#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uag s ASP 2 N 0.00 3.43 0.00 0.00 2.15 -1.26 -5.01 116.67 115.98 1uag s ASP 2 Ca 0.00 -0.48 0.10 0.00 0.43 0.00 0.00 52.55 52.59 1uag s ASP 2 Cb 0.00 -1.49 0.17 0.00 -0.30 0.00 0.00 42.92 41.30 1uag s ASP 2 CO 0.00 0.15 1.00 -1.22 -0.17 0.00 0.00 175.17 174.93 1uag n TYR 3 N 3.61 0.19 -1.96 -5.34 4.01 -1.26 -5.00 117.16 111.41 1uag n TYR 3 Ca -0.19 -0.23 -0.42 0.00 -0.16 0.00 0.00 57.90 56.90 1uag n TYR 3 Cb 0.53 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.51 1uag n TYR 3 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1uag s GLN 4 N -0.90 4.23 0.00 -0.72 -0.44 -1.26 -1.43 119.66 119.14 1uag s GLN 4 Ca 0.16 2.33 0.00 0.00 -2.50 0.00 0.00 55.36 55.35 1uag s GLN 4 Cb 0.09 -3.16 0.00 0.00 -1.64 0.00 0.00 33.01 28.30 1uag s GLN 4 CO 0.13 -0.59 0.00 0.41 0.50 0.00 0.00 175.29 175.74 1uag n GLY 5 N 3.69 0.49 3.86 2.59 0.00 -1.26 -5.01 105.19 109.55 1uag n GLY 5 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1uag n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uag s LYS 6 N -0.40 3.84 -0.70 1.61 1.02 -0.51 -5.03 119.74 119.57 1uag s LYS 6 Ca 0.00 0.29 -0.25 0.00 0.02 0.00 0.00 55.97 56.02 1uag s LYS 6 Cb 0.00 -2.97 0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1uag s LYS 6 CO 0.00 0.53 1.15 1.21 -0.92 0.00 0.00 175.35 177.31 1uag s ASN 7 N -1.76 6.18 -0.21 2.83 3.84 -1.26 -4.93 114.94 119.63 1uag s ASN 7 Ca 0.35 -0.63 -0.07 0.00 0.21 0.00 0.00 52.86 52.71 1uag s ASN 7 Cb -0.14 -2.50 -0.04 0.00 -0.55 0.00 0.00 41.25 38.02 1uag s ASN 7 CO 0.18 -1.66 0.06 -0.69 -2.79 0.00 0.00 177.10 172.21 1uag s VAL 8 N 5.01 4.54 -0.13 -5.21 1.01 -1.26 -0.49 120.40 123.87 1uag s VAL 8 Ca 0.30 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1uag s VAL 8 Cb -0.12 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1uag s VAL 8 CO 0.14 0.41 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 1uag s VAL 9 N 0.88 2.34 -0.17 2.92 1.01 -0.64 -1.25 120.40 125.48 1uag s VAL 9 Ca 0.03 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1uag s VAL 9 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1uag s VAL 9 CO 0.02 0.54 0.03 -0.63 0.00 0.00 0.00 175.10 175.06 1uag s ILE 10 N 0.64 4.47 -0.25 2.22 1.01 0.41 0.12 121.20 129.82 1uag s ILE 10 Ca -0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1uag s ILE 10 Cb -0.16 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1uag s ILE 10 CO 0.02 0.47 0.12 -0.63 0.00 0.00 0.00 174.94 174.93 1uag s ILE 11 N 0.38 4.91 0.00 2.92 1.01 0.08 -0.74 121.20 129.76 1uag s ILE 11 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1uag s ILE 11 Cb -0.13 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1uag s ILE 11 CO 0.01 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1uag n GLY 12 N 4.63 2.85 2.74 6.18 0.00 0.81 -1.09 105.19 121.31 1uag n GLY 12 Ca -0.15 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 1uag n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uag n LEU 13 N 0.00 6.31 0.00 0.99 4.77 -1.26 -3.76 117.00 124.05 1uag n LEU 13 Ca 0.00 -5.05 0.00 0.00 -0.03 0.00 0.00 56.01 50.93 1uag n LEU 13 Cb 0.00 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1uag n LEU 13 CO 0.00 1.99 0.00 0.61 -1.33 0.00 0.00 177.39 178.66 1uag n GLY 14 N -0.48 2.97 0.11 -0.72 0.00 -1.26 -0.81 105.19 105.00 1uag n GLY 14 Ca 0.47 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 1uag n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uag h LEU 15 N 0.00 0.25 -0.03 0.99 3.38 -1.99 -2.28 115.31 115.63 1uag h LEU 15 Ca 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1uag h LEU 15 Cb 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1uag h LEU 15 CO 0.00 0.32 0.01 0.74 0.09 0.00 0.00 178.44 179.60 1uag h THR 16 N 0.16 1.12 -0.96 0.22 2.02 -1.95 -2.45 112.91 111.08 1uag h THR 16 Ca 0.06 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1uag h THR 16 Cb 0.14 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1uag h THR 16 CO -0.01 0.10 0.63 1.23 0.37 0.00 0.00 175.52 177.84 1uag h GLY 17 N -0.09 1.38 1.28 2.16 0.00 -1.64 -1.12 103.07 105.04 1uag h GLY 17 Ca 0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 1uag h GLY 17 CO -0.00 0.42 -0.29 1.41 0.00 0.00 0.00 176.54 178.08 1uag h LEU 18 N 1.22 0.84 -1.16 3.11 3.38 -1.37 -1.22 115.31 120.10 1uag h LEU 18 Ca 0.38 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1uag h LEU 18 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1uag h LEU 18 CO -0.11 1.08 -0.34 0.77 0.09 0.00 0.00 178.44 179.92 1uag h SER 19 N 0.69 0.14 -0.14 -0.43 4.64 -0.89 -2.11 113.55 115.44 1uag h SER 19 Ca 0.08 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.16 1uag h SER 19 Cb 0.83 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1uag h SER 19 CO 0.07 0.48 -0.62 0.00 -0.87 0.00 0.00 176.83 175.89 1uag h VAL 21 N 0.56 0.93 -0.46 0.00 2.07 -0.95 -0.89 116.25 117.51 1uag h VAL 21 Ca -0.01 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 1uag h VAL 21 Cb 1.22 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1uag h VAL 21 CO 0.13 0.08 -0.21 0.44 0.02 0.00 0.00 177.57 178.03 1uag h ASP 22 N 0.44 0.94 -0.09 0.57 3.32 -1.32 -0.60 116.42 119.68 1uag h ASP 22 Ca 0.21 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 56.96 1uag h ASP 22 Cb 0.14 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1uag h ASP 22 CO -0.16 1.11 -0.27 0.15 -1.72 0.00 0.00 179.24 178.35 1uag h PHE 23 N 0.80 -0.72 -0.42 4.55 3.57 -0.71 -1.06 116.94 122.94 1uag h PHE 23 Ca 0.11 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 1uag h PHE 23 Cb 0.76 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1uag h PHE 23 CO 0.05 -0.35 -0.28 0.74 -2.23 0.00 0.00 178.31 176.23 1uag h PHE 24 N -0.36 1.09 -0.89 0.41 0.04 -0.93 -3.08 116.94 113.21 1uag h PHE 24 Ca 0.09 -0.30 0.01 0.00 2.80 0.00 0.00 57.97 60.58 1uag h PHE 24 Cb 0.49 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.35 1uag h PHE 24 CO -0.34 1.11 0.59 -0.07 -0.60 0.00 0.00 178.31 179.00 1uag h LEU 25 N 0.76 1.01 -0.86 1.54 3.38 -0.81 0.17 115.31 120.50 1uag h LEU 25 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1uag h LEU 25 Cb 0.87 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1uag h LEU 25 CO 0.08 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.33 1uag n ALA 26 N -2.35 1.43 -0.63 1.53 0.00 -0.42 -1.48 120.51 118.59 1uag n ALA 26 Ca 0.10 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1uag n ALA 26 Cb 0.03 -1.34 0.27 0.00 0.00 0.00 0.00 19.45 18.41 1uag n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uag n ARG 27 N -2.17 3.29 -1.86 0.00 1.74 0.50 -4.95 116.66 113.21 1uag n ARG 27 Ca 0.01 -2.65 -0.07 0.00 -0.77 0.00 0.00 57.85 54.36 1uag n ARG 27 Cb 0.15 -1.72 -0.01 0.00 -1.02 0.00 0.00 32.46 29.86 1uag n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uag n GLY 28 N 0.40 0.33 2.99 -0.13 0.00 -0.55 -4.80 105.19 103.43 1uag n GLY 28 Ca 0.20 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 1uag n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uag s VAL 29 N -2.34 1.27 -0.42 1.61 1.01 -0.66 -4.78 120.40 116.10 1uag s VAL 29 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 1uag s VAL 29 Cb 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1uag s VAL 29 CO 0.00 0.40 0.54 -0.89 0.00 0.00 0.00 175.10 175.15 1uag s THR 30 N 1.29 4.96 0.60 3.92 2.01 -1.26 -2.51 115.64 124.65 1uag s THR 30 Ca -0.02 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 1uag s THR 30 Cb -0.14 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.29 1uag s THR 30 CO -0.05 -0.48 0.90 -2.16 -0.69 0.00 0.00 174.62 172.14 1uag s PRO 31 N 2.47 2.68 0.10 4.92 0.04 -1.26 -4.70 135.00 139.26 1uag s PRO 31 Ca 0.18 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.04 1uag s PRO 31 Cb -0.16 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1uag s PRO 31 CO 0.16 -0.81 0.05 1.03 0.04 0.00 0.00 177.00 177.46 1uag s ARG 32 N -4.99 2.71 -0.03 4.56 0.52 -0.38 -4.31 118.95 117.02 1uag s ARG 32 Ca 0.55 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 1uag s ARG 32 Cb -0.11 -2.61 0.01 0.00 0.52 0.00 0.00 34.95 32.76 1uag s ARG 32 CO 0.43 0.54 -0.09 0.54 0.02 0.00 0.00 175.30 176.74 1uag s VAL 33 N -1.42 0.79 0.22 3.52 0.11 -0.69 -0.45 120.40 122.48 1uag s VAL 33 Ca 0.28 -0.34 0.05 0.00 -2.93 0.00 0.00 61.98 59.03 1uag s VAL 33 Cb -0.12 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1uag s VAL 33 CO 0.20 0.26 -0.05 0.00 -3.33 0.00 0.00 175.10 172.18 1uag s MET 34 N 0.35 1.32 -0.24 1.54 0.23 0.08 -0.90 119.30 121.67 1uag s MET 34 Ca -0.06 -1.64 -0.25 0.00 -1.03 0.00 0.00 55.69 52.71 1uag s MET 34 Cb -0.10 -0.78 0.07 0.00 -1.53 0.00 0.00 34.83 32.49 1uag s MET 34 CO 0.01 -0.00 0.71 0.34 -2.03 0.00 0.00 175.02 174.04 1uag s ASP 35 N -3.30 -0.73 0.40 -1.18 -1.08 -0.17 -0.13 116.67 110.47 1uag s ASP 35 Ca 0.25 1.35 0.26 0.00 -0.52 0.00 0.00 52.55 53.89 1uag s ASP 35 Cb 0.04 1.35 0.74 0.00 -1.46 0.00 0.00 42.92 43.59 1uag s ASP 35 CO 0.07 -0.29 1.74 0.71 0.52 0.00 0.00 175.17 177.93 1uag h THR 36 N 3.91 0.00 -3.29 1.71 1.35 -1.87 -1.19 112.91 113.54 1uag h THR 36 Ca -0.29 -0.70 -0.53 0.00 -0.55 0.00 0.00 66.41 64.35 1uag h THR 36 Cb 1.16 1.67 0.02 0.00 -1.73 0.00 0.00 68.15 69.27 1uag h THR 36 CO 0.09 0.00 0.60 -0.13 -0.25 0.00 0.00 175.52 175.83 1uag s ARG 37 N -3.30 4.43 0.18 4.72 0.52 -1.26 -3.26 118.95 120.98 1uag s ARG 37 Ca 0.06 1.90 -0.13 0.00 -0.52 0.00 0.00 55.73 57.04 1uag s ARG 37 Cb 0.08 -3.27 0.11 0.00 0.52 0.00 0.00 34.95 32.39 1uag s ARG 37 CO 0.60 -0.23 1.82 1.98 0.02 0.00 0.00 175.30 179.49 1uag h MET 38 N 6.04 0.65 -2.75 3.54 1.85 -1.87 -1.75 114.93 120.63 1uag h MET 38 Ca -0.43 -0.04 -0.61 0.00 -0.61 0.00 0.00 59.70 58.01 1uag h MET 38 Cb 1.21 -0.15 -0.40 0.00 0.43 0.00 0.00 31.60 32.70 1uag h MET 38 CO 0.79 0.43 -0.77 0.99 -0.40 0.00 0.00 176.91 177.95 1uag s THR 39 N -6.14 1.64 0.75 -0.77 2.01 -1.26 -4.45 115.64 107.42 1uag s THR 39 Ca -0.13 -3.42 -0.11 0.00 0.31 0.00 0.00 61.69 58.34 1uag s THR 39 Cb 0.13 -2.10 0.04 0.00 0.01 0.00 0.00 72.50 70.59 1uag s THR 39 CO 0.74 -1.10 1.08 -2.16 -0.69 0.00 0.00 174.62 172.49 1uag s PRO 40 N -0.65 2.46 0.34 4.92 0.04 -1.26 -4.94 135.00 135.92 1uag s PRO 40 Ca 0.28 0.94 0.05 0.00 0.04 0.00 0.00 61.00 62.30 1uag s PRO 40 Cb -0.02 -1.94 0.61 0.00 0.04 0.00 0.00 34.50 33.19 1uag s PRO 40 CO -0.17 -1.44 1.87 -1.35 0.04 0.00 0.00 177.00 175.96 1uag h PRO 41 N -0.97 0.50 -0.07 0.56 0.11 -1.98 -2.32 132.00 127.83 1uag h PRO 41 Ca -0.45 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1uag h PRO 41 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1uag h PRO 41 CO 0.56 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.30 1uag n GLY 42 N -0.86 -0.47 0.35 -0.55 0.00 0.01 -4.01 105.19 99.66 1uag n GLY 42 Ca 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 1uag n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1uag h LEU 43 N 0.91 1.08 -1.55 0.99 6.46 -1.61 -2.11 115.31 119.48 1uag h LEU 43 Ca 0.00 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1uag h LEU 43 Cb 0.20 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1uag h LEU 43 CO 0.00 0.79 -0.11 0.44 -0.62 0.00 0.00 178.44 178.94 1uag h ASP 44 N 1.26 0.14 -0.03 1.25 5.19 -1.81 -2.98 116.42 119.43 1uag h ASP 44 Ca 0.34 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1uag h ASP 44 Cb -0.12 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.35 1uag h ASP 44 CO -0.07 0.27 0.00 0.29 -3.12 0.00 0.00 179.24 176.61 1uag n LYS 45 N -4.33 2.32 -2.30 3.56 4.01 -0.82 -4.94 118.16 115.66 1uag n LYS 45 Ca -0.01 -1.92 -0.42 0.00 -0.51 0.00 0.00 58.31 55.45 1uag n LYS 45 Cb 0.23 -1.46 -0.03 0.00 -0.51 0.00 0.00 35.03 33.26 1uag n LYS 45 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1uag s LEU 46 N -2.00 4.33 0.36 -0.35 2.96 -1.08 -4.98 118.68 117.92 1uag s LEU 46 Ca 0.28 2.06 -0.27 0.00 -0.22 0.00 0.00 54.13 55.99 1uag s LEU 46 Cb 0.20 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 43.20 1uag s LEU 46 CO 0.30 -0.63 1.19 -0.81 -1.32 0.00 0.00 176.35 175.08 1uag n PRO 47 N 4.83 1.82 0.28 0.98 -0.04 -1.26 -4.86 135.00 136.75 1uag n PRO 47 Ca 0.12 0.64 0.17 0.00 -0.04 0.00 0.00 63.50 64.39 1uag n PRO 47 Cb 0.44 -2.20 0.76 0.00 -0.04 0.00 0.00 33.50 32.47 1uag n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1uag h GLU 48 N 2.20 0.00 0.00 0.54 5.08 -1.99 -1.46 114.58 118.95 1uag h GLU 48 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1uag h GLU 48 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1uag h GLU 48 CO 0.61 0.03 -0.13 0.00 -1.00 0.00 0.00 179.01 178.52 1uag n ALA 49 N -2.11 2.61 -2.67 3.43 0.00 -1.26 -4.76 120.51 115.75 1uag n ALA 49 Ca -0.00 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 1uag n ALA 49 Cb 0.27 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 1uag n ALA 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1uag s VAL 50 N -3.01 4.99 0.39 0.00 1.01 -0.55 -5.03 120.40 118.19 1uag s VAL 50 Ca 0.13 1.32 -0.26 0.00 0.00 0.00 0.00 61.98 63.18 1uag s VAL 50 Cb 0.18 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1uag s VAL 50 CO 0.58 0.10 1.18 -1.61 0.00 0.00 0.00 175.10 175.35 1uag s GLU 51 N 1.89 4.08 0.03 2.72 2.02 -1.26 -4.95 118.70 123.23 1uag s GLU 51 Ca 0.32 1.88 -0.04 0.00 0.02 0.00 0.00 54.97 57.15 1uag s GLU 51 Cb -0.16 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.34 1uag s GLU 51 CO 0.11 -0.31 0.05 -0.98 0.02 0.00 0.00 175.26 174.16 1uag s ARG 52 N -2.24 0.51 -0.10 1.61 3.03 -1.26 -1.71 118.95 118.80 1uag s ARG 52 Ca 0.56 -0.73 -0.03 0.00 2.03 0.00 0.00 55.73 57.56 1uag s ARG 52 Cb -0.32 0.20 0.05 0.00 -1.03 0.00 0.00 34.95 33.85 1uag s ARG 52 CO 0.40 -0.11 0.14 -1.58 -1.13 0.00 0.00 175.30 173.02 1uag s HIS 53 N -2.34 -0.11 0.25 5.89 2.46 -0.08 -4.96 115.29 116.40 1uag s HIS 53 Ca -0.07 0.43 0.08 0.00 0.47 0.00 0.00 55.06 55.97 1uag s HIS 53 Cb -0.03 -0.35 -0.05 0.00 -0.13 0.00 0.00 32.58 32.02 