#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 2.42 -0.24 1.61 0.40 0.59 -4.71 117.98 118.05 1smk s PHE 45 Ca 0.00 -0.36 -0.09 0.00 -0.60 0.00 0.00 56.93 55.88 1smk s PHE 45 Cb 0.00 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 1smk s PHE 45 CO 0.00 0.64 0.11 0.15 0.70 0.00 0.00 175.22 176.82 1smk s LYS 46 N -3.59 3.89 -0.11 0.44 1.02 -1.26 -0.20 119.74 119.92 1smk s LYS 46 Ca 0.31 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.97 1smk s LYS 46 Cb -0.03 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1smk s LYS 46 CO 0.17 -0.02 -0.22 0.08 -0.92 0.00 0.00 175.35 174.43 1smk s VAL 47 N 1.22 1.98 -0.17 3.17 1.01 -0.31 -0.58 120.40 126.72 1smk s VAL 47 Ca 0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1smk s VAL 47 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1smk s VAL 47 CO 0.05 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.63 1smk s ALA 48 N 0.52 2.87 -0.29 5.51 0.00 -0.41 -0.37 121.76 129.59 1smk s ALA 48 Ca -0.15 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 50.78 1smk s ALA 48 Cb -0.17 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 1smk s ALA 48 CO 0.05 -0.01 0.09 0.42 0.00 0.00 0.00 175.76 176.31 1smk s ILE 49 N 0.76 4.18 -0.35 0.00 1.01 0.15 -0.85 121.20 126.10 1smk s ILE 49 Ca -0.02 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 1smk s ILE 49 Cb -0.15 -3.10 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 1smk s ILE 49 CO 0.02 0.13 0.52 -0.76 0.00 0.00 0.00 174.94 174.85 1smk s LEU 50 N 1.55 4.34 0.00 2.97 1.43 0.00 -1.51 118.68 127.46 1smk s LEU 50 Ca 0.04 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1smk s LEU 50 Cb -0.17 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1smk s LEU 50 CO 0.03 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.74 1smk n GLY 51 N 4.78 1.29 0.03 -3.19 0.00 -0.05 -1.94 105.19 106.10 1smk n GLY 51 Ca -0.05 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.97 1smk n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smk n ALA 52 N -0.54 1.70 1.06 4.61 0.00 -0.28 -2.75 120.51 124.32 1smk n ALA 52 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1smk n ALA 52 Cb 0.06 -1.28 0.19 0.00 0.00 0.00 0.00 19.45 18.42 1smk n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smk n ALA 53 N -1.56 3.66 -1.17 0.00 0.00 -1.26 -1.69 120.51 118.49 1smk n ALA 53 Ca 0.03 -0.43 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 1smk n ALA 53 Cb 0.19 -1.03 0.14 0.00 0.00 0.00 0.00 19.45 18.75 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 1.46 -2.31 0.31 0.00 0.00 -1.11 -4.67 105.19 98.87 1smk n GLY 54 Ca 0.07 -1.53 -0.04 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.61 0.98 0.59 -0.02 0.00 -1.93 -2.38 103.07 98.70 1smk h GLY 55 Ca -0.25 -0.57 -0.36 0.00 0.00 0.00 0.00 47.33 46.15 1smk h GLY 55 CO 0.16 0.53 -2.01 1.39 0.00 0.00 0.00 176.54 176.62 1smk n ILE 56 N -4.27 1.74 -0.20 2.60 5.41 -1.26 -4.40 119.36 118.99 1smk n ILE 56 Ca 0.04 -0.67 0.01 0.00 1.00 0.00 0.00 62.75 63.13 1smk n ILE 56 Cb 0.23 -1.62 0.11 0.00 -0.71 0.00 0.00 39.64 37.65 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 1.47 0.73 0.83 7.39 0.00 -1.67 -1.84 103.07 109.97 1smk h GLY 57 Ca -0.42 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1smk h GLY 57 CO 0.07 -0.14 -0.17 1.46 0.00 0.00 0.00 176.54 177.76 1smk h GLN 58 N 0.21 -0.47 -0.65 4.80 4.20 -0.78 0.20 115.11 122.62 1smk h GLN 58 Ca 0.31 0.03 0.03 0.00 0.06 0.00 0.00 58.65 59.09 1smk h GLN 58 Cb 0.48 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1smk h GLN 58 CO -0.44 -0.21 0.40 -1.35 -0.67 0.00 0.00 178.83 176.56 1smk h PRO 59 N -0.67 0.75 -0.49 1.46 0.11 -1.75 0.42 132.00 131.83 1smk h PRO 59 Ca -0.05 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.07 1smk h PRO 59 Cb 0.48 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.37 1smk h PRO 59 CO 0.08 0.50 0.20 1.25 -0.21 0.00 0.00 178.00 179.82 1smk h LEU 60 N 0.78 0.25 -0.61 2.35 5.85 -1.23 -0.86 115.31 121.83 1smk h LEU 60 Ca 0.27 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 1smk h LEU 60 Cb 0.05 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1smk h LEU 60 CO -0.12 0.17 0.34 0.00 -0.34 0.00 0.00 178.44 178.49 1smk h ALA 61 N 1.31 0.79 -0.39 1.25 0.00 0.38 -0.49 119.26 122.10 1smk h ALA 61 Ca 0.23 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1smk h ALA 61 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1smk h ALA 61 CO -0.21 0.30 0.23 1.98 0.00 0.00 0.00 179.25 181.55 1smk h MET 62 N 0.83 0.45 -0.53 0.00 1.85 -0.15 -1.02 114.93 116.37 1smk h MET 62 Ca 0.22 -0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 59.21 1smk h MET 62 Cb 0.04 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.95 1smk h MET 62 CO -0.03 0.30 0.07 -0.07 -0.40 0.00 0.00 176.91 176.77 1smk h LEU 63 N 0.46 0.80 -1.20 3.39 3.38 -0.76 -2.40 115.31 118.99 1smk h LEU 63 Ca 0.16 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1smk h LEU 63 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1smk h LEU 63 CO -0.07 0.83 -0.37 0.24 0.09 0.00 0.00 178.44 179.15 1smk h MET 64 N 0.80 0.00 0.00 1.13 2.86 -0.67 -1.57 114.93 117.48 1smk h MET 64 Ca 0.17 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1smk h MET 64 Cb 0.38 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1smk h MET 64 CO 0.01 0.37 -0.08 -0.22 1.06 0.00 0.00 176.91 178.05 1smk h LYS 65 N 0.00 0.00 0.00 1.72 1.63 -0.67 -2.42 116.57 116.82 1smk h LYS 65 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1smk h LYS 65 Cb 0.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1smk h LYS 65 CO 0.05 0.08 -0.94 0.52 -3.45 0.00 0.00 179.45 175.70 1smk h MET 66 N 0.00 0.00 -6.33 1.90 2.86 -1.15 -3.41 114.93 108.80 1smk h MET 66 Ca -0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1smk h MET 66 Cb 0.43 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1smk h MET 66 CO 0.01 0.00 1.15 1.21 1.06 0.00 0.00 176.91 180.34 1smk s ASN 67 N -5.10 6.24 0.62 1.22 3.84 -0.91 -4.88 114.94 115.97 1smk s ASN 67 Ca 0.01 1.35 0.32 0.00 0.21 0.00 0.00 52.86 54.75 1smk s ASN 67 Cb 0.10 -2.53 1.81 0.00 -0.55 0.00 0.00 41.25 40.09 1smk s ASN 67 CO 0.78 -1.42 2.11 1.55 -2.79 0.00 0.00 177.10 177.33 1smk h PRO 68 N 11.31 0.00 0.00 0.43 0.13 -1.88 0.17 132.00 142.16 1smk h PRO 68 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1smk h PRO 68 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1smk h PRO 68 CO 1.03 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.08 1smk n LEU 69 N -3.45 0.00 -4.55 1.56 4.32 -1.26 -4.66 117.00 108.96 1smk n LEU 69 Ca -0.00 0.19 -0.40 0.00 -0.02 0.00 0.00 56.01 55.78 1smk n LEU 69 Cb 0.29 -0.19 -0.10 0.00 -1.62 0.00 0.00 43.42 41.81 1smk n LEU 69 CO 0.23 -0.01 -0.00 -0.69 -1.22 0.00 0.00 177.39 175.70 1smk s VAL 70 N -2.38 5.20 -0.17 4.08 1.01 0.05 -0.30 120.40 127.89 1smk s VAL 70 Ca 0.33 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 1smk s VAL 70 Cb 0.20 -3.77 -0.17 0.00 0.00 0.00 0.00 36.38 32.64 1smk s VAL 70 CO 0.40 -0.02 0.29 0.77 0.00 0.00 0.00 175.10 176.54 1smk h SER 71 N 8.43 0.00 -4.29 3.32 4.64 -0.86 -2.79 113.55 122.00 1smk h SER 71 Ca -0.31 -0.52 -0.59 0.00 -0.47 0.00 0.00 61.79 59.90 1smk h SER 71 Cb 1.15 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.94 1smk h SER 71 CO 0.67 1.16 -0.85 0.68 -0.87 0.00 0.00 176.83 177.62 1smk s VAL 72 N -2.23 1.57 -0.10 0.95 -7.23 -1.17 -0.42 120.40 111.77 1smk s VAL 72 Ca -0.21 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1smk s VAL 72 Cb 0.02 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.66 1smk s VAL 72 CO 0.51 0.45 -0.16 -0.22 -0.31 0.00 0.00 175.10 175.37 1smk s LEU 73 N -0.36 1.77 -0.15 1.32 2.96 0.17 -1.17 118.68 123.22 1smk s LEU 73 Ca 0.05 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1smk s LEU 73 Cb -0.09 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 1smk s LEU 73 CO 0.00 0.04 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.97 1smk s HIS 74 N 0.80 2.87 -0.32 5.38 3.76 0.50 -0.44 115.29 127.84 1smk s HIS 74 Ca -0.11 -0.64 -0.06 0.00 -0.15 0.00 0.00 55.06 54.10 1smk s HIS 74 Cb -0.16 -1.90 0.03 0.00 1.11 0.00 0.00 32.58 31.66 1smk s HIS 74 CO 0.02 -0.24 0.08 -0.51 -0.85 0.00 0.00 174.74 173.24 1smk s LEU 75 N 0.53 4.07 0.16 0.89 1.43 0.12 -0.68 118.68 125.20 1smk s LEU 75 Ca -0.07 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.12 1smk s LEU 75 Cb -0.15 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1smk s LEU 75 CO 0.04 -0.27 0.02 -0.47 0.23 0.00 0.00 176.35 175.89 1smk s TYR 76 N 1.43 2.91 0.00 0.29 6.14 -0.57 0.49 117.35 128.04 1smk s TYR 76 Ca -0.00 -0.10 0.00 0.00 0.64 0.00 0.00 57.07 57.61 1smk s TYR 76 Cb -0.19 -1.43 0.00 0.00 0.42 0.00 0.00 41.96 40.77 1smk s TYR 76 CO 0.02 0.51 0.00 -3.47 0.64 0.00 0.00 175.55 173.25 1smk n ASP 77 N -0.00 0.00 -0.02 4.32 -0.08 -0.86 -0.87 116.55 119.04 1smk n ASP 77 Ca -0.10 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.31 1smk n ASP 77 Cb 0.54 0.00 0.46 0.00 2.34 0.00 0.00 41.12 44.46 1smk n ASP 77 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1smk n VAL 78 N -0.14 0.00 -3.76 5.18 0.24 -1.26 -1.75 118.33 116.84 1smk n VAL 78 Ca 0.00 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 1smk n VAL 78 Cb 0.00 -0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.18 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 -2.93 0.09 0.00 3.34 -7.23 -1.26 -4.45 120.40 107.96 1smk s VAL 79 Ca 0.15 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1smk s VAL 79 Cb 0.18 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 36.12 1smk s VAL 79 CO 0.60 -0.41 0.00 0.59 -0.31 0.00 0.00 175.10 175.57 1smk n ASN 80 N 0.43 -2.74 -0.26 4.85 3.02 -1.26 -4.66 115.26 114.63 1smk n ASN 80 Ca -0.18 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.38 1smk n ASN 80 Cb 0.60 -1.96 0.13 0.00 -0.61 0.00 0.00 39.78 37.94 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 1.04 -0.62 5.41 0.00 -1.87 -2.44 119.26 120.78 1smk h ALA 81 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1smk h ALA 81 Cb 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1smk h ALA 81 CO 0.00 0.09 0.32 -1.35 0.00 0.00 0.00 179.25 178.30 1smk h PRO 82 N 0.75 0.86 0.07 0.00 0.11 -1.90 0.14 132.00 132.04 1smk h PRO 82 Ca 0.35 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1smk h PRO 82 Cb 0.26 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1smk h PRO 82 CO -0.21 0.65 -0.03 0.78 -0.21 0.00 0.00 178.00 