1smk s SER 324 Cb -0.11 -1.67 0.83 0.00 0.10 0.00 0.00 66.02 65.17 1smk s SER 324 CO 0.50 -1.24 1.96 -0.07 0.98 0.00 0.00 173.24 175.37 1smk h LEU 325 N -0.40 0.27 0.00 2.42 3.38 -1.97 -3.45 115.31 115.56 1smk h LEU 325 Ca -0.45 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1smk h LEU 325 Cb 1.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1smk h LEU 325 CO 0.62 0.35 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1smk n GLY 326 N -1.06 -1.98 3.65 0.83 0.00 -1.26 -4.90 105.19 100.48 1smk n GLY 326 Ca -0.00 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.08 4.12 0.05 1.61 0.04 -1.26 -5.02 135.00 134.45 1smk s PRO 327 Ca 0.00 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.02 1smk s PRO 327 Cb 0.00 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 1smk s PRO 327 CO 0.00 -0.89 -0.10 -0.51 0.04 0.00 0.00 177.00 175.53 1smk s LEU 328 N 4.10 3.00 0.00 -3.56 1.43 -1.26 -4.79 118.68 117.60 1smk s LEU 328 Ca 0.67 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1smk s LEU 328 Cb -0.28 -1.76 0.10 0.00 0.03 0.00 0.00 46.19 44.28 1smk s LEU 328 CO 0.25 0.24 0.75 -0.46 0.23 0.00 0.00 176.35 177.36 1smk n ASN 329 N 1.27 1.48 0.27 2.29 0.23 -1.26 -4.79 115.26 114.75 1smk n ASN 329 Ca -0.15 -2.14 -0.17 0.00 -0.53 0.00 0.00 54.58 51.59 1smk n ASN 329 Cb 0.52 -0.44 -0.09 0.00 -2.08 0.00 0.00 39.78 37.68 1smk n ASN 329 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1smk h GLU 330 N 0.00 -0.92 -1.03 -3.83 4.57 -2.01 0.66 114.58 112.02 1smk h GLU 330 Ca -0.25 0.06 0.27 0.00 -1.18 0.00 0.00 59.36 58.26 1smk h GLU 330 Cb 1.04 0.21 -0.12 0.00 -0.16 0.00 0.00 28.75 29.72 1smk h GLU 330 CO 0.31 -0.61 0.63 -0.92 -1.18 0.00 0.00 179.01 177.24 1smk h TYR 331 N -0.95 0.86 0.22 0.92 3.20 -1.99 0.24 116.97 119.47 1smk h TYR 331 Ca -0.06 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.52 1smk h TYR 331 Cb 0.83 -0.24 0.03 0.00 1.54 0.00 0.00 36.73 38.89 1smk h TYR 331 CO -0.26 0.02 -1.46 0.93 -1.64 0.00 0.00 178.16 175.74 1smk h GLU 332 N 0.46 0.47 -0.56 1.82 5.08 -1.81 -1.30 114.58 118.75 1smk h GLU 332 Ca 0.65 -0.80 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1smk h GLU 332 Cb 1.45 0.30 -0.03 0.00 0.50 0.00 0.00 28.75 30.97 1smk h GLU 332 CO -0.43 1.38 0.22 0.00 -1.00 0.00 0.00 179.01 179.18 1smk h ARG 333 N 0.13 0.81 0.08 2.33 3.08 0.20 0.38 114.38 121.39 1smk h ARG 333 Ca -0.24 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 1smk h ARG 333 Cb 2.12 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 32.03 1smk h ARG 333 CO 0.25 0.67 -0.04 0.82 -1.07 0.00 0.00 179.97 180.60 1smk h ILE 334 N 0.80 1.16 -0.91 2.04 2.04 -0.64 -2.47 117.51 119.53 1smk h ILE 334 Ca 0.19 -0.98 0.10 0.00 1.00 0.00 0.00 64.86 65.17 1smk h ILE 334 Cb 0.16 1.