1uag s HIS 53 CO -0.04 -0.31 -0.13 0.95 -2.47 0.00 0.00 174.74 172.74 1uag s THR 54 N 2.26 1.89 0.00 0.89 -4.23 -1.26 -1.00 115.64 114.19 1uag s THR 54 Ca 0.04 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 1uag s THR 54 Cb -0.13 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1uag s THR 54 CO -0.06 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 1uag n GLY 55 N -0.51 1.14 3.61 3.99 0.00 -0.46 -4.86 105.19 108.09 1uag n GLY 55 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.97 1uag n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uag s SER 56 N -2.93 -0.05 0.28 1.61 1.04 -1.13 -4.79 113.70 107.72 1uag s SER 56 Ca 0.00 -0.09 -0.21 0.00 0.48 0.00 0.00 55.95 56.13 1uag s SER 56 Cb 0.00 0.12 -0.09 0.00 0.10 0.00 0.00 66.02 66.15 1uag s SER 56 CO 0.00 -0.23 0.80 -0.76 0.98 0.00 0.00 173.24 174.03 1uag s LEU 57 N -2.85 4.28 -0.42 2.42 1.43 -1.26 -3.98 118.68 118.30 1uag s LEU 57 Ca 0.14 1.53 -0.13 0.00 -1.03 0.00 0.00 54.13 54.64 1uag s LEU 57 Cb 0.04 -3.83 0.05 0.00 0.03 0.00 0.00 46.19 42.48 1uag s LEU 57 CO -0.04 -0.05 0.28 0.21 0.23 0.00 0.00 176.35 176.98 1uag s ASN 58 N -1.76 5.89 0.40 2.29 3.84 -1.26 -4.95 114.94 119.39 1uag s ASN 58 Ca 0.48 -1.17 0.14 0.00 0.21 0.00 0.00 52.86 52.51 1uag s ASN 58 Cb -0.16 -2.08 0.83 0.00 -0.55 0.00 0.00 41.25 39.29 1uag s ASN 58 CO 0.21 -0.50 1.89 0.44 -2.79 0.00 0.00 177.10 176.35 1uag h ASP 59 N 8.55 0.00 -0.68 -4.21 3.32 -1.96 -0.80 116.42 120.64 1uag h ASP 59 Ca -0.26 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 1uag h ASP 59 Cb 1.10 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 1uag h ASP 59 CO 0.75 0.30 0.17 -0.33 -1.72 0.00 0.00 179.24 178.42 1uag h GLU 60 N 0.00 1.10 -0.21 3.56 5.08 -1.98 0.74 114.58 122.87 1uag h GLU 60 Ca -0.00 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 1uag h GLU 60 Cb 0.54 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1uag h GLU 60 CO 0.04 0.97 -0.31 -1.49 -1.00 0.00 0.00 179.01 177.21 1uag h TRP 61 N 1.04 0.72 -0.13 4.33 4.06 -1.90 -2.87 115.95 121.20 1uag h TRP 61 Ca 0.22 -0.24 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1uag h TRP 61 Cb 0.36 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 1uag h TRP 61 CO 0.03 0.97 0.06 -0.07 -3.56 0.00 0.00 178.44 175.87 1uag h LEU 62 N 0.27 0.18 -0.51 -4.49 3.38 -0.95 -2.58 115.31 110.60 1uag h LEU 62 Ca 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1uag h LEU 62 Cb 0.89 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1uag h LEU 62 CO 0.07 0.26 0.00 0.23 0.09 0.00 0.00 178.44 179.09 1uag n MET 63 N -4.91 0.16 0.00 1.13 2.81 0.24 -2.38 117.12 114.17 1uag n MET 63 Ca -0.05 0.37 0.11 0.00 -1.81 0.00 0.00 57.70 56.32 1uag n MET 63 Cb 0.10 -1.80 0.10 0.00 -0.71 0.00 0.00 33.22 30.91 1uag n MET 63 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1uag n ALA 64 N -1.72 4.01 -1.78 3.04 0.00 -1.00 -4.97 120.51 118.07 1uag n ALA 64 Ca 0.03 -0.45 -0.37 0.00 0.00 0.00 0.00 53.44 52.65 1uag n ALA 64 Cb 0.24 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 1uag n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uag s ALA 65 N -3.01 3.12 -0.05 0.00 0.00 -1.00 -4.89 121.76 115.92 1uag s ALA 65 Ca 0.10 0.70 0.13 0.00 0.00 0.00 0.00 51.96 52.88 1uag s ALA 65 Cb 0.17 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1uag s ALA 65 CO 0.77 -0.17 1.19 -0.44 0.00 0.00 0.00 175.76 177.10 1uag h ASP 66 N 2.64 0.00 -3.27 0.00 3.32 -1.12 -3.47 116.42 114.52 1uag h ASP 66 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1uag h ASP 66 Cb 1.21 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.49 1uag h ASP 66 CO 0.63 0.73 -0.32 -0.22 -1.72 0.00 0.00 179.24 178.33 1uag s LEU 67 N -6.37 0.00 -0.19 1.55 0.20 -0.99 -4.13 118.68 108.75 1uag s LEU 67 Ca 0.01 0.84 -0.03 0.00 0.69 0.00 0.00 54.13 55.64 1uag s LEU 67 Cb 0.09 1.26 -0.01 0.00 -0.43 0.00 0.00 46.19 47.10 1uag s LEU 67 CO 0.79 -0.19 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.97 1uag s ILE 68 N 1.33 3.38 -0.37 6.68 1.01 -0.06 -1.62 121.20 131.55 1uag s ILE 68 Ca -0.09 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 59.94 1uag s ILE 68 Cb -0.08 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.92 1uag s ILE 68 CO -0.12 0.46 0.19 -0.69 0.00 0.00 0.00 174.94 174.79 1uag s VAL 69 N 1.00 4.42 -0.28 2.92 1.01 0.12 -1.30 120.40 128.29 1uag s VAL 69 Ca -0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1uag s VAL 69 Cb -0.15 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1uag s VAL 69 CO -0.00 -0.24 0.20 0.00 0.00 0.00 0.00 175.10 175.06 1uag s ALA 70 N 1.52 3.53 0.77 5.51 0.00 0.83 -0.74 121.76 133.19 1uag s ALA 70 Ca 0.01 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 1uag s ALA 70 Cb -0.19 -2.48 0.06 0.00 0.00 0.00 0.00 23.12 20.51 1uag s ALA 70 CO 0.06 -0.54 1.19 -1.12 0.00 0.00 0.00 175.76 175.35 1uag s SER 71 N 1.74 3.92 0.53 0.00 0.01 -0.25 -4.28 113.70 115.37 1uag s SER 71 Ca 0.07 2.32 0.35 0.00 1.31 0.00 0.00 55.95 60.00 1uag s SER 71 Cb -0.16 -2.58 1.74 0.00 0.21 0.00 0.00 66.02 65.22 1uag s SER 71 CO 0.11 -2.45 2.06 1.55 0.41 0.00 0.00 173.24 174.93 1uag h PRO 72 N -0.66 0.00 -0.00 12.44 0.13 -1.89 -2.40 132.00 139.62 1uag h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1uag h PRO 72 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1uag h PRO 72 CO 0.48 0.00 -0.01 0.41 -0.23 0.00 0.00 178.00 178.65 1uag n GLY 73 N -0.64 -0.88 3.46 1.56 0.00 -1.26 -4.68 105.19 102.74 1uag n GLY 73 Ca -0.01 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1uag n GLY 73 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uag s ILE 74 N -2.08 3.60 0.19 -0.61 1.10 -0.90 -5.10 121.20 117.40 1uag s ILE 74 Ca 0.44 -0.47 -0.30 0.00 -0.51 0.00 0.00 60.65 59.81 1uag s ILE 74 Cb 0.22 -2.55 -0.08 0.00 0.15 0.00 0.00 42.46 40.19 1uag s ILE 74 CO 0.38 0.51 1.25 0.00 -2.11 0.00 0.00 174.94 174.96 1uag s ALA 75 N 0.32 3.48 0.55 1.50 0.00 -1.26 -4.88 121.76 121.47 1uag s ALA 75 Ca -0.06 1.02 0.26 0.00 0.00 0.00 0.00 51.96 53.18 1uag s ALA 75 Cb -0.15 -3.45 1.64 0.00 0.00 0.00 0.00 23.12 21.17 1uag s ALA 75 CO 0.04 -0.45 2.20 -0.07 0.00 0.00 0.00 175.76 177.48 1uag h LEU 76 N 5.30 0.00 0.00 0.00 3.38 -1.95 -1.48 115.31 120.55 1uag h LEU 76 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1uag h LEU 76 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1uag h LEU 76 CO 0.76 0.02 0.00 0.00 0.09 0.00 0.00 178.44 179.31 1uag n ALA 77 N -2.36 2.51 -1.69 1.53 0.00 -1.26 -3.34 120.51 115.90 1uag n ALA 77 Ca -0.03 -0.17 -0.44 0.00 0.00 0.00 0.00 53.44 52.80 1uag n ALA 77 Cb 0.11 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.08 1uag n ALA 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1uag n HIS 78 N -1.01 2.48 -0.11 0.00 -0.00 -0.56 -4.73 115.22 111.29 1uag n HIS 78 Ca 0.20 0.15 0.14 0.00 -0.00 0.00 0.00 57.72 58.21 1uag n HIS 78 Cb 0.10 -2.61 0.51 0.00 -0.00 0.00 0.00 29.99 27.99 1uag n HIS 78 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1uag h PRO 79 N 6.47 0.38 -0.32 1.57 0.13 -1.90 0.17 132.00 138.50 1uag h PRO 79 Ca -0.44 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1uag h PRO 79 Cb 1.23 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1uag h PRO 79 CO 0.92 0.25 -0.08 0.77 -0.23 0.00 0.00 178.00 179.63 1uag h SER 80 N 0.39 0.50 0.49 1.44 0.02 -1.94 -0.99 113.55 113.47 1uag h SER 80 Ca 0.31 -0.12 -0.30 0.00 -0.84 0.00 0.00 61.79 60.85 1uag h SER 80 Cb 0.69 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1uag h SER 80 CO -0.09 0.63 -1.53 0.25 -1.14 0.00 0.00 176.83 174.96 1uag h LEU 81 N 0.49 0.30 -0.97 5.07 5.85 -1.24 -3.05 115.31 121.76 1uag h LEU 81 Ca 0.10 -0.43 -0.09 0.00 0.84 0.00 0.00 57.88 58.29 1uag h LEU 81 Cb 0.45 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1uag h LEU 81 CO 0.02 1.37 -0.28 0.77 -0.34 0.00 0.00 178.44 179.98 1uag h SER 82 N 0.05 0.42 -0.24 1.25 4.64 -0.67 -1.38 113.55 117.62 1uag h SER 82 Ca -0.23 -0.14 0.03 0.00 -0.47 0.00 0.00 61.79 60.97 1uag h SER 82 Cb 1.99 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.94 1uag h SER 82 CO 0.14 0.69 0.06 0.00 -0.87 0.00 0.00 176.83 176.85 1uag h ALA 83 N 1.35 0.26 -0.53 5.18 0.00 -1.22 0.11 119.26 124.41 1uag h ALA 83 Ca 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1uag h ALA 83 Cb 0.68 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1uag h ALA 83 CO 0.05 -0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.16 1uag h ALA 84 N 1.17 0.69 -0.94 0.00 0.00 -1.39 -1.00 119.26 117.79 1uag h ALA 84 Ca 0.11 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1uag h ALA 84 Cb 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1uag h ALA 84 CO -0.13 0.29 0.62 0.00 0.00 0.00 0.00 179.25 180.03 1uag h ALA 85 N 1.06 1.22 0.00 0.00 0.00 -1.12 -0.80 119.26 119.62 1uag h ALA 85 Ca 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1uag h ALA 85 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1uag h ALA 85 CO -0.01 0.54 -0.21 -0.44 0.00 0.00 0.00 179.25 179.13 1uag h ASP 86 N 1.24 0.00 -0.01 0.00 3.32 -0.14 0.26 116.42 121.09 1uag h ASP 86 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1uag h ASP 86 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1uag h ASP 86 CO -0.10 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1uag n ALA 87 N -2.47 2.63 -0.98 3.45 0.00 -0.44 -4.90 120.51 117.80 1uag n ALA 87 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1uag n ALA 87 Cb 0.27 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1uag n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uag n GLY 88 N 0.89 0.41 3.69 0.00 0.00 0.08 -5.01 105.19 105.26 1uag n GLY 88 Ca 0.17 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1uag n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uag s ILE 89 N -2.00 5.00 0.24 -0.61 1.01 -0.41 -4.99 121.20 119.44 1uag s ILE 89 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.78 1uag s ILE 89 Cb 0.00 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 1uag s ILE 89 CO 0.00 0.16 1.44 -0.70 0.00 0.00 0.00 174.94 175.84 1uag s GLU 90 N 1.39 4.27 -0.10 2.79 2.12 -1.26 -4.26 118.70 123.65 1uag s GLU 90 Ca 0.36 2.28 -0.01 0.00 0.36 0.00 0.00 54.97 57.96 1uag s GLU 90 Cb -0.17 -3.12 0.03 0.00 0.26 0.00 0.00 34.13 31.12 1uag s GLU 90 CO 0.15 -0.42 -0.06 0.42 -0.54 0.00 0.00 175.26 174.81 1uag s ILE 91 N 0.10 0.87 0.31 -3.70 1.01 -1.26 -0.88 121.20 117.65 1uag s ILE 91 Ca 0.60 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 61.10 1uag s ILE 91 Cb -0.41 -0.92 -0.06 0.00 0.01 0.00 0.00 42.46 41.07 1uag s ILE 91 CO 0.42 0.34 0.02 0.68 0.00 0.00 0.00 174.94 176.40 1uag s VAL 92 N 1.75 1.33 0.02 2.92 -7.23 -0.42 -4.97 120.40 113.81 1uag s VAL 92 Ca 0.05 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1uag s VAL 92 Cb -0.13 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1uag s VAL 92 CO -0.07 -0.11 0.01 0.61 -0.31 0.00 0.00 175.10 175.23 1uag n GLY 93 N -0.65 3.58 0.19 2.32 0.00 -1.17 -0.12 105.19 109.34 1uag n GLY 93 Ca -0.03 -2.20 -0.04 0.00 0.00 0.00 0.00 46.02 43.75 1uag n GLY 93 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1uag h ASP 94 N 0.04 0.28 0.11 1.61 2.03 -1.92 -2.51 116.42 116.06 1uag h ASP 94 Ca -0.02 -0.14 -0.08 0.00 -0.73 0.00 0.00 57.03 56.07 1uag h ASP 94 Cb 0.05 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.46 1uag h ASP 94 CO 0.03 0.73 -0.27 0.40 -1.03 0.00 0.00 179.24 179.10 1uag h ILE 95 N 0.21 1.25 -0.35 4.15 1.08 -1.93 -0.23 117.51 121.69 1uag h ILE 95 Ca 0.01 -1.16 -0.06 0.00 -0.39 0.00 0.00 64.86 63.26 1uag h ILE 95 Cb 0.94 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 1uag h ILE 95 CO 0.08 0.35 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.78 1uag h GLU 96 N 0.23 0.64 -0.78 2.37 4.57 -1.72 -0.36 114.58 119.53 1uag h GLU 96 Ca 0.04 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 1uag h GLU 96 Cb 0.60 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 1uag h GLU 96 CO 0.04 0.78 0.35 -0.07 -1.18 0.00 0.00 179.01 178.93 1uag h LEU 97 N 0.44 1.04 -0.07 1.64 3.38 -1.01 -2.61 115.31 118.12 1uag h LEU 97 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1uag h LEU 97 Cb 0.51 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1uag h LEU 97 CO 0.02 0.90 0.04 0.15 0.09 0.00 0.00 178.44 179.65 1uag h PHE 98 N 1.11 0.10 -0.27 1.13 3.57 -0.81 -3.02 116.94 118.74 1uag h PHE 98 Ca 0.27 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.78 1uag h PHE 98 Cb 0.16 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1uag h PHE 98 CO 0.01 0.15 0.18 0.00 -2.23 0.00 0.00 178.31 176.43 1uag h ARG 100 N 0.30 0.00 0.00 0.00 3.08 -1.39 -3.27 114.38 113.10 1uag h ARG 100 Ca 0.11 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.79 1uag h ARG 100 Cb 0.06 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 1uag h ARG 100 CO -0.02 0.35 -2.37 0.39 -1.07 0.00 0.00 179.97 177.24 1uag n GLU 101 N -3.77 0.73 -2.00 0.04 -0.58 -0.46 -4.03 120.64 110.59 1uag n GLU 101 Ca -0.01 -0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.31 1uag n GLU 101 Cb 0.44 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 29.77 1uag n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uag s ALA 102 N -2.48 3.61 -0.23 0.62 0.00 0.61 -4.95 121.76 118.94 1uag s ALA 102 Ca -0.10 1.35 0.12 0.00 0.00 0.00 0.00 51.96 53.33 1uag s ALA 102 Cb 0.06 -3.55 0.45 0.00 0.00 0.00 0.00 23.12 20.07 1uag s ALA 102 CO 0.82 -0.77 1.19 1.04 0.00 0.00 0.00 175.76 178.04 1uag n GLN 103 N 1.92 2.29 -3.95 0.00 1.13 -1.26 -4.99 117.38 112.52 1uag n GLN 103 Ca 0.05 -3.56 -0.08 0.00 -1.94 0.00 0.00 57.00 51.47 1uag n GLN 103 Cb 0.40 -1.74 -0.08 0.00 0.11 0.00 0.00 30.24 28.93 1uag n GLN 103 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1uag s ALA 104 N -3.14 0.06 0.56 -1.58 0.00 -1.26 -5.01 121.76 111.39 1uag s ALA 104 Ca 0.42 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 1uag s ALA 104 Cb 0.38 0.42 -0.06 0.00 0.00 0.00 0.00 23.12 23.86 1uag s ALA 