178.98 1smk h GLY 83 N 0.94 -0.09 0.77 -0.55 0.00 -1.85 0.49 103.07 102.77 1smk h GLY 83 Ca 0.22 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.61 1smk h GLY 83 CO -0.03 -0.03 0.03 -2.08 0.00 0.00 0.00 176.54 174.42 1smk h VAL 84 N -0.37 0.91 -0.84 4.60 2.07 -1.27 -0.62 116.25 120.73 1smk h VAL 84 Ca -0.01 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1smk h VAL 84 Cb 0.32 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1smk h VAL 84 CO 0.02 0.02 0.53 0.74 0.02 0.00 0.00 177.57 178.89 1smk h THR 85 N 0.10 1.07 -0.32 2.57 2.02 -0.64 -0.09 112.91 117.62 1smk h THR 85 Ca 0.09 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1smk h THR 85 Cb 0.09 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 1smk h THR 85 CO -0.12 0.18 0.07 0.00 0.37 0.00 0.00 175.52 176.02 1smk h ALA 86 N 1.38 0.43 0.02 6.16 0.00 -0.34 0.17 119.26 127.08 1smk h ALA 86 Ca 0.35 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1smk h ALA 86 Cb 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1smk h ALA 86 CO -0.15 0.10 -0.19 0.22 0.00 0.00 0.00 179.25 179.24 1smk h ASP 87 N 0.36 -0.54 0.16 0.00 1.82 -0.53 -2.67 116.42 115.03 1smk h ASP 87 Ca 0.10 0.07 -0.10 0.00 -0.39 0.00 0.00 57.03 56.72 1smk h ASP 87 Cb 0.31 0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1smk h ASP 87 CO 0.00 -0.26 -0.35 0.40 -1.61 0.00 0.00 179.24 177.43 1smk h ILE 88 N -0.32 1.28 -0.79 2.25 2.04 -0.91 -3.16 117.51 117.91 1smk h ILE 88 Ca 0.05 -1.37 0.18 0.00 1.00 0.00 0.00 64.86 64.72 1smk h ILE 88 Cb 0.38 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1smk h ILE 88 CO -0.16 0.41 0.53 0.77 0.00 0.00 0.00 178.15 179.71 1smk h SER 89 N 0.23 0.29 0.86 1.72 4.64 -0.30 -1.57 113.55 119.42 1smk h SER 89 Ca 0.03 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1smk h SER 89 Cb 0.73 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1smk h SER 89 CO 0.06 0.13 -0.04 0.45 -0.87 0.00 0.00 176.83 176.56 1smk h HIS 90 N 0.30 0.00 -3.60 4.77 3.86 -1.55 -3.45 115.15 115.48 1smk h HIS 90 Ca 0.39 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 59.07 1smk h HIS 90 Cb 1.09 0.00 0.07 0.00 1.06 0.00 0.00 27.41 29.63 1smk h HIS 90 CO -0.00 0.04 0.74 -1.64 0.86 0.00 0.00 177.93 177.93 1smk s MET 91 N -3.75 4.25 -1.26 2.45 1.00 -0.59 -4.92 119.30 116.48 1smk s MET 91 Ca 0.00 2.35 -0.09 0.00 0.00 0.00 0.00 55.69 57.95 1smk s MET 91 Cb 0.10 -3.07 0.18 0.00 0.00 0.00 0.00 34.83 32.04 1smk s MET 91 CO 0.54 -0.39 1.81 -0.40 0.00 0.00 0.00 175.02 176.58 1smk n ASP 92 N 1.59 5.22 -4.41 3.03 5.75 -1.26 -4.94 116.55 121.52 1smk n ASP 92 Ca 0.04 -3.13 -0.28 0.00 -0.01 0.00 0.00 54.79 51.41 1smk n ASP 92 Cb 0.40 -1.46 -0.09 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 0.16 0.98 0.07 2.12 -4.23 -1.26 -5.08 115.64 108.40 1smk s THR 93 Ca 0.39 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.68 1smk s THR 93 Cb 0.08 -2.41 -0.12 0.00 1.34 0.00 0.00 72.50 71.39 1smk s THR 93 CO 0.01 0.00 1.60 1.23 -0.54 0.00 0.00 174.62 176.93 1smk h GLY 94 N 1.69 0.18 -4.43 3.99 0.00 -1.86 -3.45 103.07 99.19 1smk h GLY 94 Ca -0.40 -0.10 -0.58 0.00 0.00 0.00 0.00 47.33 46.25 1smk h GLY 94 CO 0.66 0.09 0.45 0.00 0.00 0.00 0.00 176.54 177.75 1smk n ALA 95 N -2.21 0.82 -2.73 3.60 0.00 -1.06 -4.88 120.51 114.04 1smk n ALA 95 Ca -0.05 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.41 1smk n ALA 95 Cb 0.12 -2.20 -0.07 0.00 0.00 0.00 0.00 19.45 17.30 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 -0.70 5.35 -0.03 0.00 1.01 0.43 -4.87 120.40 121.59 1smk s VAL 96 Ca 0.61 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 1smk s VAL 96 Cb -0.64 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1smk s VAL 96 CO 0.57 0.47 0.04 0.54 0.00 0.00 0.00 175.10 176.72 1smk s VAL 97 N -0.00 4.48 -0.03 2.92 0.11 -1.26 0.42 120.40 127.03 1smk s VAL 97 Ca 0.15 -0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1smk s VAL 97 Cb -0.13 -2.99 0.03 0.00 -1.53 0.00 0.00 36.38 31.76 1smk s VAL 97 CO 0.03 0.43 0.07 -0.13 -3.33 0.00 0.00 175.10 172.17 1smk s ARG 98 N -1.44 0.02 -0.03 1.54 0.52 0.41 -4.95 118.95 115.02 1smk s ARG 98 Ca 0.19 0.23 -0.03 0.00 -0.52 0.00 0.00 55.73 55.60 1smk s ARG 98 Cb -0.12 -0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.12 1smk s ARG 98 CO 0.09 -0.15 0.18 0.20 0.02 0.00 0.00 175.30 175.64 1smk s GLY 99 N 0.96 2.18 -0.04 -3.53 0.00 -1.26 0.12 107.32 105.74 1smk s GLY 99 Ca -0.08 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 43.92 1smk s GLY 99 CO -0.04 -0.60 -0.06 -1.36 0.00 0.00 0.00 173.10 171.04 1smk s PHE 100 N -1.27 0.81 -0.07 1.90 0.40 0.18 -4.90 117.98 115.03 1smk s PHE 100 Ca 0.25 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.40 1smk s PHE 100 Cb -0.13 -0.67 -0.00 0.00 0.51 0.00 0.00 43.02 42.73 1smk s PHE 100 CO 0.16 -0.17 -0.22 -1.17 0.70 0.00 0.00 175.22 174.53 1smk s LEU 101 N 0.70 2.00 0.00 -0.37 2.96 -1.26 -2.02 118.68 120.69 1smk s LEU 101 Ca -0.10 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 1smk s LEU 101 Cb -0.13 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.32 1smk s LEU 101 CO 0.01 0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 1smk n GLY 102 N 3.28 -2.68 0.42 7.98 0.00 -0.71 -4.06 105.19 109.41 1smk n GLY 102 Ca -0.19 -1.37 0.23 0.00 0.00 0.00 0.00 46.02 44.69 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 0.33 0.00 1.61 5.75 -1.95 0.29 115.11 121.15 1smk h GLN 103 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1smk h GLN 103 Cb 0.00 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.47 1smk h GLN 103 CO 0.00 0.22 0.00 0.00 -2.65 0.00 0.00 178.83 176.40 1smk n GLN 104 N -4.52 0.20 -0.19 1.69 0.00 -1.26 -2.58 117.38 110.72 1smk n GLN 104 Ca 0.22 0.39 0.07 0.00 0.00 0.00 0.00 57.00 57.68 1smk n GLN 104 Cb 0.84 -1.85 0.17 0.00 0.00 0.00 0.00 30.24 29.40 1smk n GLN 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1smk n GLN 105 N -2.22 2.47 -0.18 2.61 6.02 0.08 -4.54 117.38 121.62 1smk n GLN 105 Ca 0.03 -2.06 -0.09 0.00 -0.01 0.00 0.00 57.00 54.87 1smk n GLN 105 Cb 0.26 -1.34 0.05 0.00 1.02 0.00 0.00 30.24 30.23 1smk n GLN 105 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1smk h LEU 106 N 2.72 0.99 -0.21 1.08 5.85 -1.42 -2.59 115.31 121.72 1smk h LEU 106 Ca 0.00 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1smk h LEU 106 Cb 0.77 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1smk h LEU 106 CO 0.00 1.07 0.11 -0.08 -0.34 0.00 0.00 178.44 179.21 1smk h GLU 107 N 0.90 0.30 -0.82 1.25 4.81 -1.80 -0.58 114.58 118.64 1smk h GLU 107 Ca 0.15 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1smk h GLU 107 Cb 0.61 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1smk h GLU 107 CO 0.04 0.29 0.54 0.00 -0.73 0.00 0.00 179.01 179.15 1smk h ALA 108 N 0.99 1.59 -0.13 2.92 0.00 -1.83 -0.31 119.26 122.50 1smk h ALA 108 Ca 0.07 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1smk h ALA 108 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1smk h ALA 108 CO -0.01 0.29 -0.73 0.00 0.00 0.00 0.00 179.25 178.79 1smk h ALA 109 N 1.55 0.46 0.04 0.00 0.00 -1.06 -3.33 119.26 116.93 1smk h ALA 109 Ca 0.35 -0.59 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1smk h ALA 109 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1smk h ALA 109 CO -0.12 0.72 -1.06 -0.07 0.00 0.00 0.00 179.25 178.71 1smk h LEU 110 N 0.43 0.16 -9.29 0.00 3.38 -0.49 -3.46 115.31 106.05 1smk h LEU 110 Ca -0.04 -0.16 -0.63 0.00 0.09 0.00 0.00 57.88 57.14 1smk h LEU 110 Cb 1.33 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 42.06 1smk h LEU 110 CO 0.14 1.11 1.00 0.41 0.09 0.00 0.00 178.44 181.19 1smk n THR 111 N -3.44 0.43 -1.08 0.22 -1.04 -0.18 -2.44 114.28 106.74 1smk n THR 111 Ca -0.03 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.05 61.88 1smk n THR 111 Cb 0.95 -1.68 -0.01 0.00 -1.82 0.00 0.00 70.33 67.77 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 4.15 0.60 3.87 3.41 0.00 -1.26 -5.04 105.19 110.93 1smk n GLY 112 Ca 0.22 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 1smk n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1smk s MET 113 N -1.85 3.77 -0.19 1.61 1.00 -1.02 -4.78 119.30 117.84 1smk s MET 113 Ca 0.00 0.51 0.01 0.00 0.00 0.00 0.00 55.69 56.22 1smk s MET 113 Cb 0.00 -2.34 -0.12 0.00 0.00 0.00 0.00 34.83 32.37 1smk s MET 113 CO 0.00 -0.11 -0.17 -0.25 0.00 0.00 0.00 175.02 174.49 1smk n ASP 114 N -1.51 2.53 -4.04 3.03 8.00 0.25 -4.48 116.55 120.33 1smk n ASP 114 Ca 0.03 -0.10 -0.24 0.00 0.71 0.00 0.00 54.79 55.19 1smk n ASP 114 Cb 0.54 -0.30 -0.16 0.00 -0.02 0.00 0.00 41.12 41.18 1smk n ASP 114 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1smk s LEU 115 N -6.10 1.70 -0.22 0.64 2.96 -0.84 0.97 118.68 117.80 1smk s LEU 115 Ca -0.25 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 1smk s LEU 115 Cb 0.07 -0.80 0.04 0.00 0.50 0.00 0.00 46.19 45.99 1smk s LEU 115 CO 0.43 0.06 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.73 1smk s ILE 116 N 0.50 2.17 -0.29 6.68 1.01 0.12 -1.29 121.20 130.10 1smk s ILE 116 Ca -0.11 -1.22 -0.13 0.00 0.00 0.00 0.00 60.65 59.19 1smk s ILE 116 Cb -0.14 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1smk s ILE 116 CO 0.03 0.29 0.26 -0.63 0.00 0.00 0.00 174.94 174.88 1smk s ILE 117 N 1.22 5.26 -0.79 2.92 1.01 -0.03 0.07 121.20 130.86 1smk s ILE 117 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1smk s ILE 117 Cb -0.16 -3.62 0.19 0.00 0.01 0.00 0.00 42.46 38.88 1smk s ILE 117 CO -0.09 0.16 0.64 -0.69 0.00 0.00 0.00 174.94 174.95 1smk s VAL 118 N 1.85 3.82 -0.98 2.92 1.01 0.20 -0.82 120.40 128.40 1smk s VAL 118 Ca 0.09 -3.83 0.27 0.00 0.00 0.00 0.00 61.98 58.51 1smk s VAL 118 Cb -0.16 -3.42 0.10 0.00 0.00 0.00 0.00 36.38 32.90 1smk s VAL 118 CO 0.11 -1.03 1.61 -0.81 0.00 0.00 0.00 175.10 174.99 1smk n PRO 119 N 2.43 0.01 -1.09 2.72 -0.04 -1.16 -1.14 135.00 136.72 1smk n PRO 119 Ca 0.18 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.30 1smk n PRO 119 Cb 0.36 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.52 -2.79 0.00 0.55 0.00 -0.82 -4.50 120.51 111.43 1smk n ALA 120 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1smk n ALA 120 Cb 0.34 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 2.06 3.91 3.81 0.00 0.00 -1.26 -4.38 105.19 109.34 1smk n GLY 121 Ca 0.08 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 1smk n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smk s VAL 122 N -2.00 4.50 0.61 1.61 -7.23 -1.26 -5.05 120.40 111.57 1smk s VAL 122 Ca 0.00 -1.18 -0.10 0.00 -1.81 0.00 0.00 61.98 58.89 1smk s VAL 122 Cb 0.00 -3.34 0.14 0.00 0.56 0.00 0.00 36.38 33.74 1smk s VAL 122 CO 0.00 -0.19 0.78 -0.81 -0.31 0.00 0.00 175.10 174.57 1smk n PRO 123 N -0.63 -0.97 0.00 4.82 -0.04 -1.26 -4.98 135.00 131.94 1smk n PRO 123 Ca -0.08 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1smk n PRO 123 Cb 0.56 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 1smk n PRO 123 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1smk n ARG 124 N -2.79 0.00 -1.13 0.54 1.74 -1.26 -5.02 116.66 108.74 1smk n ARG 124 Ca 0.10 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1smk n ARG 124 Cb 0.35 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1smk n ARG 124 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1smk n LYS 125 N -2.02 -2.51 -2.33 5.56 4.76 -1.26 -4.60 118.16 115.76 1smk n LYS 125 Ca 0.00 2.00 -0.42 0.00 -2.87 0.00 0.00 58.31 57.02 1smk n LYS 125 Cb 0.00 -1.93 -0.03 0.00 -1.84 0.00 0.00 35.03 31.23 1smk n LYS 125 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1smk s PRO 126 N -2.20 4.38 0.00 1.97 0.04 -1.26 -2.26 135.00 135.67 1smk s PRO 126 Ca 0.00 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1smk s PRO 126 Cb 0.00 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1smk s PRO 126 CO 0.00 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1smk n GLY 127 N 3.35 2.79 0.17 0.56 0.00 -1.26 -4.82 105.19 105.98 1smk n GLY 127 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1smk n GLY 127 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1smk n MET 128 N -2.00 0.53 -2.21 1.61 0.00 -0.96 -4.88 117.12 109.20 1smk n MET 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1smk n MET 128 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 33.22 32.13 1smk n MET 128 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1smk n THR 129 N -0.24 -1.13 -1.16 1.12 5.66 -1.26 -4.01 114.28 113.25 1smk n THR 129 Ca 0.00 0.23 -0.14 0.00 -3.05 0.00 0.00 64.05 61.10 1smk n THR 129 Cb 0.05 -1.89 -0.07 0.00 -1.55 0.00 0.00 70.33 66.86 1smk n THR 129 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1smk n ARG 130 N 1.32 0.04 0.02 1.09 1.74 -1.26 -0.44 116.66 119.17 1smk n ARG 130 Ca 0.00 -0.90 0.00 0.00 -0.77 0.00 0.00 57.85 56.18 1smk n ARG 130 Cb 0.23 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 1smk n ARG 130 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1smk n ASP 131 N 11.76 -0.35 0.29 0.55 -0.08 -1.26 -4.88 116.55 122.58 1smk n ASP 131 Ca 0.25 0.28 0.16 0.00 -1.51 0.00 0.00 54.79 53.97 1smk n ASP 131 Cb 0.44 0.56 0.95 0.00 2.34 0.00 0.00 41.12 45.42 1smk n ASP 131 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1smk h ASP 132 N 0.00 0.00 0.31 1.67 5.19 -0.93 0.49 116.42 123.16 1smk h ASP 132 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1smk h ASP 132 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1smk h ASP 132 CO 0.00 0.00 -0.11 0.17 -3.12 0.00 0.00 179.24 176.18 1smk h LEU 133 N 0.00 0.00 -0.38 1.55 8.10 -1.69 -1.54 115.31 121.34 1smk h LEU 133 Ca 0.01 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.96 1smk h LEU 133 Cb 0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.27 1smk h LEU 133 CO -0.00 0.11 0.09 0.15 -4.11 0.00 0.00 178.44 174.68 1smk h PHE 134 N 0.00 0.64 -0.80 0.17 3.57 -1.24 -1.40 116.94 117.88 1smk h PHE 134 Ca -0.00 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1smk h PHE 134 Cb 0.30 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1smk h PHE 134 CO 0.00 0.63 0.47 0.87 -2.23 0.00 0.00 178.31 178.05 1smk h LYS 135 N 0.46 1.10 0.61 1.11 1.57 -1.41 0.16 116.57 120.18 1smk h LYS 135 Ca 0.12 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1smk h LYS 135 Cb 0.31 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1smk h LYS 135 CO 0.00 0.77 -0.29 0.82 -0.57 0.00 0.00 179.45 180.18 1smk h ILE 136 N 1.11 0.28 -0.94 1.86 2.04 -1.14 -1.84 117.51 118.87 1smk h ILE 136 Ca 0.29 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1smk h ILE 136 Cb -0.03 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 1smk h ILE 136 CO -0.05 0.03 0.60 0.78 0.00 0.00 0.00 178.15 179.51 1smk h ASN 137 N -1.03 1.10 -0.72 1.72 4.21 -1.13 0.19 115.58 119.90 1smk h ASN 137 Ca -0.08 -0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.40 1smk h ASN 137 Cb 0.68 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.57 1smk h ASN 137 CO 0.14 0.81 0.47 0.00 -1.29 0.00 0.00 177.43 177.56 1smk h ALA 138 N 1.33 0.93 -0.35 -0.83 0.00 -0.69 0.18 119.26 119.82 1smk h ALA 138 Ca 0.34 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1smk h ALA 138 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1smk h ALA 138 CO -0.07 0.31 -0.26 0.78 0.00 0.00 0.00 179.25 180.01 1smk h GLY 139 N 0.95 0.78 1.27 0.00 0.00 -0.66 0.15 103.07 105.56 1smk h GLY 139 Ca 0.27 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1smk h GLY 139 CO -0.07 0.62 -0.01 -2.22 0.00 0.00 0.00 176.54 174.86 1smk h ILE 140 N 0.62 1.25 -0.22 2.60 2.04 -0.27 -2.09 117.51 121.45 1smk h ILE 140 Ca 0.08 -1.07 -0.09 0.00 1.00 0.00 0.00 64.86 64.78 1smk h ILE 140 Cb 0.76 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1smk h ILE 140 CO 0.06 0.38 -0.20 0.58 0.00 0.00 0.00 178.15 178.97 1smk h VAL 141 N 0.82 1.32 0.01 1.67 2.07 -0.29 -2.81 116.25 119.04 1smk h VAL 141 Ca 0.15 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1smk h VAL 141 Cb 0.50 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1smk h VAL 141 CO 0.02 0.42 -0.40 0.50 0.02 0.00 0.00 177.57 178.13 1smk h LYS 142 N 0.21 -0.54 -0.42 1.57 3.64 -0.42 -0.69 116.57 119.92 1smk h LYS 142 Ca 0.04 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1smk h LYS 142 Cb 0.74 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1smk h LYS 142 CO 0.05 -0.36 -0.01 1.79 -2.27 0.00 0.00 179.45 178.64 1smk h THR 143 N -0.56 1.23 -0.74 1.00 1.35 -1.46 -2.48 112.91 111.25 1smk h THR 143 Ca 0.05 -0.95 -0.06 0.00 -0.55 0.00 0.00 66.41 64.90 1smk h THR 143 Cb 0.64 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 67.96 1smk h THR 143 CO -0.30 0.33 0.23 -0.07 -0.25 0.00 0.00 175.52 175.46 1smk h LEU 144 N 0.64 1.07 -0.49 3.87 3.38 -1.18 -2.05 115.31 120.55 1smk h LEU 144 Ca 0.13 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1smk h LEU 144 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1smk h LEU 144 CO 0.02 0.99 -0.08 0.00 0.09 0.00 0.00 178.44 179.46 1smk h GLU 146 N 0.78 0.77 -0.81 0.00 5.08 -1.20 0.76 114.58 119.95 1smk h GLU 146 Ca 0.13 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1smk h GLU 146 Cb 0.63 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1smk h GLU 146 CO 0.04 0.51 0.46 0.78 -1.00 0.00 0.00 179.01 179.80 1smk h GLY 147 N 0.79 1.20 0.79 -3.84 0.00 -0.81 -0.22 103.07 100.97 1smk h GLY 147 Ca 0.42 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1smk h GLY 147 CO -0.27 0.51 0.01 -2.22 0.00 0.00 0.00 176.54 174.57 1smk h ILE 148 N 1.12 1.22 -0.55 2.60 2.04 0.57 0.11 117.51 124.62 1smk h ILE 148 Ca 0.29 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 65.53 1smk h ILE 148 Cb 0.01 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1smk h ILE 148 CO -0.05 0.20 0.19 0.00 0.00 0.00 0.00 178.15 178.49 1smk h ALA 149 N 0.78 0.69 0.51 1.87 0.00 0.63 0.35 119.26 124.08 1smk h ALA 149 Ca 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1smk h ALA 149 Cb 0.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1smk h ALA 149 CO 0.00 -0.22 -0.24 -0.22 0.00 0.00 0.00 179.25 178.57 1smk h LYS 150 N 0.37 -0.66 0.00 0.00 3.64 -0.91 -3.29 116.57 115.72 1smk h LYS 150 Ca 0.27 0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.57 1smk h LYS 150 Cb 0.32 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1smk h LYS 150 CO -0.28 -0.44 -0.61 0.00 -2.27 0.00 0.00 179.45 175.84 1smk n PRO 153 N 0.59 0.02 -0.11 0.00 -0.04 -0.65 -1.63 135.00 133.18 1smk n PRO 153 Ca 0.10 0.37 0.06 0.00 -0.04 0.00 0.00 63.50 63.98 1smk n PRO 153 Cb 0.68 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.40 1.96 -2.23 0.54 1.74 -1.26 -4.90 116.66 111.10 1smk n ARG 154 Ca 0.01 -1.72 -0.32 0.00 -0.77 0.00 0.00 57.85 55.05 1smk n ARG 154 Cb 0.02 -1.26 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 1smk n ARG 154 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1smk s ALA 155 N -0.98 3.00 -0.01 7.54 0.00 -0.64 -5.00 121.76 125.66 1smk s ALA 155 Ca 0.20 0.18 -0.26 0.00 0.00 0.00 0.00 51.96 52.07 1smk s ALA 155 Cb 0.11 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1smk s ALA 155 CO 0.16 -0.43 0.83 0.42 0.00 0.00 0.00 175.76 176.73 1smk s ILE 156 N -2.69 4.90 -0.18 0.00 -1.09 0.27 -4.88 121.20 117.53 1smk s ILE 156 Ca 0.59 1.74 -0.06 0.00 -2.23 0.00 0.00 60.65 60.69 1smk s ILE 156 Cb -0.11 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1smk s ILE 156 CO 0.36 0.24 0.02 -0.69 -1.23 0.00 0.00 174.94 173.64 1smk s VAL 157 N 0.69 4.28 -0.62 2.92 1.01 0.15 0.13 120.40 128.96 1smk s VAL 157 Ca 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1smk s VAL 157 Cb -0.20 -2.92 0.16 0.00 0.00 0.00 0.00 36.38 33.42 1smk s VAL 157 CO 0.23 0.45 0.42 0.20 0.00 0.00 0.00 175.10 176.40 1smk s ASN 158 N 0.63 5.05 -0.17 3.32 0.02 0.11 -0.93 114.94 122.97 1smk s ASN 158 Ca 0.01 -2.97 -0.29 0.00 -1.02 0.00 0.00 52.86 48.58 1smk s ASN 158 Cb -0.14 -1.80 -0.00 0.00 0.02 0.00 0.00 41.25 39.33 1smk s ASN 158 CO 0.02 -0.32 1.05 -0.22 0.02 0.00 0.00 177.10 177.65 1smk s LEU 159 N -0.24 4.17 -0.02 0.60 2.96 -0.17 -0.62 118.68 125.36 1smk s LEU 159 Ca 0.18 1.48 0.07 0.00 -0.22 0.00 0.00 54.13 55.64 1smk s LEU 159 Cb -0.21 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.83 1smk s LEU 159 CO -0.03 -0.59 0.14 -0.38 -1.32 0.00 0.00 176.35 174.17 1smk n ILE 160 N 5.00 0.09 -1.72 6.68 5.41 -0.30 -0.48 119.36 134.04 1smk n ILE 160 Ca 0.11 -0.20 -0.64 0.00 1.00 0.00 0.00 62.75 63.02 1smk n ILE 160 Cb 0.47 0.11 -0.09 0.00 -0.71 0.00 0.00 39.64 39.42 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 -1.86 1.57 -4.76 4.38 7.64 -0.82 -4.65 113.62 115.12 1smk n SER 161 Ca -0.03 1.15 -0.39 0.00 1.01 0.00 0.00 58.87 60.60 1smk n SER 161 Cb 0.30 -0.98 -0.05 0.00 -1.01 0.00 0.00 64.21 62.47 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 3.01 7.37 -0.22 6.43 3.84 -1.26 -2.70 114.94 131.40 1smk s ASN 162 Ca 1.02 2.06 -0.20 0.00 0.21 0.00 0.00 52.86 55.94 1smk s ASN 162 Cb -1.33 -2.61 -0.02 