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.95 1smk h ILE 334 CO -0.02 0.24 0.55 1.23 0.00 0.00 0.00 178.15 180.15 1smk h GLY 335 N -0.57 1.44 0.95 5.37 0.00 -0.83 0.21 103.07 109.64 1smk h GLY 335 Ca -0.01 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.02 1smk h GLY 335 CO 0.02 0.15 0.52 -2.00 0.00 0.00 0.00 176.54 175.24 1smk h LEU 336 N 0.90 0.76 -0.30 3.11 5.85 -0.17 0.29 115.31 125.74 1smk h LEU 336 Ca 0.44 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 59.05 1smk h LEU 336 Cb 0.40 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1smk h LEU 336 CO -0.25 0.48 -0.26 -0.08 -0.34 0.00 0.00 178.44 177.99 1smk h GLU 337 N 0.86 0.70 -0.51 1.25 4.57 -0.15 -1.06 114.58 120.24 1smk h GLU 337 Ca 0.35 -0.36 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1smk h GLU 337 Cb 0.25 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1smk h GLU 337 CO -0.12 0.97 -0.09 0.87 -1.18 0.00 0.00 179.01 179.46 1smk h LYS 338 N 0.45 0.93 0.70 1.92 1.57 -0.45 -2.54 116.57 119.15 1smk h LYS 338 Ca 0.05 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 1smk h LYS 338 Cb 0.83 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1smk h LYS 338 CO 0.07 0.98 -0.35 0.00 -0.57 0.00 0.00 179.45 179.58 1smk h ALA 339 N 1.05 -0.96 -0.72 3.86 0.00 -0.35 -2.85 119.26 119.29 1smk h ALA 339 Ca 0.14 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.99 1smk h ALA 339 Cb 0.62 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 1smk h ALA 339 CO 0.04 -1.04 0.21 0.87 0.00 0.00 0.00 179.25 179.33 1smk h LYS 340 N -0.96 0.32 0.00 0.00 1.57 -1.16 0.11 116.57 116.44 1smk h LYS 340 Ca -0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1smk h LYS 340 Cb 0.74 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1smk h LYS 340 CO 0.14 0.21 0.00 1.63 -0.57 0.00 0.00 179.45 180.86 1smk n LYS 341 N -5.10 0.00 -0.26 3.15 5.02 -0.96 -0.67 118.16 119.34 1smk n LYS 341 Ca 0.13 0.42 0.17 0.00 -2.02 0.00 0.00 58.31 57.02 1smk n LYS 341 Cb 0.42 -1.13 0.48 0.00 -0.02 0.00 0.00 35.03 34.78 1smk n LYS 341 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1smk h GLU 342 N 0.00 0.46 -0.25 1.97 4.81 -1.38 -2.39 114.58 117.80 1smk h GLU 342 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1smk h GLU 342 Cb 0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1smk h GLU 342 CO 0.00 0.31 0.11 1.25 -0.73 0.00 0.00 179.01 179.94 1smk h LEU 343 N 0.48 0.35 -0.69 1.64 5.85 -0.41 -2.61 115.31 119.92 1smk h LEU 343 Ca 0.48 -0.16 0.14 0.00 0.84 0.00 0.00 57.88 59.18 1smk h LEU 343 Cb 1.08 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.89 1smk h LEU 343 CO -0.20 0.41 -0.20 0.00 -0.34 0.00 0.00 178.44 178.11 1smk h ALA 344 N 0.95 0.40 -0.37 1.25 0.00 -0.35 -0.30 119.26 120.84 1smk h ALA 344 Ca 0.09 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1smk h ALA 344 Cb 0.17 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1smk h ALA 344 CO -0.01 -0.45 0.16 0.78 0.00 0.00 0.00 179.25 179.73 1smk h GLY 345 N -0.02 0.59 0.35 0.00 0.00 -1.59 -2.41 103.07 99.99 1smk h GLY 345 Ca 0.33 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.42 