104 CO -0.03 -0.46 1.03 -2.30 0.00 0.00 0.00 175.76 174.00 1uag n PRO 105 N -0.00 1.11 -4.96 0.00 -0.02 -1.26 -4.71 135.00 125.16 1uag n PRO 105 Ca -0.14 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 1uag n PRO 105 Cb 0.62 -2.20 -0.17 0.00 -0.02 0.00 0.00 33.50 31.73 1uag n PRO 105 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1uag s ILE 106 N -1.44 2.02 -0.25 4.25 1.01 -1.26 -0.52 121.20 125.02 1uag s ILE 106 Ca 0.72 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 1uag s ILE 106 Cb -0.44 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 1uag s ILE 106 CO 0.49 0.55 0.17 -0.69 0.00 0.00 0.00 174.94 175.46 1uag s VAL 107 N 0.56 5.35 -0.11 2.92 1.01 0.56 -0.79 120.40 129.90 1uag s VAL 107 Ca -0.14 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1uag s VAL 107 Cb -0.17 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1uag s VAL 107 CO 0.04 0.33 -0.20 0.00 0.00 0.00 0.00 175.10 175.27 1uag s ALA 108 N 1.20 2.32 -0.08 5.51 0.00 -0.52 -0.30 121.76 129.89 1uag s ALA 108 Ca 0.07 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1uag s ALA 108 Cb -0.14 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1uag s ALA 108 CO 0.06 0.27 -0.06 0.42 0.00 0.00 0.00 175.76 176.45 1uag s ILE 109 N 0.35 0.81 0.27 0.00 1.01 0.51 -1.96 121.20 122.18 1uag s ILE 109 Ca -0.16 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1uag s ILE 109 Cb -0.17 -0.84 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1uag s ILE 109 CO 0.08 0.32 0.12 0.28 0.00 0.00 0.00 174.94 175.73 1uag s THR 110 N 1.45 0.44 0.00 2.92 -1.32 -0.59 -0.23 115.64 118.31 1uag s THR 110 Ca -0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.47 1uag s THR 110 Cb -0.13 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.27 1uag s THR 110 CO -0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 1uag n GLY 111 N -0.49 2.94 0.20 6.08 0.00 -1.26 -0.96 105.19 111.71 1uag n GLY 111 Ca 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.11 1uag n GLY 111 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uag h SER 112 N 0.00 0.00 -4.67 1.61 0.02 -1.65 -3.45 113.55 105.41 1uag h SER 112 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1uag h SER 112 Cb 0.00 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.34 1uag h SER 112 CO 0.00 0.20 -0.02 0.21 -1.14 0.00 0.00 176.83 176.08 1uag s ASN 113 N -6.23 -0.50 0.00 3.07 2.47 -1.26 -4.78 114.94 107.72 1uag s ASN 113 Ca 0.04 0.66 0.00 0.00 0.42 0.00 0.00 52.86 53.98 1uag s ASN 113 Cb 0.07 0.66 0.00 0.00 -1.45 0.00 0.00 41.25 40.53 1uag s ASN 113 CO 0.67 -0.44 0.00 0.61 -3.72 0.00 0.00 177.10 174.23 1uag n GLY 114 N 1.58 0.60 0.37 1.21 0.00 -1.26 -4.69 105.19 103.00 1uag n GLY 114 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1uag n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uag h LYS 115 N 3.63 -0.56 -0.16 1.61 1.57 -1.89 -0.61 116.57 120.16 1uag h LYS 115 Ca 0.00 0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1uag h LYS 115 Cb 0.00 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1uag h LYS 115 CO 0.00 -0.38 -0.55 0.77 -0.57 0.00 0.00 179.45 178.73 1uag h SER 116 N -0.59 0.52 -0.01 0.86 0.02 -1.95 -0.53 113.55 111.87 1uag h SER 116 Ca 0.03 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1uag h SER 116 Cb 0.62 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1uag h SER 116 CO -0.21 0.97 0.01 0.74 -1.14 0.00 0.00 176.83 177.19 1uag h THR 117 N 0.36 1.02 -0.40 -2.27 2.02 -1.95 -0.58 112.91 111.11 1uag h THR 117 Ca 0.01 -0.06 -0.14 0.00 0.77 0.00 0.00 66.41 66.99 1uag h THR 117 Cb 1.07 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1uag h THR 117 CO 0.10 0.02 -0.30 0.58 0.37 0.00 0.00 175.52 176.28 1uag h VAL 118 N -0.00 1.27 -0.05 3.16 2.07 -1.08 -0.46 116.25 121.17 1uag h VAL 118 Ca 0.01 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.07 1uag h VAL 118 Cb 0.02 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1uag h VAL 118 CO -0.00 0.49 -0.02 0.74 0.02 0.00 0.00 177.57 178.80 1uag h THR 119 N 0.75 0.93 -0.60 2.57 2.02 -1.03 -0.85 112.91 116.70 1uag h THR 119 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1uag h THR 119 Cb 0.87 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1uag h THR 119 CO 0.08 0.00 0.30 0.74 0.37 0.00 0.00 175.52 177.00 1uag h THR 120 N -0.02 1.21 -0.39 3.16 2.02 -1.02 -1.38 112.91 116.49 1uag h THR 120 Ca 0.03 -0.58 0.03 0.00 0.77 0.00 0.00 66.41 66.66 1uag h THR 120 Cb 0.06 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1uag h THR 120 CO -0.06 0.24 0.20 -0.07 0.37 0.00 0.00 175.52 176.20 1uag h LEU 121 N 0.81 0.29 -0.96 2.58 3.38 -0.82 0.45 115.31 121.05 1uag h LEU 121 Ca 0.21 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1uag h LEU 121 Cb 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1uag h LEU 121 CO -0.03 0.21 0.58 0.58 0.09 0.00 0.00 178.44 179.88 1uag h VAL 122 N 0.40 1.26 -0.79 1.22 2.07 -0.89 -0.16 116.25 119.36 1uag h VAL 122 Ca 0.16 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1uag h VAL 122 Cb 0.06 -0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 29.69 1uag h VAL 122 CO -0.11 0.27 0.51 1.23 0.02 0.00 0.00 177.57 179.49 1uag h GLY 123 N 1.32 1.14 1.32 2.17 0.00 -0.63 -1.14 103.07 107.25 1uag h GLY 123 Ca 0.34 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 1uag h GLY 123 CO -0.07 0.34 -0.15 0.83 0.00 0.00 0.00 176.54 177.50 1uag h GLU 124 N 1.00 0.80 -0.79 4.80 4.39 -0.17 -1.39 114.58 123.23 1uag h GLU 124 Ca 0.31 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1uag h GLU 124 Cb -0.02 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1uag h GLU 124 CO -0.10 0.90 0.31 0.52 -1.16 0.00 0.00 179.01 179.48 1uag h MET 125 N 0.71 1.17 0.00 2.33 2.86 -0.70 0.67 114.93 121.98 1uag h MET 125 Ca 0.11 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1uag h MET 125 Cb 0.65 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1uag h MET 125 CO 0.05 0.95 -0.00 0.00 1.06 0.00 0.00 176.91 178.96 1uag h ALA 126 N 1.19 -0.00 -0.85 6.32 0.00 -0.79 -2.33 119.26 122.79 1uag h ALA 126 Ca 0.26 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1uag h ALA 126 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1uag h ALA 126 CO -0.02 -0.39 0.52 0.87 0.00 0.00 0.00 179.25 180.24 1uag h LYS 127 N -0.23 0.92 0.00 0.00 1.57 -1.12 0.09 116.57 117.80 1uag h LYS 127 Ca -0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1uag h LYS 127 Cb 0.23 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1uag h LYS 127 CO 0.00 0.61 -0.10 0.00 -0.57 0.00 0.00 179.45 179.39 1uag h ALA 128 N 1.41 1.71 -0.00 3.86 0.00 -0.65 -0.95 119.26 124.63 1uag h ALA 128 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1uag h ALA 128 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1uag h ALA 128 CO -0.18 0.12 -0.07 0.00 0.00 0.00 0.00 179.25 179.12 1uag n ALA 129 N -2.46 2.69 -1.00 0.00 0.00 -0.06 -4.91 120.51 114.77 1uag n ALA 129 Ca -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.17 1uag n ALA 129 Cb 0.18 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 1uag n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uag n GLY 130 N 1.24 0.40 3.73 0.00 0.00 -0.36 -5.03 105.19 105.18 1uag n GLY 130 Ca 0.16 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1uag n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uag s VAL 131 N -2.00 4.93 -0.44 1.61 1.01 -0.72 -4.99 120.40 119.79 1uag s VAL 131 Ca 0.00 1.47 -0.28 0.00 0.00 0.00 0.00 61.98 63.17 1uag s VAL 131 Cb 0.00 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1uag s VAL 131 CO 0.00 0.31 1.67 0.21 0.00 0.00 0.00 175.10 177.30 1uag s ASN 132 N 0.38 5.88 -0.03 3.32 3.04 -1.26 -4.08 114.94 122.18 1uag s ASN 132 Ca 0.37 0.84 0.07 0.00 0.04 0.00 0.00 52.86 54.17 1uag s ASN 132 Cb -0.19 -2.53 -0.02 0.00 -1.54 0.00 0.00 41.25 36.98 1uag s ASN 132 CO 0.19 -1.80 -0.25 0.54 -3.04 0.00 0.00 177.10 172.74 1uag s VAL 133 N 6.96 1.98 -0.22 -5.21 0.11 -1.26 0.26 120.40 123.02 1uag s VAL 133 Ca 0.69 -1.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.63 1uag s VAL 133 Cb -0.17 -1.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.01 1uag s VAL 133 CO 0.29 0.56 -0.00 -0.83 -3.33 0.00 0.00 175.10 171.79 1uag s GLY 134 N -0.43 1.68 -0.18 6.54 0.00 0.05 -4.97 107.32 110.01 1uag s GLY 134 Ca 0.05 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 1uag s GLY 134 CO 0.01 0.38 -0.08 0.14 0.00 0.00 0.00 173.10 173.55 1uag s VAL 135 N 1.34 3.27 0.00 1.40 1.01 -1.26 -0.40 120.40 125.76 1uag s VAL 135 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1uag s VAL 135 Cb -0.15 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1uag s VAL 135 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1uag n GLY 136 N 4.24 2.14 0.49 4.51 0.00 -0.81 -4.83 105.19 110.92 1uag n GLY 136 Ca -0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1uag n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uag n GLY 137 N 0.00 1.05 0.30 -0.02 0.00 0.70 -1.91 105.19 105.32 1uag n GLY 137 Ca 0.00 -1.58 0.19 0.00 0.00 0.00 0.00 46.02 44.63 1uag n GLY 137 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1uag h ASN 138 N 0.63 0.00 -0.08 1.61 -1.24 -0.85 -0.96 115.58 114.69 1uag h ASN 138 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 1uag h ASN 138 Cb 0.00 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1uag h ASN 138 CO 0.00 0.01 0.11 -0.29 -1.29 0.00 0.00 177.43 175.97 1uag h ILE 139 N 0.00 0.39 0.00 2.57 2.10 -1.76 -3.45 117.51 117.36 1uag h ILE 139 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1uag h ILE 139 Cb 0.32 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 1uag h ILE 139 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 1uag n GLY 140 N -1.32 0.94 3.47 8.18 0.00 -0.37 -5.10 105.19 110.99 1uag n GLY 140 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1uag n GLY 140 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uag s LEU 141 N 0.00 4.99 0.01 0.99 2.96 -1.21 -4.94 118.68 121.48 1uag s LEU 141 Ca 0.00 -0.80 -0.36 0.00 -0.22 0.00 0.00 54.13 52.75 1uag s LEU 141 Cb 0.00 -2.34 -0.15 0.00 0.50 0.00 0.00 46.19 44.20 1uag s LEU 141 CO 0.00 -0.60 1.58 -2.65 -1.32 0.00 0.00 176.35 173.36 1uag n PRO 142 N 5.55 1.63 -0.34 0.98 -0.02 -1.26 -0.21 135.00 141.33 1uag n PRO 142 Ca -0.08 0.59 0.19 0.00 -2.02 0.00 0.00 63.50 62.18 1uag n PRO 142 Cb 0.47 -2.32 0.42 0.00 -0.02 0.00 0.00 33.50 32.05 1uag n PRO 142 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uag h ALA 143 N 6.26 1.94 0.00 3.55 0.00 -1.91 -0.35 119.26 128.75 1uag h ALA 143 Ca -0.47 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1uag h ALA 143 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1uag h ALA 143 CO 0.87 -0.36 -0.05 -0.07 0.00 0.00 0.00 179.25 179.64 1uag h LEU 144 N 0.55 0.00 0.00 0.00 3.38 -1.88 0.16 115.31 117.51 1uag h LEU 144 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 1uag h LEU 144 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1uag h LEU 144 CO -0.39 0.05 0.00 0.23 0.09 0.00 0.00 178.44 178.43 1uag n MET 145 N -3.57 0.33 0.14 1.13 2.81 -0.14 -2.92 117.12 114.90 1uag n MET 145 Ca -0.02 0.05 0.10 0.00 -1.81 0.00 0.00 57.70 56.01 1uag n MET 145 Cb 0.17 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.23 1uag n MET 145 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1uag h LEU 146 N 0.00 0.00 -9.31 4.03 3.38 -0.76 -3.47 115.31 109.17 1uag h LEU 146 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1uag h LEU 146 Cb 0.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.03 1uag h LEU 146 CO 0.00 0.08 1.25 0.18 0.09 0.00 0.00 178.44 180.03 1uag n LEU 147 N -2.88 4.01 -3.67 1.67 4.77 -1.15 -4.92 117.00 114.83 1uag n LEU 147 Ca 0.01 0.85 -0.09 0.00 -0.03 0.00 0.00 56.01 56.74 1uag n LEU 147 Cb 0.58 -1.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.06 1uag n LEU 147 CO 0.38 0.10 0.18 -0.62 -1.33 0.00 0.00 177.39 176.10 1uag s ASP 148 N 4.78 -0.70 0.45 -1.43 2.15 -1.26 -5.04 116.67 115.62 1uag s ASP 148 Ca 0.91 1.16 0.30 0.00 0.43 0.00 0.00 52.55 55.34 1uag s ASP 148 Cb -0.46 1.03 1.21 0.00 -0.30 0.00 0.00 42.92 44.41 1uag s ASP 148 CO 0.43 -0.21 1.89 0.44 -0.17 0.00 0.00 175.17 177.54 1uag h ASP 149 N 7.06 0.00 0.66 -0.34 3.32 -2.00 -1.64 116.42 123.47 1uag h ASP 149 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1uag h ASP 149 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1uag h ASP 149 CO 0.24 0.00 -0.30 -0.62 -1.72 0.00 0.00 179.24 176.84 1uag n GLU 150 N -2.80 0.06 -2.28 3.56 -0.58 -1.26 -4.88 120.64 112.46 1uag n GLU 150 Ca 0.01 -0.02 -0.41 0.00 -0.42 0.00 0.00 57.16 56.32 1uag n GLU 150 Cb 0.29 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.63 1uag n GLU 150 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uag n GLU 152 N 2.30 1.45 -3.67 0.00 1.02 0.14 -4.66 120.64 117.22 1uag n GLU 152 Ca 0.04 -0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 57.00 1uag n GLU 152 Cb 0.43 -1.19 -0.08 0.00 -0.02 0.00 0.00 31.44 30.58 1uag n GLU 152 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1uag s LEU 153 N -3.33 -0.41 -0.12 -4.62 2.96 -1.01 -4.22 118.68 107.94 1uag s LEU 153 Ca -0.01 1.22 -0.02 0.00 -0.22 0.00 0.00 54.13 55.11 1uag s LEU 153 Cb 0.08 2.01 -0.03 0.00 0.50 0.00 0.00 46.19 48.75 1uag s LEU 153 CO 0.48 -0.21 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.94 1uag s TYR 154 N 0.82 3.00 -0.26 5.38 2.02 0.33 -0.77 117.35 127.87 1uag s TYR 154 Ca -0.04 -0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1uag s TYR 154 Cb -0.05 -1.86 0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1uag s TYR 154 CO -0.07 0.11 -0.05 0.08 -1.57 0.00 0.00 175.55 174.06 1uag s VAL 155 N -0.11 2.87 -0.20 0.71 1.01 0.46 -0.32 120.40 124.82 1uag s VAL 155 Ca 0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 1uag s VAL 155 Cb -0.13 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1uag s VAL 155 CO 0.03 0.13 -0.03 -0.76 0.00 0.00 0.00 175.10 