0.00 -0.55 0.00 0.00 41.25 36.74 1smk s ASN 162 CO 0.75 -0.06 0.62 -2.16 -2.79 0.00 0.00 177.10 173.46 1smk s PRO 163 N -1.56 4.17 0.36 0.43 0.04 -1.26 -4.83 135.00 132.35 1smk s PRO 163 Ca 0.46 0.56 0.14 0.00 0.04 0.00 0.00 61.00 62.20 1smk s PRO 163 Cb -0.27 -3.61 0.98 0.00 0.04 0.00 0.00 34.50 31.65 1smk s PRO 163 CO 0.33 -0.30 1.77 0.28 0.04 0.00 0.00 177.00 179.12 1smk h VAL 164 N 5.27 0.58 -0.11 -0.36 2.07 -1.78 0.57 116.25 122.50 1smk h VAL 164 Ca -0.30 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1smk h VAL 164 Cb 1.14 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1smk h VAL 164 CO 0.77 0.09 0.16 0.78 0.02 0.00 0.00 177.57 179.39 1smk h ASN 165 N 0.51 0.00 0.00 0.57 2.35 -1.92 -2.26 115.58 114.84 1smk h ASN 165 Ca 0.59 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 56.16 1smk h ASN 165 Cb 1.28 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.62 1smk h ASN 165 CO -0.34 0.00 -1.68 -1.20 -1.65 0.00 0.00 177.43 172.56 1smk n SER 166 N -3.57 2.81 0.20 5.81 7.64 0.02 -3.99 113.62 122.53 1smk n SER 166 Ca -0.00 -0.03 0.04 0.00 1.01 0.00 0.00 58.87 59.89 1smk n SER 166 Cb 0.26 0.31 0.41 0.00 -1.01 0.00 0.00 64.21 64.18 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 1.12 0.02 0.44 1.35 -0.94 -2.11 112.91 112.79 1smk h THR 167 Ca -0.27 -1.18 -0.00 0.00 -0.55 0.00 0.00 66.41 64.41 1smk h THR 167 Cb 1.52 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 1smk h THR 167 CO -0.01 0.32 -0.01 0.58 -0.25 0.00 0.00 175.52 176.15 1smk h VAL 168 N 0.00 1.33 -0.99 6.82 2.07 -1.66 -1.68 116.25 122.14 1smk h VAL 168 Ca -0.00 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.50 1smk h VAL 168 Cb 0.63 2.07 -0.07 0.00 -1.52 0.00 0.00 31.29 32.40 1smk h VAL 168 CO 0.04 0.28 0.63 -0.65 0.02 0.00 0.00 177.57 177.90 1smk h PRO 169 N -0.50 1.08 -0.41 1.57 0.11 -1.77 -0.19 132.00 131.89 1smk h PRO 169 Ca -0.00 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 66.10 1smk h PRO 169 Cb 0.48 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.30 1smk h PRO 169 CO 0.00 0.72 0.13 0.82 -0.21 0.00 0.00 178.00 179.46 1smk h ILE 170 N 1.12 0.85 -0.60 4.15 2.04 -1.25 0.14 117.51 123.95 1smk h ILE 170 Ca 0.44 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 66.21 1smk h ILE 170 Cb 0.25 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1smk h ILE 170 CO -0.20 0.05 0.39 0.00 0.00 0.00 0.00 178.15 178.40 1smk h ALA 171 N 1.28 0.76 -0.24 1.87 0.00 -0.25 0.42 119.26 123.10 1smk h ALA 171 Ca 0.19 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1smk h ALA 171 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1smk h ALA 171 CO -0.22 0.20 0.08 0.00 0.00 0.00 0.00 179.25 179.31 1smk h ALA 172 N 1.22 0.27 -0.31 0.00 0.00 -0.13 0.19 119.26 120.50 1smk h ALA 172 Ca 0.22 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1smk h ALA 172 Cb -0.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1smk h ALA 172 CO -0.05 -0.33 0.12 0.93 0.00 0.00 0.00 179.25 179.92 1smk h GLU 173 N 0.19 0.26 -0.75 0.00 4.39 -0.26 0.60 114.58 119.00 1smk h GLU 173 Ca 0.10 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.82 1smk h GLU 173 Cb 0.07 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1smk h GLU 173 CO -0.11 0.17 0.50 0.28 -1.16 0.00 0.00 179.01 178.69 1smk h VAL 174 N 0.26 1.13 -0.02 3.13 2.07 -0.23 -0.28 116.25 122.30 1smk h VAL 174 Ca 0.13 -0.32 -0.18 0.00 0.82 0.00 0.00 66.70 67.15 1smk h VAL 174 Cb 0.09 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1smk h VAL 174 CO -0.12 0.17 -0.80 -0.26 0.02 0.00 0.00 177.57 176.58 1smk h PHE 175 N 0.94 0.33 0.38 1.57 0.04 0.08 -2.59 116.94 117.68 1smk h PHE 175 Ca 0.29 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 1smk h PHE 175 Cb 0.02 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1smk h PHE 175 CO -0.00 0.93 -0.18 0.87 -0.60 0.00 0.00 178.31 179.33 1smk h LYS 176 N 0.14 -0.50 -0.92 1.51 1.57 -0.04 0.11 116.57 118.45 1smk h LYS 176 Ca -0.03 0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.00 1smk h LYS 176 Cb 1.39 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.74 1smk h LYS 176 CO 0.12 -0.25 0.61 -0.22 -0.57 0.00 0.00 179.45 179.15 1smk h LYS 177 N -0.66 0.36 -0.13 3.15 3.64 -1.10 0.82 116.57 122.66 1smk h LYS 177 Ca -0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1smk h LYS 177 Cb 0.48 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1smk h LYS 177 CO 0.09 0.24 0.00 0.00 -2.27 0.00 0.00 179.45 177.51 1smk n ALA 178 N -2.53 2.52 -3.45 5.00 0.00 -0.98 -4.95 120.51 116.12 1smk n ALA 178 Ca 0.20 -0.57 -0.25 0.00 0.00 0.00 0.00 53.44 52.82 1smk n ALA 178 Cb 0.74 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 19.17 1smk n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 179 N 1.22 -0.51 0.00 0.00 0.00 0.29 -4.85 105.19 101.32 1smk n GLY 179 Ca 0.17 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.25 -1.74 2.61 -2.24 0.17 -5.02 114.28 103.77 1smk n THR 180 Ca -0.03 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 1smk n THR 180 Cb 0.57 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 1smk n THR 180 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1smk s TYR 181 N -0.25 2.51 -0.26 4.78 5.04 -1.01 -4.92 117.35 123.24 1smk s TYR 181 Ca 0.00 0.17 -0.04 0.00 -2.44 0.00 0.00 57.07 54.76 1smk s TYR 181 Cb 0.00 -4.14 0.09 0.00 0.35 0.00 0.00 41.96 38.26 1smk s TYR 181 CO 0.00 -4.53 0.12 0.34 -1.34 0.00 0.00 175.55 170.14 1smk s ASP 182 N 2.00 3.32 0.35 4.32 -1.08 -1.26 -4.98 116.67 119.33 1smk s ASP 182 Ca 0.78 -1.17 0.17 0.00 -0.52 0.00 0.00 52.55 51.81 1smk s ASP 182 Cb -0.47 -0.37 0.93 0.00 -1.46 0.00 0.00 42.92 41.55 1smk s ASP 182 CO 0.34 -0.42 1.46 1.55 0.52 0.00 0.00 175.17 178.62 1smk h PRO 183 N 8.38 0.00 -0.00 4.34 0.13 -1.95 -0.77 132.00 142.13 1smk h PRO 183 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1smk h PRO 183 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1smk h PRO 183 CO 0.41 0.00 -0.22 1.63 -0.23 0.00 0.00 178.00 179.59 1smk n LYS 184 N -2.18 0.43 -0.06 0.86 5.02 -1.26 -3.87 118.16 117.09 1smk n LYS 184 Ca -0.01 -0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.13 1smk n LYS 184 Cb 0.24 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.13 1.81 -3.92 1.97 1.74 -0.30 -0.62 116.66 116.22 1smk n ARG 185 Ca 0.11 -1.48 -0.35 0.00 -0.77 0.00 0.00 57.85 55.36 1smk n ARG 185 Cb 0.31 -1.15 -0.14 0.00 -1.02 0.00 0.00 32.46 30.47 1smk n ARG 185 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1smk s LEU 186 N -0.83 3.60 -0.10 0.55 2.96 -1.25 0.32 118.68 123.93 1smk s LEU 186 Ca 0.11 -1.06 0.00 0.00 -0.22 0.00 0.00 54.13 52.97 1smk s LEU 186 Cb 0.06 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 45.07 1smk s LEU 186 CO 0.09 -0.20 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.07 1smk s LEU 187 N 1.30 1.30 0.02 -0.68 1.02 -0.11 -4.56 118.68 116.98 1smk s LEU 187 Ca -0.02 -0.31 -0.28 0.00 0.02 0.00 0.00 54.13 53.54 1smk s LEU 187 Cb -0.18 -0.84 -0.04 0.00 0.02 0.00 0.00 46.19 45.14 1smk s LEU 187 CO -0.02 -0.08 0.89 -0.83 0.02 0.00 0.00 176.35 176.32 1smk s GLY 188 N 1.47 2.86 -0.77 -3.19 0.00 -0.05 -1.00 107.32 106.65 1smk s GLY 188 Ca 0.01 0.43 -0.25 0.00 0.00 0.00 0.00 44.72 44.91 1smk s GLY 188 CO -0.06 1.45 1.23 0.14 0.00 0.00 0.00 173.10 175.86 1smk s VAL 189 N 0.57 3.91 -1.86 1.40 1.01 0.36 -1.76 120.40 124.03 1smk s VAL 189 Ca 0.46 0.01 0.21 0.00 0.00 0.00 0.00 61.98 62.65 1smk s VAL 189 Cb -0.21 -4.89 0.55 0.00 0.00 0.00 0.00 36.38 31.84 1smk s VAL 189 CO 0.26 -1.77 1.46 0.35 0.00 0.00 0.00 175.10 175.40 1smk n THR 190 N 6.32 0.91 -0.31 3.92 -2.24 -1.26 -4.60 114.28 117.03 1smk n THR 190 Ca 0.07 -0.96 0.24 0.00 -2.27 0.00 0.00 64.05 61.13 1smk n THR 190 Cb 0.49 0.58 0.55 0.00 -2.10 0.00 0.00 70.33 69.85 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 3.92 0.32 -0.55 -0.78 -1.53 -1.86 -1.52 114.93 112.93 1smk h MET 191 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1smk h MET 191 Cb 0.94 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.89 1smk h MET 191 CO 0.00 0.21 0.34 1.25 0.14 0.00 0.00 176.91 178.85 1smk h LEU 192 N 0.33 0.64 -0.25 3.39 5.85 -1.87 0.91 115.31 124.32 1smk h LEU 192 Ca 0.57 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.24 1smk h LEU 192 Cb 1.56 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1smk h LEU 192 CO -0.23 0.49 0.10 0.44 -0.34 0.00 0.00 178.44 178.90 1smk h ASP 193 N 0.75 0.35 -0.20 1.25 3.32 -1.65 0.20 116.42 120.44 1smk h ASP 193 Ca 0.20 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1smk h ASP 193 Cb -0.05 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1smk h ASP 193 CO -0.04 0.42 0.13 0.58 -1.72 0.00 0.00 179.24 178.61 1smk h VAL 194 N 0.26 1.04 -0.24 -1.35 2.07 -1.45 0.52 116.25 117.10 1smk h VAL 194 Ca 0.08 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1smk h VAL 194 Cb 0.18 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1smk h VAL 194 CO -0.01 0.05 -0.08 0.58 0.02 0.00 0.00 177.57 178.13 1smk h VAL 195 N 0.26 0.72 -0.25 2.57 2.07 -0.59 0.19 116.25 121.23 1smk h VAL 195 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1smk h VAL 195 Cb -0.02 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1smk h VAL 195 CO -0.03 0.00 0.16 0.03 0.02 0.00 0.00 177.57 177.76 1smk h ARG 196 N -0.03 0.32 -0.07 1.57 3.08 -0.14 -1.36 114.38 117.76 1smk h ARG 196 Ca 0.12 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.18 1smk h ARG 196 Cb 0.21 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1smk h ARG 196 CO -0.26 0.21 -0.15 0.00 -1.07 0.00 0.00 179.97 178.70 1smk h ALA 197 N 1.09 -0.12 -0.40 0.04 0.00 0.70 0.25 119.26 120.83 1smk h ALA 197 Ca 0.09 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1smk h ALA 197 Cb -0.04 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1smk h ALA 197 CO -0.02 -0.62 -0.07 -0.91 0.00 0.00 0.00 179.25 177.62 1smk h ASN 198 N -0.22 -0.32 0.45 0.00 2.35 -0.34 0.28 115.58 117.79 1smk h ASN 198 Ca 0.07 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1smk h ASN 198 Cb 0.32 0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1smk h ASN 198 CO -0.20 -0.11 -0.22 0.74 -1.65 0.00 0.00 177.43 176.00 1smk h THR 199 N 0.02 0.56 -0.46 2.81 2.02 -0.51 0.73 112.91 118.08 1smk h THR 199 Ca 0.19 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 1smk h THR 199 Cb 0.29 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1smk h THR 199 CO -0.39 0.01 0.11 -0.26 0.37 0.00 0.00 175.52 175.36 