1smk h GLY 345 CO -0.72 0.29 -0.03 1.76 0.00 0.00 0.00 176.54 177.84 1smk h SER 346 N 0.46 -0.22 -0.74 0.19 0.02 -0.72 0.22 113.55 112.76 1smk h SER 346 Ca 0.13 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1smk h SER 346 Cb 0.16 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1smk h SER 346 CO -0.01 -0.07 0.42 0.40 -1.14 0.00 0.00 176.83 176.43 1smk h ILE 347 N 0.07 1.22 0.18 3.27 2.04 -1.14 -2.82 117.51 120.33 1smk h ILE 347 Ca 0.18 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1smk h ILE 347 Cb 0.26 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1smk h ILE 347 CO -0.33 0.24 -0.09 -0.08 0.00 0.00 0.00 178.15 177.90 1smk h GLU 348 N 1.04 -0.23 -1.12 2.37 4.57 -0.66 0.16 114.58 120.71 1smk h GLU 348 Ca 0.27 0.02 0.32 0.00 -1.18 0.00 0.00 59.36 58.79 1smk h GLU 348 Cb 0.01 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 28.55 1smk h GLU 348 CO -0.04 0.03 0.72 -0.22 -1.18 0.00 0.00 179.01 178.31 1smk h LYS 349 N -0.47 0.28 0.12 1.92 3.64 -0.40 0.26 116.57 121.92 1smk h LYS 349 Ca -0.02 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 1smk h LYS 349 Cb 0.36 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1smk h LYS 349 CO 0.04 0.19 -0.94 0.78 -2.27 0.00 0.00 179.45 177.24 1smk h GLY 350 N 0.29 0.28 0.75 5.01 0.00 -1.27 -2.82 103.07 105.30 1smk h GLY 350 Ca 0.68 -0.71 0.05 0.00 0.00 0.00 0.00 47.33 47.35 1smk h GLY 350 CO -0.37 0.62 0.38 -2.08 0.00 0.00 0.00 176.54 175.09 1smk h VAL 351 N -0.44 1.01 -0.01 4.60 2.07 0.39 -2.66 116.25 121.21 1smk h VAL 351 Ca -0.19 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1smk h VAL 351 Cb 1.61 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1smk h VAL 351 CO 0.09 0.13 0.00 -1.28 0.02 0.00 0.00 177.57 176.54 1smk h SER 352 N 0.71 0.01 -1.08 0.57 0.87 -0.66 -1.58 113.55 112.39 1smk h SER 352 Ca 0.28 -0.02 0.35 0.00 -1.23 0.00 0.00 61.79 61.17 1smk h SER 352 Cb 0.13 -0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.95 1smk h SER 352 CO -0.15 0.03 0.65 0.15 -0.53 0.00 0.00 176.83 176.98 1smk h PHE 353 N -0.01 0.79 0.00 2.24 3.57 -1.20 0.24 116.94 122.57 1smk h PHE 353 Ca 0.00 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 1smk h PHE 353 Cb 0.02 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1smk h PHE 353 CO -0.07 -0.17 -0.74 0.82 -2.23 0.00 0.00 178.31 175.92 1smk h ILE 354 N 0.26 1.12 0.00 1.41 1.08 -1.48 -3.35 117.51 116.55 1smk h ILE 354 Ca 0.74 -2.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 1smk h ILE 354 Cb 1.90 2.39 0.00 0.00 -3.07 0.00 0.00 36.82 38.04 1smk h ILE 354 CO -0.53 0.38 0.00 0.54 -0.69 0.00 0.00 178.15 177.85 1smk n ARG 355 N -4.52 0.35 0.00 2.37 1.74 -0.61 -5.07 116.66 110.92 1smk n ARG 355 Ca -0.22 0.07 0.15 0.00 -0.77 0.00 0.00 57.85 57.08 1smk n ARG 355 Cb 0.56 -1.50 0.68 0.00 -1.02 0.00 0.00 32.46 31.18 1smk n ARG 355 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54