174.47 1uag s LEU 156 N 1.30 3.09 -0.05 3.92 1.43 0.59 -1.92 118.68 127.04 1uag s LEU 156 Ca -0.01 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.57 1uag s LEU 156 Cb -0.17 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1uag s LEU 156 CO -0.04 0.06 0.79 -0.70 0.23 0.00 0.00 176.35 176.69 1uag s GLU 157 N 1.04 4.46 -0.05 1.70 2.12 -0.80 -0.36 118.70 126.81 1uag s GLU 157 Ca 0.01 1.05 0.04 0.00 0.36 0.00 0.00 54.97 56.43 1uag s GLU 157 Cb -0.15 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.78 1uag s GLU 157 CO 0.01 0.00 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.06 1uag s LEU 158 N 0.97 1.88 0.56 2.70 1.43 0.68 -0.15 118.68 126.74 1uag s LEU 158 Ca 0.42 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 1uag s LEU 158 Cb -0.19 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.13 1uag s LEU 158 CO 0.21 0.13 0.82 -0.94 0.23 0.00 0.00 176.35 176.80 1uag s SER 159 N 0.13 5.46 0.44 2.29 1.04 -1.26 -4.21 113.70 117.60 1uag s SER 159 Ca -0.05 0.38 0.10 0.00 0.48 0.00 0.00 55.95 56.85 1uag s SER 159 Cb -0.12 -1.36 0.97 0.00 0.10 0.00 0.00 66.02 65.61 1uag s SER 159 CO 0.02 -1.06 2.08 0.77 0.98 0.00 0.00 173.24 176.03 1uag h SER 160 N -0.02 0.34 -0.18 7.02 4.64 -1.92 -1.89 113.55 121.55 1uag h SER 160 Ca -0.45 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1uag h SER 160 Cb 1.27 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1uag h SER 160 CO 0.58 0.25 0.05 -0.26 -0.87 0.00 0.00 176.83 176.58 1uag h PHE 161 N 0.41 0.29 -0.83 4.77 0.04 -1.93 -1.39 116.94 118.29 1uag h PHE 161 Ca 0.11 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1uag h PHE 161 Cb -0.03 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 1uag h PHE 161 CO -0.00 0.39 0.44 1.96 -0.60 0.00 0.00 178.31 180.50 1uag h GLN 162 N 0.10 1.17 -0.28 1.51 4.20 -1.81 -2.94 115.11 117.06 1uag h GLN 162 Ca 0.06 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 1uag h GLN 162 Cb 0.24 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1uag h GLN 162 CO -0.00 0.87 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.90 1uag h LEU 163 N 1.16 0.42 -1.55 1.46 3.38 -1.04 -2.81 115.31 116.33 1uag h LEU 163 Ca 0.29 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.32 1uag h LEU 163 Cb 0.05 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1uag h LEU 163 CO -0.04 0.53 0.50 -0.33 0.09 0.00 0.00 178.44 179.19 1uag h GLU 164 N 0.43 0.44 -0.50 1.13 5.08 -1.07 -2.18 114.58 117.91 1uag h GLU 164 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1uag h GLU 164 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1uag h GLU 164 CO 0.02 0.29 0.00 0.25 -1.00 0.00 0.00 179.01 178.57 1uag n THR 165 N -4.49 1.56 -4.63 1.13 -2.24 -1.07 -4.93 114.28 99.61 1uag n THR 165 Ca 0.14 -1.24 -0.33 0.00 -2.27 0.00 0.00 64.05 60.35 1uag n THR 165 Cb 0.51 0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.82 1uag n THR 165 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1uag s THR 166 N -1.66 3.44 0.00 4.28 2.01 -0.82 -3.03 115.64 119.86 1uag s THR 166 Ca 0.41 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1uag s THR 166 Cb 0.26 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1uag s THR 166 CO 0.20 0.53 0.00 -1.54 -0.69 0.00 0.00 174.62 173.12 1uag n SER 167 N 3.27 1.09 -0.83 3.53 3.41 -1.26 -4.82 113.62 118.00 1uag n SER 167 Ca -0.18 -0.17 0.07 0.00 -0.26 0.00 0.00 58.87 58.33 1uag n SER 167 Cb 0.53 0.56 0.20 0.00 -0.26 0.00 0.00 64.21 65.23 1uag n SER 167 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uag n SER 168 N -0.67 3.27 -4.66 4.04 7.64 -1.26 -4.96 113.62 117.02 1uag n SER 168 Ca 0.00 -2.09 -0.43 0.00 1.01 0.00 0.00 58.87 57.37 1uag n SER 168 Cb 0.00 -0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 62.86 1uag n SER 168 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1uag s LEU 169 N -1.16 4.18 -0.61 -3.43 2.96 -1.26 -4.82 118.68 114.53 1uag s LEU 169 Ca 0.31 1.64 0.05 0.00 -0.22 0.00 0.00 54.13 55.90 1uag s LEU 169 Cb 0.17 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.48 1uag s LEU 169 CO 0.19 -0.71 0.43 -1.10 -1.32 0.00 0.00 176.35 173.84 1uag s GLN 170 N 3.25 2.02 0.45 1.98 -0.21 -1.26 -4.63 119.66 121.26 1uag s GLN 170 Ca 0.53 -2.96 -0.25 0.00 0.02 0.00 0.00 55.36 52.70 1uag s GLN 170 Cb -0.21 -2.90 -0.08 0.00 1.00 0.00 0.00 33.01 30.83 1uag s GLN 170 CO 0.14 -1.29 1.37 0.00 -2.12 0.00 0.00 175.29 173.39 1uag s ALA 171 N -0.96 3.18 0.28 6.09 0.00 -1.26 -4.76 121.76 124.34 1uag s ALA 171 Ca 0.26 1.37 0.18 0.00 0.00 0.00 0.00 51.96 53.76 1uag s ALA 171 Cb -0.05 -3.55 0.82 0.00 0.00 0.00 0.00 23.12 20.34 1uag s ALA 171 CO -0.16 -1.10 1.82 -0.24 0.00 0.00 0.00 175.76 176.08 1uag h VAL 172 N 2.22 0.97 -2.32 0.00 3.04 -1.31 0.15 116.25 119.00 1uag h VAL 172 Ca -0.50 -1.30 -0.06 0.00 -1.01 0.00 0.00 66.70 63.83 1uag h VAL 172 Cb 1.26 1.76 -0.23 0.00 -2.01 0.00 0.00 31.29 32.07 1uag h VAL 172 CO 0.61 0.33 -0.10 0.00 -1.01 0.00 0.00 177.57 177.40 1uag s ALA 173 N -3.89 -1.46 -0.00 3.17 0.00 -1.24 -1.99 121.76 116.34 1uag s ALA 173 Ca -0.01 1.88 0.01 0.00 0.00 0.00 0.00 51.96 53.84 1uag s ALA 173 Cb 0.12 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 1uag s ALA 173 CO 0.68 -0.31 -0.03 0.00 0.00 0.00 0.00 175.76 176.11 1uag s ALA 174 N 1.14 0.24 0.01 0.00 0.00 -0.47 -1.44 121.76 121.23 1uag s ALA 174 Ca -0.07 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.80 1uag s ALA 174 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1uag s ALA 174 CO -0.11 0.06 -0.06 -0.08 0.00 0.00 0.00 175.76 175.56 1uag s THR 175 N -0.05 0.48 -0.31 0.00 -1.32 -0.83 -0.12 115.64 113.49 1uag s THR 175 Ca 0.01 -0.43 -0.09 0.00 -1.21 0.00 0.00 61.69 59.97 1uag s THR 175 Cb -0.01 -0.44 -0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1uag s THR 175 CO -0.00 0.02 0.15 -0.63 -2.21 0.00 0.00 174.62 171.95 1uag s ILE 176 N -0.40 4.55 0.17 5.08 1.01 -1.24 -1.54 121.20 128.82 1uag s ILE 176 Ca -0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 1uag s ILE 176 Cb -0.04 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.09 1uag s ILE 176 CO -0.00 0.05 1.55 -0.07 0.00 0.00 0.00 174.94 176.47 1uag h LEU 177 N 8.35 0.95 -7.00 2.97 3.38 -1.37 -3.37 115.31 119.22 1uag h LEU 177 Ca -0.32 -0.38 0.21 0.00 0.09 0.00 0.00 57.88 57.49 1uag h LEU 177 Cb 1.14 -0.26 -0.21 0.00 0.09 0.00 0.00 40.66 41.41 1uag h LEU 177 CO 0.62 1.16 0.78 0.54 0.09 0.00 0.00 178.44 181.62 1uag s ASN 178 N -6.77 -0.17 -0.20 -0.43 2.20 -1.26 -4.65 114.94 103.67 1uag s ASN 178 Ca -0.11 0.08 0.00 0.00 -0.94 0.00 0.00 52.86 51.90 1uag s ASN 178 Cb 0.12 0.16 0.04 0.00 -2.00 0.00 0.00 41.25 39.58 1uag s ASN 178 CO 0.86 -0.23 -0.08 -0.69 -2.94 0.00 0.00 177.10 174.02 1uag s VAL 179 N -1.88 1.49 0.06 3.54 1.01 -1.26 -1.65 120.40 121.71 1uag s VAL 179 Ca 0.07 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1uag s VAL 179 Cb -0.01 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1uag s VAL 179 CO -0.04 0.12 -0.06 0.42 0.00 0.00 0.00 175.10 175.54 1uag s THR 180 N 1.46 0.47 -0.04 3.92 -4.23 -1.26 -4.98 115.64 110.98 1uag s THR 180 Ca -0.01 -1.58 -0.35 0.00 -1.18 0.00 0.00 61.69 58.56 1uag s THR 180 Cb -0.16 -1.22 -0.13 0.00 1.34 0.00 0.00 72.50 72.32 1uag s THR 180 CO -0.08 -0.75 1.74 1.21 -0.54 0.00 0.00 174.62 176.20 1uag n GLU 181 N 0.54 1.91 -3.50 3.99 2.13 -1.26 -4.86 120.64 119.59 1uag n GLU 181 Ca -0.16 0.70 -0.15 0.00 0.66 0.00 0.00 57.16 58.20 1uag n GLU 181 Cb 0.59 -2.48 -0.05 0.00 0.27 0.00 0.00 31.44 29.77 1uag n GLU 181 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1uag s ASP 182 N 2.88 -0.59 -1.52 4.31 2.15 -1.26 -4.50 116.67 118.14 1uag s ASP 182 Ca 0.89 0.45 -0.02 0.00 0.43 0.00 0.00 52.55 54.30 1uag s ASP 182 Cb -0.77 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 42.37 1uag s ASP 182 CO 0.50 -0.68 0.32 1.41 -0.17 0.00 0.00 175.17 176.55 1uag n HIS 183 N 0.47 -1.42 0.29 -5.34 8.25 -1.26 -4.85 115.22 111.37 1uag n HIS 183 Ca -0.17 0.27 0.18 0.00 -0.26 0.00 0.00 57.72 57.74 1uag n HIS 183 Cb 0.60 -4.01 0.86 0.00 1.12 0.00 0.00 29.99 28.55 1uag n HIS 183 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1uag h MET 184 N -0.72 0.00 0.00 -0.41 2.86 -1.85 0.07 114.93 114.88 1uag h MET 184 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1uag h MET 184 Cb 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1uag h MET 184 CO 0.53 0.03 0.00 0.38 1.06 0.00 0.00 176.91 178.91 1uag h ASP 185 N 0.00 0.00 -0.01 1.22 2.03 -1.83 -2.55 116.42 115.28 1uag h ASP 185 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1uag h ASP 185 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1uag h ASP 185 CO 0.00 0.00 -0.42 0.54 -1.03 0.00 0.00 179.24 178.34 1uag n ARG 186 N -2.59 2.14 -3.65 4.15 5.12 -0.01 -4.80 116.66 117.02 1uag n ARG 186 Ca -0.00 -0.46 -0.28 0.00 -1.93 0.00 0.00 57.85 55.18 1uag n ARG 186 Cb 0.16 -1.17 -0.12 0.00 -1.16 0.00 0.00 32.46 30.17 1uag n ARG 186 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1uag s TYR 187 N -1.91 2.12 -1.23 -1.55 2.02 -0.96 -4.96 117.35 110.89 1uag s TYR 187 Ca 0.09 -2.65 0.20 0.00 -0.37 0.00 0.00 57.07 54.34 1uag s TYR 187 Cb 0.11 -1.77 0.96 0.00 -0.40 0.00 0.00 41.96 40.85 1uag s TYR 187 CO 0.42 -0.73 1.65 -0.35 -1.57 0.00 0.00 175.55 174.97 1uag n PRO 188 N 2.82 0.16 -0.62 -1.71 -0.04 -1.26 -0.22 135.00 134.14 1uag n PRO 188 Ca 0.20 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.84 1uag n PRO 188 Cb 0.39 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.67 1uag n PRO 188 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1uag n PHE 189 N -1.38 1.46 -4.51 0.54 3.01 -1.26 -5.07 117.46 110.25 1uag n PHE 189 Ca 0.08 -0.54 0.00 0.00 1.01 0.00 0.00 57.45 58.00 1uag n PHE 189 Cb 0.20 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.34 1uag n PHE 189 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uag n GLY 190 N 0.75 -0.00 0.35 1.37 0.00 0.70 -3.86 105.19 104.50 1uag n GLY 190 Ca 0.22 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 1uag n GLY 190 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1uag h LEU 191 N 0.00 1.09 -1.18 0.99 5.85 -1.97 -1.46 115.31 118.63 1uag h LEU 191 Ca 0.00 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 1uag h LEU 191 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1uag h LEU 191 CO 0.00 0.86 -0.19 1.56 -0.34 0.00 0.00 178.44 180.32 1uag h GLN 192 N 1.24 0.33 -0.16 1.25 1.08 -1.99 0.47 115.11 117.33 1uag h GLN 192 Ca 0.32 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.37 1uag h GLN 192 Cb -0.01 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1uag h GLN 192 CO -0.06 0.52 -0.08 0.37 -0.95 0.00 0.00 178.83 178.63 1uag h GLN 193 N 0.30 0.34 -0.33 1.46 4.15 -1.39 -0.30 115.11 119.34 1uag h GLN 193 Ca 0.05 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.39 1uag h GLN 193 Cb 0.52 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.13 1uag h GLN 193 CO 0.03 0.65 -0.10 -0.92 -1.93 0.00 0.00 178.83 176.57 1uag h TYR 194 N 0.01 -0.23 -0.98 3.99 3.20 -1.21 -2.02 116.97 119.74 1uag h TYR 194 Ca 0.04 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1uag h TYR 194 Cb 0.55 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 1uag h TYR 194 CO 0.07 -0.17 0.65 -0.09 -1.64 0.00 0.00 178.16 176.97 1uag h ARG 195 N -0.03 1.25 -0.56 1.82 2.43 -0.86 -2.07 114.38 116.36 1uag h ARG 195 Ca 0.16 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1uag h ARG 195 Cb 0.28 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1uag h ARG 195 CO -0.36 0.83 0.22 0.00 -1.51 0.00 0.00 179.97 179.15 1uag h ALA 196 N 1.38 1.32 0.00 2.80 0.00 -0.64 -0.49 119.26 123.62 1uag h ALA 196 Ca 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1uag h ALA 196 Cb -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1uag h ALA 196 CO -0.10 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1uag n ALA 197 N -2.45 1.41 0.00 0.00 0.00 -0.78 -3.28 120.51 115.41 1uag n ALA 197 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1uag n ALA 197 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1uag n ALA 197 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uag n LEU 199 N 0.58 0.00 0.31 0.00 4.77 -0.19 -4.35 117.00 118.11 1uag n LEU 199 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 1uag n LEU 199 Cb 0.06 0.00 0.99 0.00 -2.33 0.00 0.00 43.42 42.14 1uag n LEU 199 CO 0.00 0.00 1.12 0.03 -1.33 0.00 0.00 177.39 177.21 1uag h ARG 200 N 0.00 0.00 0.00 3.23 3.08 -1.84 -2.40 114.38 116.45 1uag h ARG 200 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1uag h ARG 200 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1uag h ARG 200 CO 0.00 0.02 -0.14 0.97 -1.07 0.00 0.00 179.97 179.76 1uag h ILE 201 N 0.00 0.65 0.00 2.04 2.10 -1.92 -2.03 117.51 118.36 1uag h ILE 201 Ca -0.00 -0.57 0.00 0.00 1.08 0.00 0.00 64.86 65.37 1uag h ILE 201 Cb 0.08 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.17 1uag h ILE 201 CO 0.00 0.13 -0.11 -1.22 -1.08 0.00 0.00 178.15 175.87 1uag n TYR 202 N -3.73 0.89 -1.82 2.19 4.01 -0.90 -4.64 117.16 113.15 1uag n TYR 202 Ca -0.02 0.26 -0.42 0.00 -0.16 0.00 0.00 57.90 57.56 1uag n TYR 202 Cb 0.25 -0.90 -0.03 0.00 -0.31 0.00 0.00 39.34 38.35 1uag n TYR 202 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1uag s GLU 203 N -3.11 4.04 -1.14 -0.72 0.41 -0.77 -1.46 118.70 115.96 1uag s GLU 203 Ca 0.10 2.34 0.00 0.00 -0.41 0.00 0.00 54.97 56.99 1uag s GLU 203 Cb 0.12 -4.11 0.00 0.00 -1.78 0.00 0.00 34.13 28.37 1uag s GLU 203 CO 0.62 -1.04 0.00 0.09 -0.49 0.00 0.00 175.26 174.44 1uag n ASN 204 N 7.82 -4.60 -4.73 -0.19 3.02 -1.26 -4.54 115.26 110.78 1uag n ASN 204 Ca 0.20 0.27 -0.41 0.00 -0.03 0.00 0.00 54.58 54.60 1uag n ASN 204 Cb 0.42 -3.04 -0.05 0.00 -0.61 0.00 0.00 39.78 36.51 1uag n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uag s ALA 205 N -2.30 3.27 0.11 5.41 0.00 -0.53 -4.02 121.76 123.70 1uag s ALA 205 Ca 0.00 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.32 