1smk h PHE 200 N -0.63 0.70 -0.29 3.16 0.04 -0.16 -1.43 116.94 118.32 1smk h PHE 200 Ca -0.06 -0.05 -0.14 0.00 2.80 0.00 0.00 57.97 60.51 1smk h PHE 200 Cb 0.48 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 1smk h PHE 200 CO -0.04 0.60 -0.38 0.28 -0.60 0.00 0.00 178.31 178.18 1smk h VAL 201 N 0.67 1.30 -0.85 -0.55 2.07 -0.36 -2.98 116.25 115.54 1smk h VAL 201 Ca 0.15 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 1smk h VAL 201 Cb 0.25 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1smk h VAL 201 CO -0.00 0.50 0.47 0.00 0.02 0.00 0.00 177.57 178.56 1smk h ALA 202 N 0.69 1.22 -0.51 1.67 0.00 -0.41 -1.30 119.26 120.62 1smk h ALA 202 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1smk h ALA 202 Cb 0.97 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1smk h ALA 202 CO 0.09 0.63 0.28 0.93 0.00 0.00 0.00 179.25 181.18 1smk h GLU 203 N 1.19 0.70 0.00 0.00 5.08 -1.21 0.11 114.58 120.46 1smk h GLU 203 Ca 0.30 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1smk h GLU 203 Cb 0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1smk h GLU 203 CO -0.05 0.52 -0.64 0.28 -1.00 0.00 0.00 179.01 178.12 1smk h VAL 204 N 0.71 1.26 -0.01 3.13 2.07 -1.16 -3.22 116.25 119.02 1smk h VAL 204 Ca 0.18 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1smk h VAL 204 Cb 0.03 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1smk h VAL 204 CO -0.03 0.63 -0.26 0.18 0.02 0.00 0.00 177.57 178.11 1smk n LEU 205 N -3.48 1.70 -1.97 2.57 4.77 -0.58 -4.94 117.00 115.06 1smk n LEU 205 Ca 0.00 -0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 55.27 1smk n LEU 205 Cb 0.71 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1smk n LEU 205 CO 0.42 0.31 -0.03 0.61 -1.33 0.00 0.00 177.39 177.37 1smk n GLY 206 N 1.34 -0.12 3.55 -0.72 0.00 0.25 -5.01 105.19 104.49 1smk n GLY 206 Ca 0.12 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.43 2.87 -0.16 0.99 1.43 -0.38 -5.04 118.68 113.96 1smk s LEU 207 Ca 0.17 -0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 52.15 1smk s LEU 207 Cb -0.07 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 1smk s LEU 207 CO 0.21 0.03 1.20 -0.62 0.23 0.00 0.00 176.35 177.40 1smk s ASP 208 N -3.48 7.00 0.59 2.29 -1.08 -1.26 -4.42 116.67 116.32 1smk s ASP 208 Ca 0.30 1.65 0.18 0.00 -0.52 0.00 0.00 52.55 54.16 1smk s ASP 208 Cb -0.06 -2.54 0.98 0.00 -1.46 0.00 0.00 42.92 39.84 1smk s ASP 208 CO 0.17 -0.70 1.52 1.55 0.52 0.00 0.00 175.17 178.23 1smk h PRO 209 N 7.89 0.00 0.00 4.34 0.13 -1.90 -0.20 132.00 142.26 1smk h PRO 209 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1smk h PRO 209 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1smk h PRO 209 CO 0.95 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.61 1smk h ARG 210 N 0.00 0.00 -0.45 0.86 3.08 -1.93 -3.04 114.38 112.90 1smk h ARG 210 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1smk h ARG 210 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1smk h ARG 210 CO 0.00 0.11 0.00 -0.25 -1.07 0.00 0.00 179.97 178.76 1smk n ASP 211 N -3.23 3.58 -4.61 7.04 8.00 -0.09 -4.93 116.55 122.32 1smk n ASP 211 Ca 0.01 -2.00 -0.34 0.00 0.71 0.00 0.00 54.79 53.17 1smk n ASP 211 Cb 0.40 -0.29 -0.11 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.40 4.02 -0.13 2.53 1.01 -1.15 -3.99 120.40 121.29 1smk s VAL 212 Ca 0.41 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1smk s VAL 212 Cb 0.23 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1smk s VAL 212 CO 0.32 0.58 -0.05 -0.62 0.00 0.00 0.00 175.10 175.33 1smk s ASP 213 N -0.60 2.32 -0.28 3.32 2.15 0.14 -4.83 116.67 118.88 1smk s ASP 213 Ca 0.09 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.67 1smk s ASP 213 Cb -0.12 -0.77 0.05 0.00 -0.30 0.00 0.00 42.92 41.78 1smk s ASP 213 CO 0.02 -0.16 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.12 1smk s VAL 214 N 1.74 2.66 0.14 1.11 1.01 -1.26 -1.59 120.40 124.21 1smk s VAL 214 Ca 0.03 -1.49 -0.31 0.00 0.00 0.00 0.00 61.98 60.21 1smk s VAL 214 Cb -0.14 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.62 1smk s VAL 214 CO -0.08 -0.08 1.36 -2.16 0.00 0.00 0.00 175.10 174.15 1smk s PRO 215 N 1.19 4.34 -0.09 2.72 0.04 -1.26 -4.79 135.00 137.15 1smk s PRO 215 Ca -0.07 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.07 1smk s PRO 215 Cb -0.20 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1smk s PRO 215 CO -0.03 -0.38 -0.22 0.08 0.04 0.00 0.00 177.00 176.49 1smk s VAL 216 N 0.82 2.24 0.37 -0.36 1.01 -1.26 -0.51 120.40 122.72 1smk s VAL 216 Ca 0.62 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1smk s VAL 216 Cb -0.36 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1smk s VAL 216 CO 0.32 0.56 0.11 0.68 0.00 0.00 0.00 175.10 176.77 1smk s VAL 217 N 0.19 0.73 0.00 2.92 -7.23 -0.03 -4.43 120.40 112.55 1smk s VAL 217 Ca -0.13 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1smk s VAL 217 Cb -0.16 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1smk s VAL 217 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1smk n GLY 218 N -0.81 1.06 1.11 2.32 0.00 -0.40 -0.40 105.19 108.07 1smk n GLY 218 Ca -0.04 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 3.92 1.19 -0.02 0.00 0.72 -0.22 105.19 110.78 1smk n GLY 219 Ca 0.00 -2.13 0.08 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.35 1.29 -3.77 1.61 -0.00 -1.26 -3.63 115.22 109.11 1smk n HIS 220 Ca -0.04 -0.85 -0.13 0.00 0.46 0.00 0.00 57.72 57.16 1smk n HIS 220 Cb 0.20 -0.38 -0.11 0.00 -0.12 0.00 0.00 29.99 29.58 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 -2.83 -0.75 0.00 1.57 0.00 -1.26 -4.92 121.76 113.57 1smk s ALA 221 Ca 0.46 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1smk s ALA 221 Cb 0.37 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1smk s ALA 221 CO 0.11 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1smk n GLY 222 N 2.61 2.74 0.05 0.00 0.00 -1.25 -0.91 105.19 108.42 1smk n GLY 222 Ca -0.15 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 1.06 0.24 1.61 0.24 -1.26 -1.89 118.33 118.33 1smk n VAL 223 Ca 0.00 0.30 0.14 0.00 -2.04 0.00 0.00 64.34 62.74 1smk n VAL 223 Cb 0.00 -1.14 0.40 0.00 -1.47 0.00 0.00 33.84 31.64 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 0.00 0.04 -3.21 3.34 1.35 -1.32 -3.37 112.91 109.75 1smk h THR 224 Ca 0.00 -0.82 -0.57 0.00 -0.55 0.00 0.00 66.41 64.47 1smk h THR 224 Cb 0.24 1.79 -0.05 0.00 -1.73 0.00 0.00 68.15 68.40 1smk h THR 224 CO 0.00 0.02 1.00 -0.63 -0.25 0.00 0.00 175.52 175.66 1smk s ILE 225 N -3.42 4.06 -0.48 6.82 1.01 -0.79 -0.20 121.20 128.20 1smk s ILE 225 Ca 0.04 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.85 1smk s ILE 225 Cb 0.07 -4.19 0.13 0.00 0.01 0.00 0.00 42.46 38.48 1smk s ILE 225 CO 0.62 -0.59 0.25 -0.22 0.00 0.00 0.00 174.94 174.99 1smk s LEU 226 N 4.73 4.91 -0.05 2.97 2.96 0.47 -4.77 118.68 129.89 1smk s LEU 226 Ca 0.58 -2.52 -0.30 0.00 -0.22 0.00 0.00 54.13 51.66 1smk s LEU 226 Cb -0.15 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1smk s LEU 226 CO 0.27 -0.38 1.10 -2.16 -1.32 0.00 0.00 176.35 173.86 1smk s PRO 227 N 0.41 4.42 -1.14 0.98 0.04 -1.26 -0.85 135.00 137.60 1smk s PRO 227 Ca 0.13 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1smk s PRO 227 Cb -0.22 -3.51 0.20 0.00 0.04 0.00 0.00 34.50 31.01 1smk s PRO 227 CO -0.04 -0.31 1.30 -0.51 0.04 0.00 0.00 177.00 177.48 1smk s LEU 228 N 1.78 5.45 0.40 -3.56 1.43 0.33 -4.80 118.68 119.71 1smk s LEU 228 Ca 0.53 -3.06 0.08 0.00 -1.03 0.00 0.00 54.13 50.65 1smk s LEU 228 Cb -0.23 -2.34 0.83 0.00 0.03 0.00 0.00 46.19 44.48 1smk s LEU 228 CO 0.23 -0.65 2.00 -0.07 0.23 0.00 0.00 176.35 178.08 1smk h LEU 229 N 8.91 0.37 -2.30 1.79 3.38 -1.92 -1.57 115.31 123.98 1smk h LEU 229 Ca 0.26 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1smk h LEU 229 Cb 0.89 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1smk h LEU 229 CO 1.15 0.37 -0.02 0.77 0.09 0.00 0.00 178.44 180.80 1smk h SER 230 N 0.41 0.00 -0.51 -0.43 4.64 -1.94 -2.48 113.55 113.24 1smk h SER 230 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1smk h SER 230 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1smk h SER 230 CO -0.01 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1smk n GLN 231 N -3.22 3.66 -1.94 4.77 6.02 -0.59 -4.96 117.38 121.13 1smk n GLN 231 Ca -0.02 -2.82 -0.37 0.00 -0.01 0.00 0.00 57.00 53.78 1smk n GLN 231 Cb 0.17 -1.87 0.04 0.00 1.02 0.00 0.00 30.24 29.60 1smk n GLN 231 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1smk s VAL 232 N -2.12 2.44 -0.05 5.09 1.01 -0.94 -4.68 120.40 121.15 1smk s VAL 232 Ca 0.46 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.78 1smk s VAL 232 Cb 0.32 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 1smk s VAL 232 CO 0.18 -0.05 -0.20 -0.54 0.00 0.00 0.00 175.10 174.49 1smk s LYS 233 N -3.24 2.16 0.72 2.72 1.02 -0.62 -3.64 119.74 118.86 1smk s LYS 233 Ca 0.77 -0.73 -0.12 0.00 0.02 0.00 0.00 55.97 55.91 1smk s LYS 233 Cb -0.33 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 35.18 1smk s LYS 233 CO 0.37 0.27 1.10 -1.25 -0.92 0.00 0.00 175.35 174.92 1smk s PRO 234 N 0.03 2.54 -0.16 -1.68 0.04 -1.26 -0.68 135.00 133.84 1smk s PRO 234 Ca -0.06 1.25 -0.39 0.00 0.04 0.00 0.00 61.00 61.84 1smk s PRO 234 Cb -0.13 -1.93 -0.16 0.00 0.04 0.00 0.00 34.50 32.32 1smk s PRO 234 CO 0.03 -1.43 1.60 -2.30 0.04 0.00 0.00 177.00 174.94 1smk n PRO 235 N -3.01 1.13 -3.96 0.56 -0.02 -1.24 -4.95 135.00 123.52 1smk n PRO 235 Ca 0.09 0.41 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 1smk n PRO 235 Cb 0.53 -2.08 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.47 0.20 -0.12 2.55 0.01 -1.26 -5.13 113.70 112.42 1smk s SER 236 Ca 0.94 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 57.40 1smk s SER 236 Cb -1.04 0.33 0.01 0.00 0.21 0.00 0.00 66.02 65.53 1smk s SER 236 CO 0.59 -0.74 -0.21 -0.94 0.41 0.00 0.00 173.24 172.36 1smk s SER 237 N -2.92 2.89 -0.03 2.44 1.04 -1.26 -4.96 113.70 110.91 1smk s SER 237 Ca 0.10 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 55.99 1smk s SER 237 Cb 0.05 -1.33 -0.04 0.00 0.10 0.00 0.00 66.02 64.81 1smk s SER 237 CO -0.07 0.08 0.02 -0.36 0.98 0.00 0.00 173.24 173.89 1smk s PHE 238 N 0.72 3.15 0.68 5.02 0.08 -1.26 -5.11 117.98 121.26 1smk s PHE 238 Ca -0.10 0.15 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 1smk s PHE 238 Cb -0.16 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 1smk s PHE 238 CO 0.01 0.49 