1uag s ALA 205 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1uag s ALA 205 CO 0.00 0.01 1.68 -0.22 0.00 0.00 0.00 175.76 177.22 1uag h LYS 206 N 5.44 0.40 -4.57 0.00 3.64 -0.80 -3.42 116.57 117.26 1uag h LYS 206 Ca -0.43 -0.06 -0.54 0.00 -1.27 0.00 0.00 60.65 58.34 1uag h LYS 206 Cb 1.21 -0.07 -0.34 0.00 -0.41 0.00 0.00 32.23 32.62 1uag h LYS 206 CO 0.71 0.40 -0.82 0.08 -2.27 0.00 0.00 179.45 177.55 1uag s VAL 207 N -5.67 1.25 -0.13 2.00 1.01 -0.84 -5.01 120.40 113.01 1uag s VAL 207 Ca -0.13 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1uag s VAL 207 Cb 0.08 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1uag s VAL 207 CO 0.72 0.39 0.09 0.00 0.00 0.00 0.00 175.10 176.30 1uag s VAL 209 N -0.59 2.02 0.26 0.00 1.01 0.83 -1.18 120.40 122.76 1uag s VAL 209 Ca 0.12 -1.17 0.10 0.00 0.00 0.00 0.00 61.98 61.03 1uag s VAL 209 Cb -0.12 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1uag s VAL 209 CO 0.02 0.30 -0.04 0.68 0.00 0.00 0.00 175.10 176.07 1uag s VAL 210 N 1.25 3.30 -0.42 2.92 -7.23 0.41 -3.70 120.40 116.93 1uag s VAL 210 Ca -0.00 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.00 1uag s VAL 210 Cb -0.16 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.05 1uag s VAL 210 CO -0.10 -0.36 0.60 0.21 -0.31 0.00 0.00 175.10 175.14 1uag s ASN 211 N -3.60 6.31 0.58 4.85 3.84 -1.26 -1.57 114.94 124.08 1uag s ASN 211 Ca 0.31 -0.34 0.35 0.00 0.21 0.00 0.00 52.86 53.39 1uag s ASN 211 Cb -0.06 -2.30 1.73 0.00 -0.55 0.00 0.00 41.25 40.07 1uag s ASN 211 CO 0.19 -0.71 2.14 0.00 -2.79 0.00 0.00 177.10 175.93 1uag h ALA 212 N 8.79 1.11 -0.01 1.71 0.00 -1.24 -1.11 119.26 128.52 1uag h ALA 212 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1uag h ALA 212 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1uag h ALA 212 CO 0.86 0.06 -0.26 -0.25 0.00 0.00 0.00 179.25 179.67 1uag n ASP 213 N -3.30 1.34 -3.86 0.00 8.00 -1.26 -4.72 116.55 112.74 1uag n ASP 213 Ca -0.01 -1.12 -0.30 0.00 0.71 0.00 0.00 54.79 54.06 1uag n ASP 213 Cb 0.21 0.18 -0.15 0.00 -0.02 0.00 0.00 41.12 41.33 1uag n ASP 213 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1uag s ASP 214 N -2.42 4.14 0.54 -2.24 -1.08 -0.42 -5.00 116.67 110.19 1uag s ASP 214 Ca 0.25 -1.63 0.23 0.00 -0.52 0.00 0.00 52.55 50.88 1uag s ASP 214 Cb 0.19 -1.14 1.48 0.00 -1.46 0.00 0.00 42.92 41.99 1uag s ASP 214 CO 0.50 -0.36 2.16 0.00 0.52 0.00 0.00 175.17 177.99 1uag h ALA 215 N 7.93 1.67 0.00 3.66 0.00 -1.85 -1.90 119.26 128.78 1uag h ALA 215 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1uag h ALA 215 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1uag h ALA 215 CO 0.46 0.05 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1uag n LEU 216 N -4.11 0.08 0.00 0.00 4.77 -1.26 -2.16 117.00 114.33 1uag n LEU 216 Ca -0.03 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.60 1uag n LEU 216 Cb 0.13 -0.49 0.57 0.00 -2.33 0.00 0.00 43.42 41.30 1uag n LEU 216 CO 0.31 -0.13 0.90 0.35 -1.33 0.00 0.00 177.39 177.49 1uag n THR 217 N -1.58 0.01 -3.36 -5.08 -2.24 -0.71 -4.86 114.28 96.45 1uag n THR 217 Ca 0.05 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 1uag n THR 217 Cb 0.28 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 1uag n THR 217 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1uag s MET 218 N -3.00 4.10 0.20 -0.78 -1.94 -0.92 -4.70 119.30 112.26 1uag s MET 218 Ca 0.14 0.60 -0.32 0.00 -1.71 0.00 0.00 55.69 54.39 1uag s MET 218 Cb 0.19 -3.24 -0.15 0.00 2.01 0.00 0.00 34.83 33.64 1uag s MET 218 CO 0.55 0.64 1.31 -2.30 -0.01 0.00 0.00 175.02 175.21 1uag n PRO 219 N 1.85 1.62 -0.26 2.03 -0.02 -1.26 -5.09 135.00 133.87 1uag n PRO 219 Ca -0.12 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1uag n PRO 219 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1uag n PRO 219 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1uag n ILE 220 N 1.84 1.06 -4.42 4.25 5.41 -1.26 -5.16 119.36 121.08 1uag n ILE 220 Ca 0.14 -0.26 -0.24 0.00 1.00 0.00 0.00 62.75 63.39 1uag n ILE 220 Cb 0.28 -1.24 -0.11 0.00 -0.71 0.00 0.00 39.64 37.86 1uag n ILE 220 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1uag s ARG 226 N 0.88 1.53 0.46 0.38 0.52 -1.26 -5.31 118.95 116.14 1uag s ARG 226 Ca 0.00 -1.62 -0.23 0.00 -0.52 0.00 0.00 55.73 53.36 1uag s ARG 226 Cb 0.00 -1.65 -0.08 0.00 0.52 0.00 0.00 34.95 33.75 1uag s ARG 226 CO 0.00 0.32 1.13 0.00 0.02 0.00 0.00 175.30 176.77 1uag s VAL 228 N -1.63 2.71 0.21 0.00 1.01 -0.32 -4.88 120.40 117.50 1uag s VAL 228 Ca 0.63 0.64 0.11 0.00 0.00 0.00 0.00 61.98 63.36 1uag s VAL 228 Cb -0.26 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1uag s VAL 228 CO 0.31 0.12 -0.18 -0.94 0.00 0.00 0.00 175.10 174.41 1uag s SER 229 N 0.05 3.73 0.07 3.32 1.04 -1.26 -0.45 113.70 120.20 1uag s SER 229 Ca 0.55 -0.82 0.05 0.00 0.48 0.00 0.00 55.95 56.21 1uag s SER 229 Cb -0.41 -0.41 -0.03 0.00 0.10 0.00 0.00 66.02 65.27 1uag s SER 229 CO 0.47 0.09 -0.14 0.72 0.98 0.00 0.00 173.24 175.36 1uag s PHE 230 N -1.90 1.22 0.07 5.02 -0.71 -0.61 -0.89 117.98 120.18 1uag s PHE 230 Ca 0.24 -0.45 -0.04 0.00 -1.04 0.00 0.00 56.93 55.64 1uag s PHE 230 Cb -0.07 -0.69 0.02 0.00 -1.21 0.00 0.00 43.02 41.06 1uag s PHE 230 CO 0.13 0.06 0.22 0.41 -1.34 0.00 0.00 175.22 174.70 1uag n GLY 231 N 1.32 1.42 0.06 1.99 0.00 0.05 -0.70 105.19 109.33 1uag n GLY 231 Ca -0.21 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.76 1uag n GLY 231 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1uag h VAL 232 N 1.24 0.30 0.00 1.61 2.07 -1.93 -3.24 116.25 116.30 1uag h VAL 232 Ca -0.07 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 1uag h VAL 232 Cb 0.30 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1uag h VAL 232 CO 0.10 0.10 -1.72 0.59 0.02 0.00 0.00 177.57 176.66 1uag n ASN 233 N -4.72 1.75 -4.43 0.57 3.02 -1.26 -0.69 115.26 109.51 1uag n ASN 233 Ca -0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.30 1uag n ASN 233 Cb 0.13 1.43 -0.10 0.00 -0.61 0.00 0.00 39.78 40.62 1uag n ASN 233 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uag s MET 234 N -2.81 1.55 0.00 3.52 0.23 -1.26 -4.89 119.30 115.64 1uag s MET 234 Ca -0.06 -1.73 0.00 0.00 -1.03 0.00 0.00 55.69 52.87 1uag s MET 234 Cb 0.08 -1.39 0.00 0.00 -1.53 0.00 0.00 34.83 31.98 1uag s MET 234 CO 0.58 0.19 0.00 0.41 -2.03 0.00 0.00 175.02 174.17 1uag n GLY 235 N -0.55 3.40 0.20 3.16 0.00 -1.26 -1.60 105.19 108.53 1uag n GLY 235 Ca -0.06 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.17 1uag n GLY 235 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uag h ASP 236 N 0.00 0.00 -3.16 1.61 3.32 -1.37 -3.39 116.42 113.44 1uag h ASP 236 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1uag h ASP 236 Cb 0.00 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.19 1uag h ASP 236 CO 0.00 0.33 -0.84 -0.31 -1.72 0.00 0.00 179.24 176.71 1uag s TYR 237 N -4.12 2.41 0.27 4.55 1.51 -0.44 -0.73 117.35 120.80 1uag s TYR 237 Ca -0.02 -1.42 -0.10 0.00 -1.01 0.00 0.00 57.07 54.52 1uag s TYR 237 Cb 0.14 -1.71 -0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1uag s TYR 237 CO 0.70 -0.73 0.47 -3.38 -1.11 0.00 0.00 175.55 171.50 1uag s HIS 238 N 1.41 0.54 0.06 2.71 -3.43 -0.53 -0.77 115.29 115.28 1uag s HIS 238 Ca 0.04 -0.89 -0.03 0.00 -0.80 0.00 0.00 55.06 53.38 1uag s HIS 238 Cb -0.13 0.11 -0.05 0.00 -1.43 0.00 0.00 32.58 31.08 1uag s HIS 238 CO -0.11 -1.02 0.26 -0.51 -2.00 0.00 0.00 174.74 171.36 1uag s LEU 239 N -3.07 4.34 -0.01 5.38 1.43 0.14 -0.81 118.68 126.08 1uag s LEU 239 Ca 0.25 0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1uag s LEU 239 Cb -0.00 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 1uag s LEU 239 CO 0.11 0.18 -0.04 -3.20 0.23 0.00 0.00 176.35 173.64 1uag n ASN 240 N 0.56 0.29 0.00 2.29 4.05 0.52 -4.65 115.26 118.32 1uag n ASN 240 Ca -0.07 0.05 0.00 0.00 0.45 0.00 0.00 54.58 55.01 1uag n ASN 240 Cb 0.52 -0.33 0.00 0.00 1.23 0.00 0.00 39.78 41.20 1uag n ASN 240 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1uag n GLU 245 N -2.78 0.00 -4.67 1.20 2.13 -1.26 -2.65 120.64 112.61 1uag n GLU 245 Ca -0.01 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.58 1uag n GLU 245 Cb 0.05 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.61 1uag n GLU 245 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1uag s THR 246 N 0.00 1.15 -0.05 6.31 2.01 -1.26 -5.06 115.64 118.73 1uag s THR 246 Ca 0.00 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1uag s THR 246 Cb 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 1uag s THR 246 CO 0.00 0.33 -0.23 0.26 -0.69 0.00 0.00 174.62 174.29 1uag s TRP 247 N -0.23 2.26 0.08 4.92 0.52 -1.09 -0.75 118.94 124.64 1uag s TRP 247 Ca 0.03 -0.64 -0.30 0.00 0.02 0.00 0.00 56.10 55.21 1uag s TRP 247 Cb -0.07 -1.48 -0.06 0.00 -1.15 0.00 0.00 33.47 30.71 1uag s TRP 247 CO -0.00 -0.19 1.15 -0.51 0.02 0.00 0.00 176.95 177.42 1uag s LEU 248 N -0.17 4.39 0.08 2.99 1.43 0.51 -0.35 118.68 127.56 1uag s LEU 248 Ca -0.02 1.98 0.07 0.00 -1.03 0.00 0.00 54.13 55.13 1uag s LEU 248 Cb -0.13 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1uag s LEU 248 CO 0.03 -0.39 -0.19 -0.13 0.23 0.00 0.00 176.35 175.90 1uag s ARG 249 N 0.76 1.06 -0.23 1.70 0.52 0.01 -0.85 118.95 121.93 1uag s ARG 249 Ca 0.56 -1.05 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1uag s ARG 249 Cb -0.28 -1.23 0.05 0.00 0.52 0.00 0.00 34.95 34.01 1uag s ARG 249 CO 0.30 0.29 -0.10 0.08 0.02 0.00 0.00 175.30 175.89 1uag s VAL 250 N -1.12 1.81 -1.35 3.52 1.01 -0.50 -1.45 120.40 122.31 1uag s VAL 250 Ca 0.04 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 1uag s VAL 250 Cb -0.10 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1uag s VAL 250 CO 0.03 0.04 0.62 0.29 0.00 0.00 0.00 175.10 176.08 1uag n LYS 251 N 4.59 -4.39 0.00 2.72 4.01 0.09 -1.85 118.16 123.33 1uag n LYS 251 Ca -0.14 0.55 0.00 0.00 -0.51 0.00 0.00 58.31 58.21 1uag n LYS 251 Cb 0.44 -4.98 0.00 0.00 -0.51 0.00 0.00 35.03 29.99 1uag n LYS 251 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uag n GLY 252 N -1.71 2.71 3.66 0.72 0.00 -1.26 -5.00 105.19 104.30 1uag n GLY 252 Ca -0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1uag n GLY 252 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uag s GLU 253 N -0.44 4.17 0.17 1.61 2.12 -0.77 -5.05 118.70 120.51 1uag s GLU 253 Ca 0.00 0.30 -0.32 0.00 0.36 0.00 0.00 54.97 55.31 1uag s GLU 253 Cb 0.00 -3.56 -0.11 0.00 0.26 0.00 0.00 34.13 30.72 1uag s GLU 253 CO 0.00 -0.12 1.62 0.15 -0.54 0.00 0.00 175.26 176.37 1uag s LYS 254 N 1.57 4.19 0.00 4.30 1.02 -1.26 -1.42 119.74 128.14 1uag s LYS 254 Ca 0.21 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.64 1uag s LYS 254 Cb -0.15 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 1uag s LYS 254 CO 0.09 -0.66 0.00 1.33 -0.92 0.00 0.00 175.35 175.19 1uag n VAL 255 N 4.01 0.00 -3.64 3.17 0.24 -0.03 -4.93 118.33 117.16 1uag n VAL 255 Ca 0.15 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.38 1uag n VAL 255 Cb 0.38 0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 32.94 1uag n VAL 255 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1uag s LEU 256 N -3.14 -0.91 -0.25 1.34 2.96 -1.10 -5.00 118.68 112.59 1uag s LEU 256 Ca 0.00 1.44 -0.24 0.00 -0.22 0.00 0.00 54.13 55.10 1uag s LEU 256 Cb 0.00 2.31 -0.00 0.00 0.50 0.00 0.00 46.19 48.99 1uag s LEU 256 CO 0.00 -0.23 0.83 0.21 -1.32 0.00 0.00 176.35 175.84 1uag s ASN 257 N 1.68 6.82 0.00 3.68 3.84 -1.26 -0.36 114.94 129.33 1uag s ASN 257 Ca -0.10 1.01 0.10 0.00 0.21 0.00 0.00 52.86 54.08 1uag s ASN 257 Cb -0.05 -2.43 0.55 0.00 -0.55 0.00 0.00 41.25 38.76 1uag s ASN 257 CO -0.19 -0.52 1.10 1.33 -2.79 0.00 0.00 177.10 176.02 1uag n VAL 258 N 5.28 0.30 0.32 -5.21 0.24 0.07 -1.20 118.33 118.14 1uag n VAL 258 Ca 0.05 0.08 0.16 0.00 -2.04 0.00 0.00 64.34 62.59 1uag n VAL 258 Cb 0.48 -0.92 0.65 0.00 -1.47 0.00 0.00 33.84 32.57 1uag n VAL 258 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1uag h LYS 259 N 0.00 0.00 0.00 7.34 2.10 -1.92 -1.24 116.57 122.86 1uag h LYS 259 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1uag h LYS 259 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1uag h LYS 259 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 1uag h GLU 260 N 0.00 0.00 -6.83 0.07 4.39 -1.56 -3.45 114.58 107.20 1uag h GLU 260 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 1uag h GLU 260 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1uag h GLU 260 CO 0.00 0.00 0.21 -1.64 -1.16 0.00 0.00 179.01 176.42 1uag s MET 261 N -3.32 4.20 0.07 2.33 -1.94 -0.47 -4.44 119.30 115.73 1uag s MET 261 Ca 0.06 0.94 0.02 0.00 -1.71 0.00 0.00 55.69 54.99 1uag s MET 261 Cb 0.07 -2.48 -0.25 0.00 2.01 0.00 0.00 34.83 34.18 1uag s MET 261 CO 0.61 0.16 1.11 0.87 -0.01 0.00 0.00 175.02 177.76 1uag h LYS 262 N 2.48 0.14 -7.10 2.03 1.79 -1.73 -3.46 116.57 110.71 1uag h LYS 262 Ca -0.48 -0.24 -0.51 0.00 -2.18 0.00 0.00 60.65 57.24 1uag h LYS 262 Cb 1.18 0.09 0.09 0.00 -1.58 0.00 0.00 32.23 32.01 1uag h LYS 262 CO 0.64 1.06 0.43 -0.51 -1.08 0.00 0.00 179.45 179.99 1uag s LEU 263 N -6.87 3.68 0.27 2.94 1.43 -1.26 -5.01 118.68 113.86 1uag s LEU 263 Ca -0.03 2.21 0.02 0.00 -1.03 0.00 0.00 54.13 55.30 1uag s LEU 263 Cb 0.08 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1uag s LEU 263 CO 0.85 -1.37 0.11 -0.44 0.23 0.00 0.00 176.35 175.72 1uag s SER 264 N -1.82 1.28 0.00 2.29 0.01 -1.26 -4.98 113.70 109.22 1uag s SER 264 Ca 0.73 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1uag s SER 264 Cb -0.25 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1uag s SER 264 CO 0.30 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1uag n GLY 265 N -0.49 0.04 0.35 3.44 0.00 -1.26 -4.42 105.19 102.85 1uag n GLY 265 Ca 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.59 1uag n GLY 265 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1uag h GLN 266 N 0.00 1.22 0.00 1.61 4.15 -1.97 0.23 115.11 120.34 1uag h GLN 266 Ca 0.00 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 1uag h GLN 266 Cb 0.00 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.41 1uag h GLN 266 CO 0.00 0.80 -0.15 1.12 -1.93 0.00 0.00 178.83 178.68 1uag h HIS 267 N 1.25 0.00 0.00 3.99 2.07 -1.94 -0.50 115.15 120.02 1uag h HIS 267 Ca 0.34 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.80 1uag h HIS 267 Cb -0.13 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.84 1uag h HIS 267 CO -0.01 0.15 -0.33 -0.91 -3.07 0.00 0.00 177.93 173.76 1uag h ASN 268 N 0.00 0.00 0.11 3.10 2.35 -1.19 -1.07 115.58 118.89 1uag h ASN 268 Ca -0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 1uag h ASN 268 Cb 0.32 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.70 1uag h ASN 268 CO 0.02 0.30 -0.98 1.88 -1.65 0.00 0.00 177.43 177.00 1uag h TYR 269 N 0.00 0.88 -0.14 1.19 0.05 -0.46 -0.51 116.97 117.98 1uag h TYR 269 Ca -0.01 -0.47 -0.09 0.00 0.05 0.00 0.00 58.73 58.21 1uag h TYR 269 Cb 1.23 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 1uag h TYR 269 CO 0.00 1.30 -0.33 1.79 -1.05 0.00 0.00 178.16 179.86 1uag h THR 270 N 0.35 1.28 -0.52 -2.88 1.35 -1.11 -0.64 112.91 110.73 1uag h THR 270 Ca -0.10 -1.35 0.03 0.00 -0.55 0.00 0.00 66.41 64.44 1uag h THR 270 Cb 1.62 1.54 -0.04 0.00 -1.73 0.00 0.00 68.15 69.55 1uag h THR 270 CO 0.18 0.41 0.31 0.78 -0.25 0.00 0.00 175.52 176.95 1uag h ASN 271 N 0.24 0.49 -0.70 5.36 2.35 -0.98 -0.19 115.58 122.15 1uag h ASN 271 Ca 0.03 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1uag h ASN 271 Cb 0.71 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 1uag h ASN 271 CO 0.05 0.34 0.41 0.00 -1.65 0.00 0.00 177.43 176.59 1uag h ALA 272 N 1.24 0.89 -0.47 -0.83 0.00 -0.76 -0.30 119.26 119.03 1uag h ALA 272 Ca 0.21 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1uag h ALA 272 Cb 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1uag h ALA 272 CO -0.10 0.38 0.26 -0.07 0.00 0.00 0.00 179.25 179.71 1uag h LEU 273 N 0.95 0.40 -0.61 0.00 3.38 -0.65 -0.30 115.31 118.49 1uag h LEU 273 Ca 0.25 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1uag h LEU 273 Cb -0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1uag h LEU 273 CO -0.04 0.29 0.30 0.00 0.09 0.00 0.00 178.44 179.07 1uag h ALA 274 N 1.23 0.79 -0.66 1.53 0.00 -0.69 0.17 119.26 121.62 1uag h ALA 274 Ca 0.19 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1uag h ALA 274 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1uag h ALA 274 CO -0.11 0.34 0.08 0.00 0.00 0.00 0.00 179.25 179.57 1uag h ALA 275 N 1.13 0.90 -0.35 0.00 0.00 -0.79 -1.14 119.26 119.01 1uag h ALA 275 Ca 0.21 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1uag h ALA 275 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1uag h ALA 275 CO -0.03 0.67 -0.41 1.25 0.00 0.00 0.00 179.25 180.73 1uag h LEU 276 N 1.02 0.92 -0.27 0.00 5.85 -0.66 -0.41 115.31 121.76 1uag h LEU 276 Ca 0.20 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1uag h LEU 276 Cb 0.47 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1uag h LEU 276 CO 0.02 1.20 -0.01 0.00 -0.34 0.00 0.00 178.44 179.30 1uag h ALA 277 N 0.84 0.22 -0.11 1.25 0.00 -0.62 0.21 119.26 121.05 1uag h ALA 277 Ca 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1uag h ALA 277 Cb 0.99 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1uag h ALA 277 CO 0.09 -0.43 0.04 -0.07 0.00 0.00 0.00 179.25 178.89 1uag h LEU 278 N 0.06 0.15 -0.88 0.00 3.38 -1.00 -1.64 115.31 115.38 1uag h LEU 278 Ca 0.13 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1uag h LEU 278 Cb 0.17 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1uag h LEU 278 CO -0.23 0.28 0.57 0.00 0.09 0.00 0.00 178.44 179.15 1uag h ALA 279 N 0.88 1.15 -0.39 1.53 0.00 -0.92 0.32 119.26 121.82 1uag h ALA 279 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uag h ALA 279 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1uag h ALA 279 CO -0.00 0.45 0.19 -0.44 0.00 0.00 0.00 179.25 179.44 1uag h ASP 280 N 1.13 0.51 -0.42 0.00 3.32 -0.85 -0.30 116.42 119.81 1uag h ASP 280 Ca 0.34 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1uag h ASP 280 Cb -0.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1uag h ASP 280 CO -0.10 0.49 0.14 0.00 -1.72 0.00 0.00 179.24 178.04 1uag h ALA 281 N 1.04 1.34 0.00 3.45 0.00 -0.81 -0.27 119.26 124.01 1uag h ALA 281 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uag h ALA 281 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1uag h ALA 281 CO -0.02 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1uag n ALA 282 N -2.46 2.53 -0.44 0.00 0.00 0.06 -4.87 120.51 115.33 1uag n ALA 282 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1uag n ALA 282 Cb 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1uag n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uag n GLY 283 N 0.83 0.78 3.78 0.00 0.00 -0.11 -5.04 105.19 105.42 1uag n GLY 283 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1uag n GLY 283 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uag s LEU 284 N 0.00 4.29 0.22 0.99 1.43 -0.17 -4.97 118.68 120.47 1uag s LEU 284 Ca 0.00 1.98 -0.31 0.00 -1.03 0.00 0.00 54.13 54.77 1uag s LEU 284 Cb 0.00 -4.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.09 1uag s LEU 284 CO 0.00 -0.25 1.55 -2.16 0.23 0.00 0.00 176.35 175.72 1uag s PRO 285 N -2.13 4.21 0.36 1.29 0.04 -1.26 -4.46 135.00 133.05 1uag s PRO 285 Ca 0.52 2.40 0.10 0.00 0.04 0.00 0.00 61.00 64.07 1uag s PRO 285 Cb -0.22 -3.11 0.70 0.00 0.04 0.00 0.00 34.50 31.91 1uag s PRO 285 CO 0.28 -0.57 1.84 -0.09 0.04 0.00 0.00 177.00 178.50 1uag h ARG 286 N 5.91 0.14 -0.21 4.56 2.43 -1.95 -2.40 114.38 122.86 1uag h ARG 286 Ca -0.44 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1uag h ARG 286 Cb 1.21 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1uag h ARG 286 CO 0.85 0.42 0.09 0.00 -1.51 0.00 0.00 179.97 179.82 1uag h ALA 287 N 1.58 0.27 -0.09 2.80 0.00 -2.00 0.13 119.26 121.97 1uag h ALA 287 Ca 0.02 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1uag h ALA 287 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1uag h ALA 287 CO 0.04 -0.14 -0.55 0.66 0.00 0.00 0.00 179.25 179.27 1uag h SER 288 N 0.19 0.29 -0.79 0.00 4.64 -1.89 -2.09 113.55 113.90 1uag h SER 288 Ca 0.07 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1uag h SER 288 Cb 0.17 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 1uag h SER 288 CO -0.01 0.78 0.51 0.28 -0.87 0.00 0.00 176.83 177.53 1uag h SER 289 N 0.21 0.86 -0.31 4.97 0.02 -1.03 -1.98 113.55 116.29 1uag h SER 289 Ca 0.00 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1uag h SER 289 Cb 1.03 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1uag h SER 289 CO 0.09 0.60 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.14 1uag h LEU 290 N 1.02 0.76 -0.30 5.07 3.38 -0.58 -2.67 115.31 121.99 1uag h LEU 290 Ca 0.31 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1uag h LEU 290 Cb -0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1uag h LEU 290 CO -0.10 0.93 0.02 0.50 0.09 0.00 0.00 178.44 179.89 1uag h LYS 291 N 0.68 0.11 -0.42 1.13 3.64 -1.10 -1.94 116.57 118.68 1uag h LYS 291 Ca 0.11 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1uag h LYS 291 Cb 0.66 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1uag h LYS 291 CO 0.05 0.08 0.16 0.00 -2.27 0.00 0.00 179.45 177.46 1uag h ALA 292 N 1.24 1.50 -0.41 5.00 0.00 -1.14 -1.51 119.26 123.94 1uag h ALA 292 Ca 0.14 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1uag h ALA 292 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1uag h ALA 292 CO -0.22 0.39 0.28 -0.07 0.00 0.00 0.00 179.25 179.63 1uag h LEU 293 N 0.59 0.25 0.00 0.00 4.07 -1.02 -2.11 115.31 117.10 1uag h LEU 293 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1uag h LEU 293 Cb 0.13 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1uag h LEU 293 CO -0.01 0.17 -0.38 0.71 -1.08 0.00 0.00 178.44 177.84 1uag h THR 294 N 0.29 0.00 0.00 0.22 1.35 -1.02 -3.37 112.91 110.38 1uag h THR 294 Ca 0.18 -0.76 -0.33 0.00 -0.55 0.00 0.00 66.41 64.95 1uag h THR 294 Cb 0.35 1.55 -0.06 0.00 -1.73 0.00 0.00 68.15 68.26 1uag h THR 294 CO -0.04 0.00 -2.05 0.35 -0.25 0.00 0.00 175.52 173.53 1uag n THR 295 N -2.58 1.49 -2.07 6.82 -2.24 -0.84 -4.14 114.28 110.71 1uag n THR 295 Ca 0.03 -0.83 -0.42 0.00 -2.27 0.00 0.00 64.05 60.56 1uag n THR 295 Cb 0.49 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1uag n THR 295 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1uag s PHE 296 N -2.55 2.49 -0.81 4.78 5.36 -0.90 -4.90 117.98 121.46 1uag s PHE 296 Ca -0.07 0.50 0.23 0.00 -0.96 0.00 0.00 56.93 56.62 1uag s PHE 296 Cb 0.07 -3.83 0.09 0.00 -0.34 0.00 0.00 43.02 39.01 1uag s PHE 296 CO 0.83 -3.27 1.09 0.25 -1.46 0.00 0.00 175.22 172.66 1uag n THR 297 N 4.90 0.07 0.00 0.12 -2.24 -1.26 -4.00 114.28 111.87 1uag n THR 297 Ca 0.15 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1uag n THR 297 Cb 0.42 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1uag n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uag n GLY 298 N 1.44 0.23 3.59 3.38 0.00 -1.26 -4.76 105.19 107.80 1uag n GLY 298 Ca 0.03 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 1uag n GLY 298 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uag s LEU 299 N 0.00 3.07 0.47 0.99 1.43 -1.26 -5.10 118.68 118.27 1uag s LEU 299 Ca 0.00 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.44 1uag s LEU 299 Cb 0.00 -1.83 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 1uag s LEU 299 CO 0.00 0.16 1.43 -0.81 0.23 0.00 0.00 176.35 177.36 1uag n PRO 300 N 0.53 2.19 -0.91 1.29 -0.04 -1.26 -2.46 135.00 134.34 1uag n PRO 300 Ca -0.13 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1uag n PRO 300 Cb 0.53 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1uag n PRO 300 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1uag n HIS 301 N -0.32 0.00 -3.82 0.54 8.25 -1.26 -4.89 115.22 113.71 1uag n HIS 301 Ca 0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.17 1uag n HIS 301 Cb 0.42 -0.62 -0.12 0.00 1.12 0.00 0.00 29.99 30.78 1uag n HIS 301 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1uag s ARG 302 N -0.54 1.92 -1.09 -0.41 6.06 -1.03 -1.19 118.95 122.67 1uag s ARG 302 Ca 0.00 -1.82 -0.11 0.00 -2.50 0.00 0.00 55.73 51.30 1uag s ARG 302 Cb 0.00 -3.51 0.02 0.00 0.06 0.00 0.00 34.95 31.52 1uag s ARG 302 CO 0.00 -1.04 0.22 0.34 -2.50 0.00 0.00 175.30 172.32 1uag n PHE 303 N 4.53 -1.00 -3.33 5.12 7.35 -1.15 -4.62 117.46 124.36 1uag n PHE 303 Ca -0.01 0.29 -0.40 0.00 -0.76 0.00 0.00 57.45 56.56 1uag n PHE 303 Cb 0.41 -2.14 -0.09 0.00 0.35 0.00 0.00 39.48 38.02 1uag n PHE 303 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1uag s GLU 304 N -6.62 3.86 -0.28 -4.13 2.12 0.69 -4.85 118.70 109.50 1uag s GLU 304 Ca 0.16 -0.03 -0.29 0.00 0.36 0.00 0.00 54.97 55.17 1uag s GLU 304 Cb -0.09 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 1uag s GLU 304 CO 0.76 -0.41 1.63 0.08 -0.54 0.00 0.00 175.26 176.78 1uag s VAL 305 N 2.18 3.67 -0.76 3.70 1.01 -1.26 0.28 120.40 129.22 1uag s VAL 305 Ca 0.16 0.73 0.21 0.00 0.00 0.00 0.00 61.98 63.09 1uag s VAL 305 Cb -0.16 -3.76 -0.25 0.00 0.00 0.00 0.00 36.38 32.21 1uag s VAL 305 CO 0.11 -0.39 0.81 1.33 0.00 0.00 0.00 175.10 176.96 1uag n VAL 306 N 6.77 0.01 -3.63 2.92 0.24 0.09 -4.93 118.33 119.79 1uag n VAL 306 Ca 0.20 -0.13 -0.05 0.00 -2.04 0.00 0.00 64.34 62.32 1uag n VAL 306 Cb 0.46 0.73 -0.07 0.00 -1.47 0.00 0.00 33.84 33.49 1uag n VAL 306 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1uag s LEU 307 N -3.39 -0.85 -0.23 1.34 2.96 -1.19 -4.90 118.68 112.42 1uag s LEU 307 Ca 0.04 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 1uag s LEU 307 Cb 0.15 2.21 0.06 0.00 0.50 0.00 0.00 46.19 49.11 1uag s LEU 307 CO 0.87 -0.21 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.94 1uag s GLU 308 N 1.70 1.60 -0.23 1.98 2.12 -1.26 -0.53 118.70 124.09 1uag s GLU 308 Ca -0.09 -0.96 -0.15 0.00 0.36 0.00 0.00 54.97 54.12 1uag s GLU 308 Cb -0.05 -2.56 0.07 0.00 0.26 0.00 0.00 34.13 31.84 1uag s GLU 308 CO -0.19 -0.59 0.57 -1.58 -0.54 0.00 0.00 175.26 172.93 1uag s HIS 309 N 1.41 -0.78 -1.46 5.30 2.46 0.08 -4.90 115.29 117.40 1uag s HIS 309 Ca -0.06 1.68 -0.04 0.00 0.47 0.00 0.00 55.06 57.12 1uag s HIS 309 Cb -0.19 0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.65 1uag s HIS 309 CO -0.06 -0.40 0.50 0.09 -2.47 0.00 0.00 174.74 172.40 1uag n ASN 310 N 3.78 -5.77 -0.72 9.88 3.02 -1.26 -1.43 115.26 122.76 1uag n ASN 310 Ca -0.19 -0.24 -0.09 0.00 -0.03 0.00 0.00 54.58 54.04 1uag n ASN 310 Cb 0.57 -4.62 -0.03 0.00 -0.61 0.00 0.00 39.78 35.09 1uag n ASN 310 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uag n GLY 311 N -1.42 0.89 3.08 7.41 0.00 -1.26 -4.28 105.19 109.61 1uag n GLY 311 Ca -0.12 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 1uag n GLY 311 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uag s VAL 312 N -2.34 1.41 -0.18 1.61 1.01 -0.51 0.92 120.40 122.31 1uag s VAL 312 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1uag s VAL 312 Cb 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1uag s VAL 312 CO 0.00 0.42 0.22 -0.13 0.00 0.00 0.00 175.10 175.60 1uag s ARG 313 N 0.56 4.22 -0.25 2.72 0.52 -1.22 -0.74 118.95 124.76 1uag s ARG 313 Ca -0.16 -0.06 -0.07 0.00 -0.52 0.00 0.00 55.73 54.92 1uag s ARG 313 Cb -0.16 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 1uag s ARG 313 CO 0.05 0.25 0.07 -1.58 0.02 0.00 0.00 175.30 174.10 1uag s TRP 314 N 0.48 3.08 -0.19 -0.53 0.52 0.31 -0.85 118.94 121.76 1uag s TRP 314 Ca 0.12 -0.46 0.00 0.00 0.02 0.00 0.00 56.10 55.79 1uag s TRP 314 Cb -0.12 -2.23 0.01 0.00 -1.15 0.00 0.00 33.47 29.98 1uag s TRP 314 CO 0.01 -0.37 -0.17 0.42 0.02 0.00 0.00 176.95 176.86 1uag s ILE 315 N 1.61 2.35 -0.68 2.03 1.01 0.79 -0.74 121.20 127.57 1uag s ILE 315 Ca 0.06 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 1uag s ILE 315 Cb -0.15 -2.00 0.09 0.00 0.01 0.00 0.00 42.46 40.40 1uag s ILE 315 CO 0.03 0.52 0.92 0.21 0.00 0.00 0.00 174.94 176.62 1uag s ASN 316 N 1.30 6.23 -0.48 3.58 2.47 0.14 -1.32 114.94 126.86 1uag s ASN 316 Ca 0.05 -1.23 0.04 0.00 0.42 0.00 0.00 52.86 52.14 1uag s ASN 316 Cb -0.13 -2.39 0.42 0.00 -1.45 0.00 0.00 41.25 37.70 1uag s ASN 316 CO -0.10 -1.32 1.34 -0.67 -3.72 0.00 0.00 177.10 172.63 1uag n ASP 317 N 7.25 5.42 0.30 -4.21 2.03 0.15 -0.22 116.55 127.26 1uag n ASP 317 Ca -0.02 -3.75 0.17 0.00 0.52 0.00 0.00 54.79 51.71 1uag n ASP 317 Cb 0.45 -0.56 0.98 0.00 -0.72 0.00 0.00 41.12 41.26 1uag n ASP 317 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1uag h SER 318 N 2.50 0.00 0.45 1.67 0.87 -1.44 -1.36 113.55 116.25 1uag h SER 318 Ca 0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1uag h SER 318 Cb 0.