1.06 0.95 -0.10 0.00 0.00 175.22 177.63 1smk s THR 239 N -1.05 4.03 0.31 0.64 -4.23 -1.26 -4.85 115.64 109.23 1smk s THR 239 Ca 0.18 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.38 1smk s THR 239 Cb -0.12 -3.57 0.29 0.00 1.34 0.00 0.00 72.50 70.44 1smk s THR 239 CO 0.09 -0.86 1.88 -0.61 -0.54 0.00 0.00 174.62 174.57 1smk h GLN 240 N -0.58 0.91 -0.33 3.99 4.15 -2.00 -1.76 115.11 119.49 1smk h GLN 240 Ca -0.45 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 58.79 1smk h GLN 240 Cb 1.22 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1smk h GLN 240 CO 0.61 0.60 -0.30 1.05 -1.93 0.00 0.00 178.83 178.87 1smk h GLU 241 N 0.94 0.71 -0.54 1.69 -0.00 -1.99 -2.51 114.58 112.87 1smk h GLU 241 Ca 0.43 -0.32 -0.10 0.00 -0.00 0.00 0.00 59.36 59.38 1smk h GLU 241 Cb 0.39 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 29.11 1smk h GLU 241 CO -0.19 0.92 -0.04 0.93 -0.00 0.00 0.00 179.01 180.63 1smk h GLU 242 N 0.60 0.98 -0.45 1.06 5.08 -1.71 0.79 114.58 120.93 1smk h GLU 242 Ca 0.07 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1smk h GLU 242 Cb 0.81 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1smk h GLU 242 CO 0.07 1.01 0.23 0.82 -1.00 0.00 0.00 179.01 180.14 1smk h ILE 243 N 0.86 1.17 -0.04 3.13 2.04 -1.30 0.42 117.51 123.79 1smk h ILE 243 Ca 0.15 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1smk h ILE 243 Cb 0.59 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1smk h ILE 243 CO 0.04 0.18 0.01 -1.28 0.00 0.00 0.00 178.15 177.09 1smk h SER 244 N 0.58 0.07 -0.26 1.72 0.87 -1.31 -0.73 113.55 114.49 1smk h SER 244 Ca 0.16 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1smk h SER 244 Cb 0.07 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1smk h SER 244 CO -0.02 0.30 0.12 0.22 -0.53 0.00 0.00 176.83 176.92 1smk h TYR 245 N -0.17 0.38 -0.43 2.24 3.20 -0.71 -2.08 116.97 119.40 1smk h TYR 245 Ca 0.01 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1smk h TYR 245 Cb 0.26 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1smk h TYR 245 CO 0.01 0.36 0.04 -0.07 -1.64 0.00 0.00 178.16 176.87 1smk h LEU 246 N 0.28 0.70 -0.66 2.82 3.38 -0.14 0.01 115.31 121.70 1smk h LEU 246 Ca 0.09 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1smk h LEU 246 Cb 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1smk h LEU 246 CO -0.01 0.81 0.41 0.74 0.09 0.00 0.00 178.44 180.48 1smk h THR 247 N 0.57 1.18 -0.15 0.22 2.02 -1.10 -1.01 112.91 114.64 1smk h THR 247 Ca 0.13 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1smk h THR 247 Cb 0.42 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1smk h THR 247 CO 0.01 0.19 -0.12 0.44 0.37 0.00 0.00 175.52 176.40 1smk h ASP 248 N 0.90 0.37 -0.86 4.18 3.32 -1.27 -1.24 116.42 121.82 1smk h ASP 248 Ca 0.24 -0.46 0.05 0.00 0.02 0.00 0.00 57.03 56.88 1smk h ASP 248 Cb -0.05 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.33 1smk h ASP 248 CO -0.05 0.75 0.54 -0.09 -1.72 0.00 0.00 179.24 178.68 1smk h ARG 249 N -0.01 0.97 -0.37 3.56 2.43 -0.79 -0.83 114.38 119.35 1smk h ARG 249 Ca 0.03 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1smk h ARG 249 Cb 0.64 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1smk h ARG 249 CO 0.03 0.64 -0.14 0.82 -1.51 0.00 0.00 179.97 179.82 1smk h ILE 250 N 1.00 1.28 0.00 1.20 2.04 -1.14 0.31 117.51 122.21 1smk h ILE 250 Ca 0.36 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1smk h ILE 250 Cb 0.12 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1smk h ILE 250 CO -0.15 0.41 -0.09 1.56 0.00 0.00 0.00 178.15 179.88 1smk h GLN 251 N 0.54 0.00 -0.08 2.37 4.20 -0.77 -3.07 115.11 118.30 1smk h GLN 251 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1smk h GLN 251 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1smk h GLN 251 CO 0.05 0.09 0.00 0.09 -0.67 0.00 0.00 178.83 178.39 1smk n ASN 252 N -3.22 2.61 -0.24 1.46 3.02 -0.36 -3.90 115.26 114.63 1smk n ASN 252 Ca 0.00 -2.73 0.04 0.00 -0.03 0.00 0.00 54.58 51.87 1smk n ASN 252 Cb 0.36 -0.33 0.17 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.51 0.98 0.34 7.41 0.00 -0.28 -1.54 103.07 110.49 1smk h GLY 253 Ca 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 47.33 47.45 1smk h GLY 253 CO 0.04 -0.17 0.60 -1.33 0.00 0.00 0.00 176.54 175.68 1smk h GLY 254 N 0.29 1.34 2.00 4.60 0.00 -1.85 -0.43 103.07 109.02 1smk h GLY 254 Ca 0.39 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1smk h GLY 254 CO -0.48 0.03 -0.07 -0.91 0.00 0.00 0.00 176.54 175.12 1smk h THR 255 N 0.67 0.35 -0.46 4.70 1.35 -1.66 -2.65 112.91 115.23 1smk h THR 255 Ca 0.50 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.98 1smk h THR 255 Cb 0.87 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 1smk h THR 255 CO -0.26 0.06 0.24 -0.33 -0.25 0.00 0.00 175.52 174.99 1smk h GLU 256 N 0.00 0.64 -0.07 4.72 5.08 -1.14 -1.46 114.58 122.34 1smk h GLU 256 Ca -0.00 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1smk h GLU 256 Cb 0.27 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1smk h GLU 256 CO 0.01 0.52 -0.66 0.28 -1.00 0.00 0.00 179.01 178.16 1smk h VAL 257 N 0.60 1.39 -0.23 3.13 2.07 -1.57 -2.59 116.25 119.05 1smk h VAL 257 Ca 0.16 -2.07 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 1smk h VAL 257 Cb 0.07 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1smk h VAL 257 CO -0.02 0.62 0.07 0.58 0.02 0.00 0.00 177.57 178.83 1smk h VAL 258 N 0.22 1.20 -0.66 2.57 2.07 -1.34 -1.70 116.25 118.61 1smk h VAL 258 Ca -0.02 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1smk h VAL 258 Cb 1.20 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1smk h VAL 258 CO 0.11 0.20 0.36 -0.08 0.02 0.00 0.00 177.57 178.18 1smk h GLU 259 N 0.20 0.92 0.00 1.57 4.22 -1.28 0.67 114.58 120.88 1smk h GLU 259 Ca 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.41 1smk h GLU 259 Cb 0.25 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1smk h GLU 259 CO -0.00 0.69 0.00 0.00 -2.18 0.00 0.00 179.01 177.52 1smk h ALA 260 N 1.18 1.00 -0.58 2.92 0.00 -1.23 -0.71 119.26 121.84 1smk h ALA 260 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1smk h ALA 260 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1smk h ALA 260 CO -0.04 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.84 1smk n LYS 261 N -2.37 3.34 -3.27 0.00 5.02 -0.54 -4.92 118.16 115.42 1smk n LYS 261 Ca 0.01 -2.71 -0.22 0.00 -2.02 0.00 0.00 58.31 53.38 1smk n LYS 261 Cb 0.19 -1.73 0.06 0.00 -0.02 0.00 0.00 35.03 33.53 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 0.95 -1.08 -0.93 7.82 0.00 -0.27 -2.02 120.51 124.99 1smk n ALA 262 Ca 0.23 0.33 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1smk n ALA 262 Cb 0.77 -4.51 0.00 0.00 0.00 0.00 0.00 19.45 15.71 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 -1.72 0.07 2.75 0.00 0.00 0.22 -4.89 105.19 101.63 1smk n GLY 263 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 1.00 4.93 0.00 4.61 0.00 -0.86 -4.97 120.51 125.21 1smk n ALA 264 Ca 0.00 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.69 1smk n ALA 264 Cb 0.36 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1smk n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 265 N 0.69 3.83 0.00 0.00 0.00 -1.26 -4.98 105.19 103.46 1smk n GLY 265 Ca 0.32 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1smk n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1smk n SER 266 N 0.00 1.52 -4.74 1.61 3.41 -1.26 -4.30 113.62 109.87 1smk n SER 266 Ca 0.00 -0.30 -0.41 0.00 -0.26 0.00 0.00 58.87 57.89 1smk n SER 266 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.00 3.58 0.04 7.33 0.00 -1.26 -4.90 121.76 124.56 1smk s ALA 267 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1smk s ALA 267 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1smk s ALA 267 CO 0.00 -0.63 0.00 0.25 0.00 0.00 0.00 175.76 175.38 1smk n THR 268 N 2.62 0.15 0.11 0.00 -2.24 -1.26 -4.65 114.28 109.01 1smk n THR 268 Ca 0.07 0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.76 1smk n THR 268 Cb 0.42 -1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.21 -1.41 3.22 3.38 -1.90 0.30 115.31 118.69 1smk h LEU 269 Ca 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1smk h LEU 269 Cb 0.41 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1smk h LEU 269 CO 0.00 0.05 0.20 0.77 0.09 0.00 0.00 178.44 179.55 1smk h SER 270 N -0.48 0.54 -0.54 -0.43 4.64 -1.99 0.14 113.55 115.43 1smk h SER 270 Ca -0.03 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.15 1smk h SER 270 Cb 0.37 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1smk h SER 270 CO 0.04 0.47 -0.02 -0.03 -0.87 0.00 0.00 176.83 176.41 1smk h MET 271 N 0.60 0.99 0.21 4.77 1.85 -1.76 0.40 114.93 121.99 1smk h MET 271 Ca 0.15 -0.31 -0.01 0.00 -0.61 0.00 0.00 59.70 58.92 1smk h MET 271 Cb 0.08 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.02 1smk h MET 271 CO -0.02 0.99 -0.10 0.00 -0.40 0.00 0.00 176.91 177.38 1smk h ALA 272 N 1.06 -0.28 -0.62 0.39 0.00 0.81 0.26 119.26 120.88 1smk h ALA 272 Ca 0.16 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1smk h ALA 272 Cb 0.56 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1smk h ALA 272 CO 0.03 -0.56 0.06 -0.92 0.00 0.00 0.00 179.25 177.86 1smk h TYR 273 N -0.47 0.06 -0.50 0.00 3.20 -0.58 -0.24 116.97 118.43 1smk h TYR 273 Ca -0.03 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 1smk h TYR 273 Cb 0.36 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1smk h TYR 273 CO -0.01 -0.12 -0.16 0.00 -1.64 0.00 0.00 178.16 176.23 1smk h ALA 274 N 1.54 0.76 -0.52 1.82 0.00 -0.70 -1.36 119.26 120.80 1smk h ALA 274 Ca 0.33 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1smk h ALA 274 Cb 0.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1smk h ALA 274 CO -0.48 0.67 0.22 0.00 0.00 0.00 0.00 179.25 179.65 1smk h ALA 275 N 0.94 0.67 0.12 0.00 0.00 -0.06 -1.40 119.26 119.53 1smk h ALA 275 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1smk h ALA 275 Cb 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1smk h ALA 275 CO 0.06 0.27 -0.06 0.28 0.00 0.00 0.00 179.25 179.79 1smk h VAL 276 N 0.69 0.95 -0.87 0.00 2.07 -0.96 0.45 116.25 118.58 1smk h VAL 276 Ca 0.17 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.53 1smk h VAL 276 Cb 0.17 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.99 1smk h VAL 276 CO -0.02 0.07 0.51 0.50 0.02 0.00 0.00 177.57 178.65 1smk h LYS 277 N -0.28 0.82 -0.17 1.57 3.64 -1.12 0.43 116.57 121.45 1smk h LYS 277 Ca -0.02 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1smk h LYS 277 Cb 0.23 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1smk h LYS 277 CO 0.03 0.54 -0.16 0.35 -2.27 0.00 0.00 179.45 177.94 1smk h PHE 278 N 0.84 0.49 -0.79 1.91 3.57 -0.92 -2.35 116.94 119.69 1smk h PHE 278 Ca 0.43 -0.15 0.10 0.00 3.53 0.00 0.00 57.97 61.88 1smk h PHE 278 Cb 0.40 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 1smk h PHE 278 CO -0.05 0.78 0.44 0.00 -2.23 0.00 0.00 178.31 177.25 1smk h ALA 279 N 0.63 1.12 -0.47 2.41 0.00 0.10 0.51 119.26 123.57 1smk h ALA 279 Ca 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1smk h ALA 279 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1smk h ALA 279 CO 0.04 0.04 0.18 0.22 0.00 0.00 0.00 179.25 179.73 1smk h ASP 280 N 0.73 0.61 -0.64 0.00 3.58 -0.09 -1.09 116.42 119.50 1smk h ASP 280 Ca 0.39 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.72 1smk h ASP 280 Cb 0.38 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 1smk h ASP 280 CO -0.26 0.56 0.23 0.00 -2.88 0.00 0.00 179.24 176.88 1smk h ALA 281 N 1.54 0.84 -0.65 -0.78 0.00 -0.38 -0.71 119.26 119.12 1smk h ALA 281 Ca 0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1smk h ALA 281 Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1smk h ALA 281 CO -0.01 0.48 0.25 0.00 0.00 0.00 0.00 179.25 179.97 1smk h LEU 283 N 0.92 0.35 -1.44 0.00 3.38 -0.79 0.96 115.31 118.69 1smk h LEU 283 Ca 0.21 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1smk h LEU 283 Cb 0.23 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1smk h LEU 283 CO -0.02 0.38 0.43 0.03 0.09 0.00 0.00 178.44 179.36 1smk h ARG 284 N 0.29 0.69 -0.27 1.13 3.08 -0.95 0.42 114.38 118.77 1smk h ARG 284 Ca 0.09 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 1smk h ARG 284 Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1smk h ARG 284 CO -0.01 0.46 -0.39 0.78 -1.07 0.00 0.00 179.97 179.74 1smk h GLY 285 N 0.71 0.67 1.57 0.04 0.00 -0.61 0.23 103.07 105.68 1smk h GLY 285 Ca 0.27 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1smk h GLY 285 CO -0.08 0.60 -0.47 1.41 0.00 0.00 0.00 176.54 177.99 1smk h LEU 286 N 0.51 0.50 -1.90 3.11 3.38 0.13 -2.30 115.31 118.75 1smk h LEU 286 Ca 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1smk h LEU 286 Cb 0.90 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1smk h LEU 286 CO 0.08 0.90 -0.12 -0.09 0.09 0.00 0.00 178.44 179.30 1smk h ARG 287 N 0.37 0.00 0.00 1.13 2.43 0.02 -3.44 114.38 114.90 1smk h ARG 287 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1smk h ARG 287 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1smk h ARG 287 CO 0.09 0.12 0.00 0.41 -1.51 0.00 0.00 179.97 179.07 1smk n GLY 288 N -0.66 1.21 3.75 2.80 0.00 -0.89 -5.08 105.19 106.33 1smk n GLY 288 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.89 5.34 0.33 1.61 1.11 0.02 -5.00 116.67 118.19 1smk s ASP 289 Ca 0.00 2.48 0.07 0.00 0.18 0.00 0.00 52.55 55.27 1smk s ASP 289 Cb 0.00 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.37 1smk s ASP 289 CO 0.00 -1.50 0.42 0.00 1.18 0.00 0.00 175.17 175.28 1smk s ALA 290 N -1.50 4.13 -0.05 5.23 0.00 -1.26 -4.52 121.76 123.79 1smk s ALA 290 Ca 0.74 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1smk s ALA 290 Cb -0.33 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1smk s ALA 290 CO 0.37 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.54 1smk n GLY 291 N -1.56 0.23 3.58 0.00 0.00 -1.26 -4.93 105.19 101.25 1smk n GLY 291 Ca -0.01 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.41 3.61 -0.07 1.61 1.01 -1.26 -4.95 120.40 118.93 1smk s VAL 292 Ca 0.00 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.54 1smk s VAL 292 Cb 0.00 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1smk s VAL 292 CO 0.00 -0.81 -0.11 -0.63 0.00 0.00 0.00 175.10 173.54 1smk s ILE 293 N 6.96 1.09 0.06 2.22 1.01 -1.26 -0.78 121.20 130.49 1smk s ILE 293 Ca 0.66 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.73 1smk s ILE 293 Cb -0.15 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.33 1smk s ILE 293 CO 0.28 0.35 0.28 -1.61 0.00 0.00 0.00 174.94 174.24 1smk s GLU 294 N 0.73 0.83 0.06 2.79 0.41 -0.81 -4.93 118.70 117.78 1smk s GLU 294 Ca -0.13 -0.62 -0.24 0.00 -0.41 0.00 0.00 54.97 53.57 1smk s GLU 294 Cb -0.16 0.36 -0.06 0.00 -1.78 0.00 0.00 34.13 32.49 1smk s GLU 294 CO 0.03 -0.27 0.72 0.00 -0.49 0.00 0.00 175.26 175.25 1smk s ALA 296 N -0.34 -1.13 -0.62 0.00 0.00 -0.93 -4.45 121.76 114.28 1smk s ALA 296 Ca 0.36 0.45 -0.22 0.00 0.00 0.00 0.00 51.96 52.55 1smk s ALA 296 Cb -0.20 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.32 1smk s ALA 296 CO 0.22 -0.46 0.89 0.12 0.00 0.00 0.00 175.76 176.53 1smk s PHE 297 N -2.34 2.78 0.42 0.00 5.36 -0.72 -2.19 117.98 121.29 1smk s PHE 297 Ca -0.06 -0.58 0.03 0.00 -0.96 0.00 0.00 56.93 55.36 1smk s PHE 297 Cb -0.01 -4.16 -0.01 0.00 -0.34 0.00 0.00 43.02 38.50 1smk s PHE 297 CO -0.01 -1.50 0.10 1.33 -1.46 0.00 0.00 175.22 173.67 1smk n VAL 298 N 5.85 0.00 -2.69 3.12 0.24 -0.95 -0.87 118.33 123.03 1smk n VAL 298 Ca -0.05 -2.29 -0.42 0.00 -2.04 0.00 0.00 64.34 59.55 1smk n VAL 298 Cb 0.45 0.72 -0.04 0.00 -1.47 0.00 0.00 33.84 33.50 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 -3.48 7.40 0.22 -1.34 0.15 -1.26 -0.46 113.70 114.92 1smk s SER 299 Ca 0.14 1.75 -0.23 0.00 0.70 0.00 0.00 55.95 58.32 1smk s SER 299 Cb 0.01 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1smk s SER 299 CO 0.10 -0.19 0.75 -0.94 1.20 0.00 0.00 173.24 174.15 1smk s SER 300 N 0.57 -0.31 -0.04 5.45 1.04 -0.62 -4.91 113.70 114.87 1smk s SER 300 Ca 0.50 -0.41 0.10 0.00 0.48 0.00 0.00 55.95 56.61 1smk s SER 300 Cb -0.23 0.64 0.27 0.00 0.10 0.00 0.00 66.02 66.80 1smk s SER 300 CO 0.29 -1.15 1.21 0.00 0.98 0.00 0.00 173.24 174.57 1smk n GLN 301 N -0.43 2.77 -0.21 4.02 3.00 -1.26 -4.35 117.38 120.92 1smk n GLN 301 Ca -0.07 -2.10 -0.00 0.00 -0.01 0.00 0.00 57.00 54.82 1smk n GLN 301 Cb 0.61 -1.32 0.11 0.00 0.00 0.00 0.00 30.24 29.63 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 1.28 0.82 -4.72 5.09 2.07 -1.93 -3.43 116.25 115.42 1smk h VAL 302 Ca 0.00 -0.16 -0.44 0.00 0.82 0.00 0.00 66.70 66.92 1smk h VAL 302 Cb 0.82 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1smk h VAL 302 CO 0.04 0.09 -0.32 0.35 0.02 0.00 0.00 177.57 177.75 1smk n THR 303 N -4.94 0.00 0.19 2.57 -2.24 -1.26 -5.01 114.28 103.58 1smk n THR 303 Ca 0.09 -1.59 0.03 0.00 -2.27 0.00 0.00 64.05 60.30 1smk n THR 303 Cb 0.25 0.31 0.36 0.00 -2.10 0.00 0.00 70.33 69.15 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 -6.80 -0.78 9.09 -1.93 -3.43 114.58 110.73 1smk h GLU 304 Ca -0.28 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.60 1smk h GLU 304 Cb 0.85 0.00 0.06 0.00 -1.65 0.00 0.00 28.75 28.01 1smk h GLU 304 CO 0.46 0.38 0.74 -0.51 0.05 0.00 0.00 179.01 180.13 1smk s LEU 305 N -8.04 4.39 0.45 3.06 1.02 -1.26 -4.91 118.68 113.39 1smk s LEU 305 Ca -0.03 2.72 0.31 0.00 0.02 0.00 0.00 54.13 57.15 1smk s LEU 305 Cb 0.14 -3.63 1.32 0.00 0.02 0.00 0.00 46.19 44.03 1smk s LEU 305 CO 0.72 -0.69 1.91 1.55 0.02 0.00 0.00 176.35 179.86 1smk h PRO 306 N 4.44 0.00 -4.40 1.29 0.13 -1.85 -3.43 132.00 128.18 1smk h PRO 306 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 1smk h PRO 306 Cb 1.22 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.05 1smk h PRO 306 CO 0.74 0.00 -0.77 -0.06 -0.23 0.00 0.00 178.00 177.68 1smk s PHE 307 N -3.58 0.68 -0.24 1.56 0.08 -1.26 -1.59 117.98 113.64 1smk s PHE 307 Ca 0.02 -0.15 -0.27 0.00 0.12 0.00 0.00 56.93 56.65 1smk s PHE 307 Cb 0.09 -0.49 0.11 0.00 -0.57 0.00 0.00 43.02 42.17 1smk s PHE 307 CO 0.46 -0.06 0.96 0.12 -0.10 0.00 0.00 175.22 176.61 1smk s PHE 308 N 0.12 -0.50 0.05 0.36 5.36 0.39 -4.91 117.98 118.85 1smk s PHE 308 Ca -0.01 1.12 -0.19 0.00 -0.96 0.00 0.00 56.93 56.88 1smk s PHE 308 Cb -0.06 0.38 -0.06 0.00 -0.34 0.00 0.00 43.02 42.93 1smk s PHE 308 CO -0.00 -0.30 0.57 0.00 -1.46 0.00 0.00 175.22 174.03 1smk s ALA 309 N -0.17 3.56 0.16 11.12 0.00 0.69 -2.24 121.76 134.88 1smk s ALA 309 Ca 0.01 0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.75 1smk s ALA 309 Cb -0.04 -2.66 0.07 0.00 0.00 0.00 0.00 23.12 20.50 1smk s ALA 309 CO -0.02 0.33 1.01 -1.54 0.00 0.00 0.00 175.76 175.54 1smk s SER 310 N -0.82 -0.10 0.44 0.00 1.04 -0.93 -1.27 113.70 112.06 1smk s SER 310 Ca 0.29 -0.49 -0.25 0.00 0.48 0.00 0.00 55.95 55.98 1smk s SER 310 Cb -0.19 0.47 -0.08 0.00 0.10 0.00 0.00 66.02 66.32 1smk s SER 310 CO 0.18 -0.90 1.33 -0.54 0.98 0.00 0.00 173.24 174.29 1smk s LYS 311 N -2.81 3.78 -0.05 4.02 1.02 -1.26 -2.19 119.74 122.25 1smk s LYS 311 Ca 0.16 2.20 -0.06 0.00 0.02 0.00 0.00 55.97 58.29 1smk s LYS 311 Cb -0.01 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1smk s LYS 311 CO 0.03 -0.66 0.16 0.14 -0.92 0.00 0.00 175.35 174.10 1smk s VAL 312 N -1.27 0.02 -0.15 3.17 -7.23 0.45 -1.88 120.40 113.51 1smk s VAL 312 Ca 0.60 -0.18 -0.19 0.00 -1.81 0.00 0.00 61.98 60.40 1smk s VAL 312 Cb -0.39 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 1smk s VAL 312 CO 0.50 -0.10 0.53 -0.60 -0.31 0.00 0.00 175.10 175.12 1smk s ARG 313 N -0.30 4.28 -0.36 4.82 3.52 0.84 -1.93 118.95 129.82 1smk s ARG 313 Ca -0.04 0.50 -0.17 0.00 -0.13 0.00 0.00 55.73 55.89 1smk s ARG 313 Cb -0.03 -3.50 -0.00 0.00 -1.56 0.00 0.00 34.95 29.86 1smk s ARG 313 CO 0.01 -0.01 0.45 -0.51 -0.81 0.00 0.00 175.30 174.43 1smk s LEU 314 N 1.15 4.48 0.00 -0.88 1.43 0.04 0.50 118.68 125.40 1smk s LEU 314 Ca 0.27 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1smk s LEU 314 Cb -0.16 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1smk s LEU 314 CO 0.11 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1smk n GLY 315 N 4.92 3.65 0.29 -3.19 0.00 0.49 -4.33 105.19 107.03 1smk n GLY 315 Ca -0.07 -2.11 0.18 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.65 1.61 3.08 -1.71 -2.69 114.38 114.01 1smk h ARG 316 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1smk h ARG 316 Cb 0.00 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 29.70 1smk h ARG 316 CO 0.00 0.04 -0.62 0.09 -1.07 0.00 0.00 179.97 178.41 1smk n ASN 317 N -3.26 4.62 0.00 7.04 3.02 -1.26 -4.76 115.26 120.65 1smk n ASN 317 Ca -0.01 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.76 1smk n ASN 317 Cb 0.20 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.80 1.31 3.60 7.41 0.00 -1.01 -4.65 105.19 111.05 1smk n GLY 318 Ca 0.42 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 4.71 0.01 -0.61 1.01 0.20 0.18 121.20 126.70 1smk s ILE 319 Ca 0.00 1.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.72 1smk s ILE 319 Cb 0.00 -4.23 -0.28 0.00 0.01 0.00 0.00 42.46 37.96 1smk s ILE 319 CO 0.00 -0.39 0.88 -0.33 0.00 0.00 0.00 174.94 175.09 1smk h GLU 320 N 8.33 0.26 -2.57 2.79 4.39 -0.28 -3.46 114.58 124.05 1smk h GLU 320 Ca -0.24 -0.45 -0.10 0.00 0.34 0.00 0.00 59.36 58.91 1smk h GLU 320 Cb 1.09 0.17 -0.23 0.00 -0.10 0.00 0.00 28.75 29.68 1smk h GLU 320 CO 0.92 1.13 -0.13 -2.00 -1.16 0.00 0.00 179.01 177.77 1smk s GLU 321 N -2.62 0.61 -0.44 2.33 2.12 -1.18 -4.97 118.70 114.55 1smk s GLU 321 Ca -0.09 0.57 -0.05 0.00 0.36 0.00 0.00 54.97 55.76 1smk s GLU 321 Cb 0.07 0.29 0.12 0.00 0.26 0.00 0.00 34.13 34.87 1smk s GLU 321 CO 0.86 -0.09 0.27 0.08 -0.54 0.00 0.00 175.26 175.83 1smk s VAL 322 N 0.02 3.65 0.61 3.70 1.01 -1.26 -0.12 120.40 128.01 1smk s VAL 322 Ca -0.02 -2.01 -0.18 0.00 0.00 0.00 0.00 61.98 59.77 1smk s VAL 322 Cb -0.03 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1smk s VAL 322 CO 0.02 -0.73 1.15 -0.31 0.00 0.00 0.00 175.10 175.22 1smk s TYR 323 N 1.15 2.51 0.92 5.22 2.02 -0.79 -4.97 117.35 123.42 1smk s TYR 323 Ca 0.08 1.55 -0.14 0.00 -0.37 0.00 0.00 57.07 58.19 1smk s TYR 323 Cb -0.24 -3.33 0.19 0.00 -0.40 0.00 0.00 41.96 38.18 1smk s TYR 323 CO -0.03 -1.89 1.27 -1.54 -1.57 0.00 0.00 175.55 171.79 1smk s SER 324 N -1.98 3.31 0.31 2.29 1.04 -1.26 -4.46 113.70 112.95 1smk s SER 324 Ca 0.72 0.18 0.09 0.00 0.48 0.00 0.00 55.95 57.43 1smk s SER 324 Cb -0.25 -0.28 0.51 0.00 0.10 0.00 0.00 66.02 66.09 1smk s SER 324 CO 0.35 -2.60 1.72 -0.07 0.98 0.00 0.00 173.24 173.62 1smk h LEU 325 N -1.47 0.13 0.00 2.42 3.38 -1.96 -3.44 115.31 114.36 1smk h LEU 325 Ca -0.43 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1smk h LEU 325 Cb 1.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1smk h LEU 325 CO 0.39 0.56 0.00 0.61 0.09 0.00 0.00 178.44 180.09 1smk n GLY 326 N -0.17 -1.85 3.74 0.83 0.00 -1.26 -4.88 105.19 101.61 1smk n GLY 326 Ca -0.02 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 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 4.47 0.02 1.61 0.04 -1.26 -5.02 135.00 134.86 1smk s PRO 327 Ca 0.00 1.96 0.06 0.00 0.04 0.00 0.00 61.00 63.06 1smk s PRO 327 Cb 0.00 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 1smk s PRO 327 CO 0.00 -0.10 -0.17 -0.51 0.04 0.00 0.00 177.00 176.26 1smk s LEU 328 N -0.59 2.12 0.00 -3.56 1.43 -1.26 -4.88 118.68 111.95 1smk s LEU 328 Ca 0.52 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 53.11 1smk s LEU 328 Cb -0.35 -0.82 0.15 0.00 0.03 0.00 0.00 46.19 45.20 1smk s LEU 328 CO 0.40 0.14 0.91 -0.46 0.23 0.00 0.00 176.35 177.57 1smk n ASN 329 N 2.15 0.34 0.33 2.29 0.23 -1.26 -4.77 115.26 114.57 1smk n ASN 329 Ca -0.16 -1.50 -0.18 0.00 -0.53 0.00 0.00 54.58 52.21 1smk n ASN 329 Cb 0.54 -0.67 -0.09 0.00 -2.08 0.00 0.00 39.78 37.47 1smk n ASN 329 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1smk h GLU 330 N 0.00 -0.99 -0.73 -3.83 4.39 -2.01 0.10 114.58 111.52 1smk h GLU 330 Ca -0.30 0.07 0.15 0.00 0.34 0.00 0.00 59.36 59.62 1smk h GLU 330 Cb 0.88 0.22 -0.14 0.00 -0.10 0.00 0.00 28.75 29.62 1smk h GLU 330 CO 0.24 -0.66 -0.16 -0.92 -1.16 0.00 0.00 179.01 176.35 1smk h TYR 331 N -1.02 -0.34 -0.17 4.33 3.20 -1.99 0.39 116.97 121.37 1smk h TYR 331 Ca -0.07 0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 1smk h TYR 331 Cb 0.87 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1smk h TYR 331 CO -0.20 -0.30 -0.43 0.93 -1.64 0.00 0.00 178.16 176.52 1smk h GLU 332 N 0.01 0.40 -0.72 1.82 5.08 -1.87 -0.55 114.58 118.75 1smk h GLU 332 Ca 0.36 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1smk h GLU 332 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1smk h GLU 332 CO -0.74 0.76 0.25 0.00 -1.00 0.00 0.00 179.01 178.27 1smk h ARG 333 N 0.33 1.09 -0.25 2.33 2.47 0.12 0.17 114.38 120.64 1smk h ARG 333 Ca 0.03 -0.21 -0.18 0.00 -1.26 0.00 0.00 59.98 58.35 1smk h ARG 333 Cb 0.89 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1smk h ARG 333 CO 0.07 0.91 -0.57 0.82 0.56 0.00 0.00 179.97 181.77 1smk h ILE 334 N 1.06 1.29 -0.68 2.04 1.08 -0.80 -2.40 117.51 119.10 1smk h ILE 334 Ca 0.24 -1.77 -0.04 0.00 -0.39 0.00 0.00 64.86 62.90 1smk h ILE 334 Cb 0.26 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 1smk h ILE 334 CO -0.01 0.57 0.28 1.23 -0.69 0.00 0.00 178.15 179.52 1smk h GLY 335 N 0.80 1.06 1.16 5.37 0.00 -0.50 -1.93 103.07 109.04 1smk h GLY 335 Ca 0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 1smk h GLY 335 CO 0.12 0.52 0.19 -2.00 0.00 0.00 0.00 176.54 175.37 1smk h LEU 336 N 0.98 0.99 -0.67 3.11 5.85 -0.56 0.10 115.31 125.11 1smk h LEU 336 Ca 0.23 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1smk h LEU 336 Cb 0.18 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1smk h LEU 336 CO -0.02 0.93 0.36 -0.08 -0.34 0.00 0.00 178.44 179.30 1smk h GLU 337 N 1.01 0.93 -0.41 1.25 4.57 -0.86 0.13 114.58 121.20 1smk h GLU 337 Ca 0.22 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 58.18 1smk h GLU 337 Cb 0.31 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1smk h GLU 337 CO -0.00 0.70 -0.17 0.87 -1.18 0.00 0.00 179.01 179.23 1smk h LYS 338 N 0.91 0.84 -0.18 1.92 1.57 -0.96 -2.72 116.57 117.95 1smk h LYS 338 Ca 0.23 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1smk h LYS 338 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1smk h LYS 338 CO -0.04 0.99 0.11 0.00 -0.57 0.00 0.00 179.45 179.95 1smk h ALA 339 N 0.83 0.23 -0.35 3.86 0.00 -0.23 -2.66 119.26 120.94 1smk h ALA 339 Ca 0.10 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1smk h ALA 339 Cb 0.72 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1smk h ALA 339 CO 0.05 -0.27 0.15 0.87 0.00 0.00 0.00 179.25 180.06 1smk h LYS 340 N 0.23 0.31 -0.16 0.00 1.57 -0.75 0.60 116.57 118.36 1smk h LYS 340 Ca 0.07 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1smk h LYS 340 Cb 0.01 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.18 1smk h LYS 340 CO -0.01 0.21 -0.30 -0.22 -0.57 0.00 0.00 179.45 178.55 1smk h LYS 341 N 0.32 -0.34 -0.05 3.15 3.64 -1.29 -0.41 116.57 121.59 1smk h LYS 341 Ca 0.15 0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.32 1smk h LYS 341 Cb 0.09 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1smk h LYS 341 CO -0.13 -0.23 -0.93 1.49 -2.27 0.00 0.00 179.45 177.38 1smk h GLU 342 N -0.36 0.64 -0.02 1.90 4.81 -1.37 -3.18 114.58 117.00 1smk h GLU 342 Ca 0.11 -0.62 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1smk h GLU 342 Cb 0.52 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1smk h GLU 342 CO -0.36 1.23 0.01 1.25 -0.73 0.00 0.00 179.01 180.41 1smk h LEU 343 N 0.39 0.00 -0.42 1.64 5.85 -0.66 -2.02 115.31 120.08 1smk h LEU 343 Ca -0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1smk h LEU 343 Cb 1.57 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 1smk h LEU 343 CO 0.18 0.00 0.24 0.00 -0.34 0.00 0.00 178.44 178.52 1smk h ALA 344 N 1.99 0.54 -0.41 1.25 0.00 -1.05 -1.81 119.26 119.77 1smk h ALA 344 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1smk h ALA 344 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1smk h ALA 344 CO -0.00 0.04 0.15 0.78 0.00 0.00 0.00 179.25 180.22 1smk h GLY 345 N 0.55 0.67 1.55 0.00 0.00 -1.48 -1.98 103.07 102.39 1smk h GLY 345 Ca 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1smk h GLY 345 CO -0.03 0.35 0.23 1.76 0.00 0.00 0.00 176.54 178.86 1smk h SER 346 N 0.52 0.52 -0.09 0.19 0.02 -1.32 0.38 113.55 113.78 1smk h SER 346 Ca 0.14 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1smk h SER 346 Cb 0.22 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1smk h SER 346 CO -0.01 0.43 -0.16 0.40 -1.14 0.00 0.00 176.83 176.35 1smk h ILE 347 N 0.60 1.40 -0.45 3.27 2.04 -1.13 -2.48 117.51 120.75 1smk h ILE 347 Ca 0.15 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 1smk h ILE 347 Cb 0.02 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1smk h ILE 347 CO -0.03 0.41 0.22 -0.08 0.00 0.00 0.00 178.15 178.67 1smk h GLU 348 N -0.20 0.64 -0.98 2.37 4.57 -0.90 0.10 114.58 120.19 1smk h GLU 348 Ca 0.01 -0.09 0.15 0.00 -1.18 0.00 0.00 59.36 58.24 1smk h GLU 348 Cb 0.73 -0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 29.11 1smk h GLU 348 CO 0.04 0.54 0.60 -0.22 -1.18 0.00 0.00 179.01 178.78 1smk h LYS 349 N 0.58 0.84 -0.02 1.92 3.64 -0.26 0.22 116.57 123.49 1smk h LYS 349 Ca 0.15 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1smk h LYS 349 Cb 0.10 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1smk h LYS 349 CO -0.02 0.55 -0.17 0.78 -2.27 0.00 0.00 179.45 178.33 1smk h GLY 350 N 0.86 0.17 1.01 5.01 0.00 -0.87 -2.71 103.07 106.54 1smk h GLY 350 Ca 0.52 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.60 1smk h GLY 350 CO -0.32 0.23 0.53 -2.08 0.00 0.00 0.00 176.54 174.91 1smk h VAL 351 N -0.46 1.21 -0.73 4.60 2.07 -0.34 -2.20 116.25 120.39 1smk h VAL 351 Ca -0.01 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.19 1smk h VAL 351 Cb 0.86 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1smk h VAL 351 CO 0.03 0.20 0.43 -1.28 0.02 0.00 0.00 177.57 176.97 1smk h SER 352 N 1.09 0.65 -0.87 0.57 0.87 -0.64 -1.36 113.55 113.86 1smk h SER 352 Ca 0.30 0.03 0.19 0.00 -1.23 0.00 0.00 61.79 61.07 1smk h SER 352 Cb -0.13 -0.11 -0.11 0.00 -0.44 0.00 0.00 62.40 61.62 1smk h SER 352 CO -0.06 0.42 0.41 0.15 -0.53 0.00 0.00 176.83 177.22 1smk h PHE 353 N 0.78 0.70 0.12 2.24 3.57 -1.05 -2.39 116.94 120.91 1smk h PHE 353 Ca 0.32 0.04 -0.32 0.00 3.53 0.00 0.00 57.97 61.55 1smk h PHE 353 Cb 0.18 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1smk h PHE 353 CO -0.06 0.06 -1.61 0.82 -2.23 0.00 0.00 178.31 175.29 1smk h ILE 354 N 0.50 1.07 -0.16 1.41 1.08 -1.48 -3.41 117.51 116.53 1smk h ILE 354 Ca 0.52 -2.71 -0.60 0.00 -0.39 0.00 0.00 64.86 61.67 1smk h ILE 354 Cb 0.88 2.73 0.01 0.00 -3.07 0.00 0.00 36.82 37.36 1smk h ILE 354 CO -0.45 0.81 2.18 0.54 -0.69 0.00 0.00 178.15 180.54 1smk n ARG 355 N -3.46 1.86 0.00 2.37 5.12 -0.55 -5.07 116.66 116.93 1smk n ARG 355 Ca -0.19 -2.20 0.00 0.00 -1.93 0.00 0.00 57.85 53.53 1smk n ARG 355 Cb 1.05 -3.18 0.00 0.00 -1.16 0.00 0.00 32.46 29.17 1smk n ARG 355 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13