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1uag h SER 318 CO 0.97 0.02 0.00 1.17 -0.53 0.00 0.00 176.83 178.46 1uag n LYS 319 N -3.59 0.10 -2.29 2.24 4.81 -0.33 -4.38 118.16 114.71 1uag n LYS 319 Ca -0.03 0.41 -0.34 0.00 -0.87 0.00 0.00 58.31 57.49 1uag n LYS 319 Cb 0.10 -1.73 -0.04 0.00 0.02 0.00 0.00 35.03 33.39 1uag n LYS 319 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uag s ALA 320 N -3.22 2.25 -1.55 3.14 0.00 -0.51 -4.71 121.76 117.16 1uag s ALA 320 Ca 0.03 -2.05 0.17 0.00 0.00 0.00 0.00 51.96 50.11 1uag s ALA 320 Cb 0.08 -4.58 0.46 0.00 0.00 0.00 0.00 23.12 19.07 1uag s ALA 320 CO 0.27 -4.30 1.38 0.25 0.00 0.00 0.00 175.76 173.36 1uag n THR 321 N 7.35 0.91 -4.14 0.00 -2.24 -1.26 -1.74 114.28 113.16 1uag n THR 321 Ca 0.40 -0.95 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 1uag n THR 321 Cb 0.48 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 69.21 1uag n THR 321 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1uag s ASN 322 N -1.04 0.31 0.30 3.42 2.20 -1.24 -3.36 114.94 115.51 1uag s ASN 322 Ca 0.36 -1.30 0.02 0.00 -0.94 0.00 0.00 52.86 50.99 1uag s ASN 322 Cb 0.19 0.49 0.47 0.00 -2.00 0.00 0.00 41.25 40.40 1uag s ASN 322 CO 0.25 -1.00 1.80 0.58 -2.94 0.00 0.00 177.10 175.79 1uag h VAL 323 N 2.41 1.23 -0.58 3.54 2.07 -1.79 -2.72 116.25 120.41 1uag h VAL 323 Ca -0.31 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.15 1uag h VAL 323 Cb 1.25 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1uag h VAL 323 CO 0.45 0.32 -0.05 1.23 0.02 0.00 0.00 177.57 179.54 1uag h GLY 324 N 0.92 1.14 0.94 2.17 0.00 -1.94 -0.34 103.07 105.96 1uag h GLY 324 Ca 0.11 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1uag h GLY 324 CO 0.02 0.80 0.15 0.23 0.00 0.00 0.00 176.54 177.75 1uag h SER 325 N 0.94 0.43 -0.14 0.19 0.87 -1.80 -1.71 113.55 112.33 1uag h SER 325 Ca 0.16 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1uag h SER 325 Cb 0.61 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1uag h SER 325 CO 0.04 0.44 -0.07 0.74 -0.53 0.00 0.00 176.83 177.44 1uag h THR 326 N 0.39 1.21 -0.86 2.23 2.02 -1.19 -1.97 112.91 114.73 1uag h THR 326 Ca 0.11 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1uag h THR 326 Cb 0.12 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1uag h THR 326 CO -0.01 0.29 0.56 -0.33 0.37 0.00 0.00 175.52 176.39 1uag h GLU 327 N 0.43 1.15 0.00 6.66 5.08 -0.70 -1.33 114.58 125.87 1uag h GLU 327 Ca 0.09 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1uag h GLU 327 Cb 0.40 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1uag h GLU 327 CO 0.02 0.77 -0.18 0.00 -1.00 0.00 0.00 179.01 178.63 1uag h ALA 328 N 1.30 1.49 -0.11 3.43 0.00 -0.57 0.25 119.26 125.05 1uag h ALA 328 Ca 0.31 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1uag h ALA 328 Cb -0.11 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1uag h ALA 328 CO -0.07 0.22 -0.55 0.00 0.00 0.00 0.00 179.25 178.85 1uag h ALA 329 N 1.82 0.22 0.00 0.00 0.00 -0.88 -3.36 119.26 117.06 1uag h ALA 329 Ca -0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 1uag h ALA 329 Cb 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1uag h ALA 329 CO 0.02 0.43 -1.29 -0.07 0.00 0.00 0.00 179.25 178.35 1uag h LEU 330 N 0.19 0.00 -8.88 0.00 3.38 -0.88 -3.39 115.31 105.73 1uag h LEU 330 Ca -0.04 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.36 1uag h LEU 330 Cb 1.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1uag h LEU 330 CO 0.11 0.88 1.11 0.21 0.09 0.00 0.00 178.44 180.85 1uag s ASN 331 N -6.30 6.29 0.00 -0.43 2.47 0.84 -1.90 114.94 115.93 1uag s ASN 331 Ca -0.01 1.16 0.00 0.00 0.42 0.00 0.00 52.86 54.42 1uag s ASN 331 Cb 0.09 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1uag s ASN 331 CO 0.81 -1.41 0.00 0.61 -3.72 0.00 0.00 177.10 173.40 1uag n GLY 332 N 4.96 0.53 3.71 1.21 0.00 -1.26 -4.94 105.19 109.40 1uag n GLY 332 Ca 0.18 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1uag n GLY 332 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uag s LEU 333 N 0.00 4.36 -0.21 0.99 2.96 -0.80 -4.99 118.68 120.99 1uag s LEU 333 Ca 0.00 2.14 -0.13 0.00 -0.22 0.00 0.00 54.13 55.92 1uag s LEU 333 Cb 0.00 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 1uag s LEU 333 CO 0.00 -0.59 0.27 -2.28 -1.32 0.00 0.00 176.35 172.43 1uag s HIS 334 N 1.35 3.37 -0.07 5.38 5.65 -1.26 -5.07 115.29 124.64 1uag s HIS 334 Ca 0.62 0.44 0.01 0.00 0.25 0.00 0.00 55.06 56.38 1uag s HIS 334 Cb -0.32 -2.36 0.02 0.00 -1.18 0.00 0.00 32.58 28.73 1uag s HIS 334 CO 0.29 0.09 -0.08 0.08 -0.65 0.00 0.00 174.74 174.47 1uag s VAL 335 N 0.98 0.89 0.10 0.89 1.01 -1.26 -5.06 120.40 117.95 1uag s VAL 335 Ca 0.13 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 1uag s VAL 335 Cb -0.14 -0.88 -0.16 0.00 0.00 0.00 0.00 36.38 35.21 1uag s VAL 335 CO 0.05 0.32 1.30 0.44 0.00 0.00 0.00 175.10 177.21 1uag h ASP 336 N 7.46 0.95 0.00 3.32 3.32 -1.92 -3.46 116.42 126.09 1uag h ASP 336 Ca -0.31 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.10 1uag h ASP 336 Cb 1.16 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1uag h ASP 336 CO 0.44 1.43 0.00 0.61 -1.72 0.00 0.00 179.24 180.00 1uag n GLY 337 N 0.72 0.86 3.79 2.75 0.00 -0.00 -4.95 105.19 108.35 1uag n GLY 337 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1uag n GLY 337 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uag s THR 338 N 2.83 4.94 -0.21 2.61 2.01 -1.26 -4.83 115.64 121.73 1uag s THR 338 Ca 0.00 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.79 1uag s THR 338 Cb 0.00 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 1uag s THR 338 CO 0.00 0.61 0.59 -0.22 -0.69 0.00 0.00 174.62 174.91 1uag s LEU 339 N -0.96 4.13 -0.51 4.42 2.96 -0.27 -0.81 118.68 127.64 1uag s LEU 339 Ca 0.14 0.75 -0.13 0.00 -0.22 0.00 0.00 54.13 54.67 1uag s LEU 339 Cb -0.12 -2.81 0.12 0.00 0.50 0.00 0.00 46.19 43.88 1uag s LEU 339 CO 0.03 -0.25 0.44 -1.00 -1.32 0.00 0.00 176.35 174.25 1uag s HIS 340 N 1.90 3.31 -0.26 5.38 3.76 0.63 -0.27 115.29 129.74 1uag s HIS 340 Ca 0.27 -1.49 -0.12 0.00 -0.15 0.00 0.00 55.06 53.57 1uag s HIS 340 Cb -0.16 -3.66 -0.05 0.00 1.11 0.00 0.00 32.58 29.83 1uag s HIS 340 CO 0.10 -1.00 0.23 -1.17 -0.85 0.00 0.00 174.74 172.05 1uag s LEU 341 N 1.51 4.06 -0.22 0.89 2.96 0.74 -1.00 118.68 127.63 1uag s LEU 341 Ca 0.04 0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.93 1uag s LEU 341 Cb -0.28 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1uag s LEU 341 CO 0.02 -0.04 0.32 -0.76 -1.32 0.00 0.00 176.35 174.57 1uag s LEU 342 N 1.57 4.12 0.05 -0.68 1.02 -0.17 -0.49 118.68 124.10 1uag s LEU 342 Ca 0.10 0.36 0.07 0.00 0.02 0.00 0.00 54.13 54.68 1uag s LEU 342 Cb -0.15 -2.38 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 1uag s LEU 342 CO 0.09 -0.05 -0.20 -0.76 0.02 0.00 0.00 176.35 175.44 1uag s LEU 343 N 1.36 2.19 0.00 1.79 1.43 -0.52 -2.80 118.68 122.14 1uag s LEU 343 Ca 0.15 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1uag s LEU 343 Cb -0.15 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1uag s LEU 343 CO 0.07 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1uag n GLY 344 N 1.73 3.09 0.00 -3.19 0.00 -0.89 -1.23 105.19 104.70 1uag n GLY 344 Ca -0.18 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1uag n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uag n GLY 345 N -1.21 0.44 3.48 -0.02 0.00 -0.83 -4.45 105.19 102.59 1uag n GLY 345 Ca 0.00 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1uag n GLY 345 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uag s ASP 346 N -4.00 6.23 0.00 1.61 -1.08 0.21 -1.18 116.67 118.46 1uag s ASP 346 Ca 0.00 -0.69 0.28 0.00 -0.52 0.00 0.00 52.55 51.62 1uag s ASP 346 Cb 0.00 -2.27 1.50 0.00 -1.46 0.00 0.00 42.92 40.70 1uag s ASP 346 CO 0.00 -0.72 1.99 0.61 0.52 0.00 0.00 175.17 177.56 1uag n GLY 347 N 5.11 -1.11 2.98 2.66 0.00 -1.26 -0.58 105.19 112.99 1uag n GLY 347 Ca -0.06 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1uag n GLY 347 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uag n LYS 348 N -1.20 -3.75 -1.66 1.61 5.02 -1.26 -1.33 118.16 115.59 1uag n LYS 348 Ca 0.16 0.75 -0.13 0.00 -2.02 0.00 0.00 58.31 57.07 1uag n LYS 348 Cb 0.18 -5.51 -0.04 0.00 -0.02 0.00 0.00 35.03 29.64 1uag n LYS 348 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1uag n SER 349 N -2.30 -4.39 -4.81 4.39 7.64 -1.26 -2.66 113.62 110.24 1uag n SER 349 Ca -0.10 0.21 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 1uag n SER 349 Cb 0.60 -3.20 -0.01 0.00 -1.01 0.00 0.00 64.21 60.59 1uag n SER 349 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uag s ALA 350 N -2.53 2.82 -0.24 -0.43 0.00 -0.44 -4.89 121.76 116.04 1uag s ALA 350 Ca 0.00 0.40 -0.25 0.00 0.00 0.00 0.00 51.96 52.11 1uag s ALA 350 Cb 0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 1uag s ALA 350 CO 0.00 -0.62 0.84 0.34 0.00 0.00 0.00 175.76 176.31 1uag s ASP 351 N -2.67 6.84 0.00 0.00 2.15 -1.26 -4.93 116.67 116.79 1uag s ASP 351 Ca 0.64 1.03 0.26 0.00 0.43 0.00 0.00 52.55 54.91 1uag s ASP 351 Cb -0.15 -2.44 0.63 0.00 -0.30 0.00 0.00 42.92 40.66 1uag s ASP 351 CO 0.33 -0.53 1.49 0.49 -0.17 0.00 0.00 175.17 176.78 1uag n PHE 352 N 6.03 0.00 0.32 -5.34 3.72 -1.26 -4.38 117.46 116.55 1uag n PHE 352 Ca 0.06 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.66 1uag n PHE 352 Cb 0.47 -0.23 1.11 0.00 -0.94 0.00 0.00 39.48 39.89 1uag n PHE 352 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1uag h SER 353 N 0.31 0.00 0.18 4.37 4.64 -1.96 -0.75 113.55 120.34 1uag h SER 353 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uag h SER 353 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1uag h SER 353 CO 0.00 0.01 0.00 -0.65 -0.87 0.00 0.00 176.83 175.32 1uag h PRO 354 N 0.00 0.00 0.00 4.77 0.11 -2.00 -1.52 132.00 133.36 1uag h PRO 354 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1uag h PRO 354 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1uag h PRO 354 CO 0.00 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.72 1uag h LEU 355 N 0.00 0.00 -1.34 2.35 3.38 -1.48 -3.36 115.31 114.87 1uag h LEU 355 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1uag h LEU 355 Cb 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1uag h LEU 355 CO 0.00 0.00 0.51 0.00 0.09 0.00 0.00 178.44 179.04 1uag h ALA 356 N 2.02 1.73 0.00 1.53 0.00 -1.43 -1.68 119.26 121.42 1uag h ALA 356 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uag h ALA 356 Cb 0.86 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1uag h ALA 356 CO 0.00 0.13 0.00 2.89 0.00 0.00 0.00 179.25 182.27 1uag n ARG 357 N -4.50 0.06 0.00 0.00 1.85 -1.26 -1.65 116.66 111.17 1uag n ARG 357 Ca 0.13 0.19 0.11 0.00 -1.00 0.00 0.00 57.85 57.27 1uag n ARG 357 Cb 0.29 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.23 1uag n ARG 357 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1uag n TYR 358 N -1.44 0.00 -1.06 2.89 4.01 -0.63 -4.53 117.16 116.40 1uag n TYR 358 Ca 0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.84 1uag n TYR 358 Cb 0.18 -0.09 0.27 0.00 -0.31 0.00 0.00 39.34 39.39 1uag n TYR 358 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1uag n LEU 359 N -1.47 4.42 -4.90 7.72 4.77 -0.66 -4.98 117.00 121.90 1uag n LEU 359 Ca 0.05 -3.14 -0.28 0.00 -0.03 0.00 0.00 56.01 52.61 1uag n LEU 359 Cb 0.33 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1uag n LEU 359 CO 0.40 0.77 0.53 0.20 -1.33 0.00 0.00 177.39 177.95 1uag s ASN 360 N -1.78 6.01 0.00 -1.43 0.01 -1.26 -4.88 114.94 111.61 1uag s ASN 360 Ca 0.46 0.95 0.00 0.00 -0.71 0.00 0.00 52.86 53.56 1uag s ASN 360 Cb 0.37 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.93 1uag s ASN 360 CO 0.09 -0.81 0.00 0.61 -1.51 0.00 0.00 177.10 175.48 1uag n GLY 361 N -2.47 0.47 0.57 0.66 0.00 -1.26 -4.65 105.19 98.51 1uag n GLY 361 Ca 0.03 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 44.04 1uag n GLY 361 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uag n ASP 362 N 0.00 1.76 -0.84 1.61 8.00 -1.26 -4.36 116.55 121.47 1uag n ASP 362 Ca 0.00 -1.60 0.01 0.00 0.71 0.00 0.00 54.79 53.91 1uag n ASP 362 Cb 0.00 -0.02 0.18 0.00 -0.02 0.00 0.00 41.12 41.26 1uag n ASP 362 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uag n ASN 363 N 0.38 2.22 -4.02 -2.24 3.02 -1.26 -4.97 115.26 108.39 1uag n ASN 363 Ca 0.18 -3.87 -0.21 0.00 -0.03 0.00 0.00 54.58 50.65 1uag n ASN 363 Cb 0.39 -0.50 -0.16 0.00 -0.61 0.00 0.00 39.78 38.91 1uag n ASN 363 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uag s VAL 364 N -3.44 0.88 -0.04 2.41 1.01 -1.26 -1.12 120.40 118.84 1uag s VAL 364 Ca 0.40 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1uag s VAL 364 Cb 0.38 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.99 1uag s VAL 364 CO -0.05 0.27 -0.07 -0.13 0.00 0.00 0.00 175.10 175.12 1uag s ARG 365 N 0.20 1.00 -0.14 2.72 1.81 0.62 -4.90 118.95 120.25 1uag s ARG 365 Ca -0.04 -0.21 -0.06 0.00 -1.72 0.00 0.00 55.73 53.71 1uag s ARG 365 Cb -0.09 -0.93 -0.04 0.00 -0.45 0.00 0.00 34.95 33.44 1uag s ARG 365 CO 0.01 -0.01 0.05 -0.51 -0.68 0.00 0.00 175.30 174.16 1uag s LEU 366 N 0.67 3.83 -0.24 2.53 1.43 -0.41 -0.18 118.68 126.31 1uag s LEU 366 Ca -0.10 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1uag s LEU 366 Cb -0.13 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1uag s LEU 366 CO 0.01 0.27 -0.05 -0.31 0.23 0.00 0.00 176.35 176.50 1uag s TYR 367 N -0.23 2.43 -0.12 0.29 1.51 0.35 -0.10 117.35 121.49 1uag s TYR 367 Ca 0.08 -1.79 0.00 0.00 -1.01 0.00 0.00 57.07 54.35 1uag s TYR 367 Cb -0.12 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1uag s TYR 367 CO 0.01 -0.78 -0.12 0.00 -1.11 0.00 0.00 175.55 173.56 1uag n PHE 369 N 3.23 -0.90 -4.15 0.00 -1.74 -0.37 -0.58 117.46 112.95 1uag n PHE 369 Ca -0.18 -2.19 0.00 0.00 -0.56 0.00 0.00 57.45 54.52 1uag n PHE 369 Cb 0.53 0.32 0.00 0.00 1.52 0.00 0.00 39.48 41.85 1uag n PHE 369 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1uag n GLY 370 N -0.51 -1.36 0.14 4.97 0.00 -0.69 -1.97 105.19 105.77 1uag n GLY 370 Ca 0.04 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 1uag n GLY 370 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1uag h ARG 371 N 0.00 0.35 -0.66 1.61 2.43 -1.86 -2.45 114.38 113.79 1uag h ARG 371 Ca 0.00 -0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 1uag h ARG 371 Cb 0.00 -0.08 -0.18 0.00 -0.42 0.00 0.00 29.97 29.30 1uag h ARG 371 CO 0.00 0.23 0.27 -0.25 -1.51 0.00 0.00 179.97 178.71 1uag n ASP 372 N -4.92 3.57 -0.28 -3.80 8.00 -0.33 -4.64 116.55 114.15 1uag n ASP 372 Ca -0.01 -3.53 0.06 0.00 0.71 0.00 0.00 54.79 52.02 1uag n ASP 372 Cb 0.05 -0.73 0.21 0.00 -0.02 0.00 0.00 41.12 40.64 1uag n ASP 372 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1uag h GLY 373 N 1.43 1.28 1.56 0.44 0.00 -1.16 -1.83 103.07 104.80 1uag h GLY 373 Ca 0.36 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 1uag h GLY 373 CO 0.71 -0.07 -0.26 0.00 0.00 0.00 0.00 176.54 176.92 1uag h ALA 374 N 1.56 1.07 -0.01 3.60 0.00 -1.84 -0.37 119.26 123.26 1uag h ALA 374 Ca 0.44 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1uag h ALA 374 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1uag h ALA 374 CO -0.38 0.57 -0.84 1.96 0.00 0.00 0.00 179.25 180.56 1uag h GLN 375 N 0.45 0.23 -0.58 0.00 4.20 -1.74 -2.23 115.11 115.44 1uag h GLN 375 Ca 0.06 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.45 1uag h GLN 375 Cb 0.69 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1uag h GLN 375 CO 0.05 0.94 0.01 -0.07 -0.67 0.00 0.00 178.83 179.10 1uag h LEU 376 N 0.14 0.99 -1.29 1.46 3.38 -1.14 -3.22 115.31 115.62 1uag h LEU 376 Ca -0.04 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1uag h LEU 376 Cb 1.45 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1uag h LEU 376 CO 0.13 1.05 -0.33 0.00 0.09 0.00 0.00 178.44 179.38 1uag h ALA 377 N 0.98 1.25 0.00 1.53 0.00 -0.93 -2.04 119.26 120.03 1uag h ALA 377 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1uag h ALA 377 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1uag h ALA 377 CO 0.03 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1uag n ALA 378 N -2.38 1.66 -0.32 0.00 0.00 -0.85 -2.42 120.51 116.20 1uag n ALA 378 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1uag n ALA 378 Cb 0.40 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 18.72 1uag n ALA 378 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1uag h LEU 379 N 0.00 0.95 -6.17 0.00 3.38 -1.45 -3.38 115.31 108.64 1uag h LEU 379 Ca 0.00 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1uag h LEU 379 Cb 0.26 -0.22 -0.25 0.00 0.09 0.00 0.00 40.66 40.54 1uag h LEU 379 CO 0.00 0.66 -0.55 -0.60 0.09 0.00 0.00 178.44 178.04 1uag s ARG 380 N -6.10 0.70 0.47 1.13 3.52 -1.02 -4.90 118.95 112.75 1uag s ARG 380 Ca -0.13 -0.42 0.13 0.00 -0.13 0.00 0.00 55.73 55.19 1uag s ARG 380 Cb 0.17 -0.26 1.10 0.00 -1.56 0.00 0.00 34.95 34.40 1uag s ARG 380 CO 0.80 -1.17 2.08 -1.35 -0.81 0.00 0.00 175.30 174.85 1uag h PRO 381 N 7.19 0.25 0.00 5.12 0.11 -1.72 -2.63 132.00 140.32 1uag h PRO 381 Ca 0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1uag h PRO 381 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1uag h PRO 381 CO 0.16 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.27 1uag n GLU 382 N -4.49 0.92 0.00 1.05 0.00 -1.26 -2.82 120.64 114.04 1uag n GLU 382 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1uag n GLU 382 Cb 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.10 1uag n GLU 382 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1uag n VAL 383 N -1.04 0.26 -4.91 3.84 0.31 -1.00 -5.05 118.33 110.74 1uag n VAL 383 Ca 0.22 -0.30 -0.33 0.00 -0.01 0.00 0.00 64.34 63.93 1uag n VAL 383 Cb 0.12 1.01 -0.13 0.00 -0.91 0.00 0.00 33.84 33.93 1uag n VAL 383 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uag s ALA 384 N -0.26 2.62 0.10 3.52 0.00 -1.13 -1.28 121.76 125.32 1uag s ALA 384 Ca 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.05 1uag s ALA 384 Cb 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1uag s ALA 384 CO 0.00 0.53 -0.11 -1.21 0.00 0.00 0.00 175.76 174.97 1uag s GLU 385 N -0.62 2.13 -0.08 0.00 0.41 0.86 -4.95 118.70 116.46 1uag s GLU 385 Ca 0.09 -1.01 0.03 0.00 -0.41 0.00 0.00 54.97 53.67 1uag s GLU 385 Cb -0.11 -2.30 0.01 0.00 -1.78 0.00 0.00 34.13 29.95 1uag s GLU 385 CO 0.01 0.51 -0.16 -1.14 -0.49 0.00 0.00 175.26 174.00 1uag s GLN 386 N -2.12 2.09 0.40 1.61 0.74 -1.26 0.00 119.66 121.12 1uag s GLN 386 Ca 0.21 -0.55 0.04 0.00 0.05 0.00 0.00 55.36 55.10 1uag s GLN 386 Cb -0.11 -1.67 -0.04 0.00 1.10 0.00 0.00 33.01 32.29 1uag s GLN 386 CO 0.13 0.07 0.07 0.95 -0.55 0.00 0.00 175.29 175.96 1uag s THR 387 N 0.57 1.06 -0.00 -0.34 -4.23 0.25 -4.94 115.64 108.01 1uag s THR 387 Ca -0.16 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.18 1uag s THR 387 Cb -0.16 -2.54 -0.34 0.00 1.34 0.00 0.00 72.50 70.79 1uag s THR 387 CO 0.05 0.00 0.93 -0.08 -0.54 0.00 0.00 174.62 174.98 1uag h GLU 388 N 1.82 0.47 -6.02 3.99 4.22 -1.93 -3.34 114.58 113.79 1uag h GLU 388 Ca -0.40 -0.80 -0.57 0.00 0.08 0.00 0.00 59.36 57.67 1uag h GLU 388 Cb 1.27 0.30 -0.14 0.00 0.50 0.00 0.00 28.75 30.67 1uag h GLU 388 CO 0.67 1.38 -0.74 0.95 -2.18 0.00 0.00 179.01 179.09 1uag s THR 389 N -2.55 2.27 0.35 0.32 -4.23 -1.26 -1.70 115.64 108.83 1uag s THR 389 Ca -0.11 -2.34 0.06 0.00 -1.18 0.00 0.00 61.69 58.12 1uag s THR 389 Cb 0.03 -2.29 0.15 0.00 1.34 0.00 0.00 72.50 71.73 1uag s THR 389 CO 0.91 -0.42 1.87 -0.03 -0.54 0.00 0.00 174.62 176.41 1uag h MET 390 N 2.30 0.43 -0.43 3.99 4.05 -1.95 -2.21 114.93 121.10 1uag h MET 390 Ca -0.40 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 58.85 1uag h MET 390 Cb 1.25 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.98 1uag h MET 390 CO 0.62 0.51 0.01 1.49 0.23 0.00 0.00 176.91 179.77 1uag h GLU 391 N 0.41 0.76 -0.91 0.39 4.81 -1.98 -1.09 114.58 116.96 1uag h GLU 391 Ca 0.08 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1uag h GLU 391 Cb 0.38 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1uag h GLU 391 CO 0.02 0.83 0.55 1.96 -0.73 0.00 0.00 179.01 181.63 1uag h GLN 392 N 0.60 1.24 -0.61 1.92 4.20 -1.93 -1.87 115.11 118.66 1uag h GLN 392 Ca 0.12 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1uag h GLN 392 Cb 0.48 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1uag h GLN 392 CO 0.02 0.87 0.29 0.00 -0.67 0.00 0.00 178.83 179.34 1uag h ALA 393 N 1.34 0.79 -0.51 3.87 0.00 -1.19 -0.76 119.26 122.80 1uag h ALA 393 Ca 0.33 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1uag h ALA 393 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1uag h ALA 393 CO -0.06 0.36 -0.01 0.52 0.00 0.00 0.00 179.25 180.06 1uag h MET 394 N 0.84 0.91 0.00 0.00 2.86 -0.97 -0.32 114.93 118.25 1uag h MET 394 Ca 0.21 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1uag h MET 394 Cb 0.13 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1uag h MET 394 CO -0.02 0.95 -0.27 0.00 1.06 0.00 0.00 176.91 178.62 1uag h ARG 395 N 0.78 0.00 -0.00 1.72 3.08 -1.24 -0.91 114.38 117.80 1uag h ARG 395 Ca 0.14 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1uag h ARG 395 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1uag h ARG 395 CO 0.03 0.27 -0.01 1.25 -1.07 0.00 0.00 179.97 180.43 1uag h LEU 396 N 0.00 0.02 -0.41 3.04 5.85 -0.79 -3.36 115.31 119.66 1uag h LEU 396 Ca -0.00 -0.61 -0.18 0.00 0.84 0.00 0.00 57.88 57.92 1uag h LEU 396 Cb 0.90 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1uag h LEU 396 CO 0.04 0.63 -0.75 0.17 -0.34 0.00 0.00 178.44 178.19 1uag h LEU 397 N -0.59 0.40 -0.68 2.25 8.10 -0.99 -3.38 115.31 120.43 1uag h LEU 397 Ca -0.00 -0.27 0.08 0.00 0.11 0.00 0.00 57.88 57.80 1uag h LEU 397 Cb 0.63 -0.12 -0.07 0.00 -0.44 0.00 0.00 40.66 40.66 1uag h LEU 397 CO 0.00 1.01 0.34 0.00 -4.11 0.00 0.00 178.44 175.68 1uag h ALA 398 N 0.98 0.93 -0.62 0.17 0.00 -1.31 0.13 119.26 119.54 1uag h ALA 398 Ca -0.03 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1uag h ALA 398 Cb 1.32 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1uag h ALA 398 CO 0.12 -0.04 0.44 -1.35 0.00 0.00 0.00 179.25 178.42 1uag h PRO 399 N 0.59 0.02 -0.00 0.00 0.11 -1.77 -2.33 132.00 128.62 1uag h PRO 399 Ca 0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1uag h PRO 399 Cb 0.32 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1uag h PRO 399 CO -0.25 0.01 -0.35 0.54 -0.21 0.00 0.00 178.00 177.74 1uag n ARG 400 N -4.36 0.03 -2.47 1.05 1.74 0.44 -4.90 116.66 108.18 1uag n ARG 400 Ca 0.12 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1uag n ARG 400 Cb 0.68 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.59 1uag n ARG 400 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1uag s VAL 401 N -2.98 4.07 0.25 1.55 1.01 -0.88 -5.04 120.40 118.37 1uag s VAL 401 Ca 0.12 1.55 0.11 0.00 0.00 0.00 0.00 61.98 63.77 1uag s VAL 401 Cb 0.18 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1uag s VAL 401 CO 0.65 0.16 -0.19 -1.10 0.00 0.00 0.00 175.10 174.62 1uag s GLN 402 N 0.67 1.56 0.28 2.72 -1.52 -1.26 -5.07 119.66 117.03 1uag s GLN 402 Ca 0.56 -1.68 -0.30 0.00 -1.95 0.00 0.00 55.36 51.98 1uag s GLN 402 Cb -0.29 -1.61 -0.12 0.00 -0.22 0.00 0.00 33.01 30.78 1uag s GLN 402 CO 0.31 0.30 1.59 -2.30 -0.25 0.00 0.00 175.29 174.94 1uag n PRO 403 N -0.40 2.63 0.00 2.91 -0.02 -1.26 -1.20 135.00 137.66 1uag n PRO 403 Ca -0.07 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1uag n PRO 403 Cb 0.59 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1uag n PRO 403 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uag n GLY 404 N 2.40 3.42 3.78 -1.23 0.00 0.26 -4.77 105.19 109.05 1uag n GLY 404 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1uag n GLY 404 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uag s ASP 405 N -0.73 4.46 -0.04 1.61 1.11 -0.34 -0.82 116.67 121.91 1uag s ASP 405 Ca 0.00 1.53 0.07 0.00 0.18 0.00 0.00 52.55 54.33 1uag s ASP 405 Cb 0.00 -2.28 -0.01 0.00 1.07 0.00 0.00 42.92 41.70 1uag s ASP 405 CO 0.00 -2.02 -0.25 -0.32 1.18 0.00 0.00 175.17 173.76 1uag s MET 406 N -5.02 2.33 -0.28 8.23 -2.45 0.01 -3.42 119.30 118.70 1uag s MET 406 Ca 0.61 -0.89 -0.06 0.00 -1.25 0.00 0.00 55.69 54.10 1uag s MET 406 Cb -0.16 -2.07 0.00 0.00 1.25 0.00 0.00 34.83 33.86 1uag s MET 406 CO 0.55 0.43 0.05 0.08 1.05 0.00 0.00 175.02 177.19 1uag s VAL 407 N -0.31 3.84 -0.20 10.11 1.01 -0.03 -0.27 120.40 134.56 1uag s VAL 407 Ca 0.01 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1uag s VAL 407 Cb -0.12 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.36 1uag s VAL 407 CO 0.02 0.17 -0.18 -0.22 0.00 0.00 0.00 175.10 174.89 1uag s LEU 408 N 1.50 2.38 -0.66 3.92 2.96 -0.17 -0.15 118.68 128.46 1uag s LEU 408 Ca 0.03 -0.80 -0.22 0.00 -0.22 0.00 0.00 54.13 52.92 1uag s LEU 408 Cb -0.16 -1.47 0.08 0.00 0.50 0.00 0.00 46.19 45.13 1uag s LEU 408 CO 0.01 -0.05 0.93 -0.22 -1.32 0.00 0.00 176.35 175.71 1uag s LEU 409 N 1.27 4.59 -0.47 -0.68 2.96 -0.44 -1.00 118.68 124.91 1uag s LEU 409 Ca 0.02 -1.13 0.05 0.00 -0.22 0.00 0.00 54.13 52.85 1uag s LEU 409 Cb -0.15 -2.40 0.18 0.00 0.50 0.00 0.00 46.19 44.33 1uag s LEU 409 CO -0.11 -1.37 0.39 -0.24 -1.32 0.00 0.00 176.35 173.70 1uag n SER 410 N 7.42 0.28 -0.01 3.68 2.88 -1.12 -0.68 113.62 126.07 1uag n SER 410 Ca -0.03 -2.57 0.14 0.00 -1.33 0.00 0.00 58.87 55.07 1uag n SER 410 Cb 0.45 -0.60 0.55 0.00 -0.75 0.00 0.00 64.21 63.86 1uag n SER 410 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1uag n PRO 411 N 2.51 0.11 -1.46 -1.46 -0.04 -1.21 -4.68 135.00 128.77 1uag n PRO 411 Ca 0.27 -0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.55 1uag n PRO 411 Cb 0.46 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 1uag n PRO 411 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uag n ALA 412 N -1.42 -0.24 -2.90 0.55 0.00 -0.71 -2.10 120.51 113.69 1uag n ALA 412 Ca 0.08 0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 1uag n ALA 412 Cb 0.32 -1.81 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 1uag n ALA 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uag s ALA 414 N -3.05 2.64 -2.13 0.00 0.00 0.25 -4.32 121.76 115.16 1uag s ALA 414 Ca -0.01 0.38 0.23 0.00 0.00 0.00 0.00 51.96 52.55 1uag s ALA 414 Cb 0.01 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 19.97 1uag s ALA 414 CO -0.06 -1.03 1.15 -1.13 0.00 0.00 0.00 175.76 174.69 1uag n SER 415 N -2.36 2.06 0.28 0.00 3.41 -1.26 -0.62 113.62 115.12 1uag n SER 415 Ca 0.09 -1.52 0.12 0.00 -0.26 0.00 0.00 58.87 57.30 1uag n SER 415 Cb 0.53 0.40 0.78 0.00 -0.26 0.00 0.00 64.21 65.66 1uag n SER 415 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1uag h LEU 416 N 2.59 0.00 -1.68 1.04 -0.00 -1.91 0.21 115.31 115.56 1uag h LEU 416 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1uag h LEU 416 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 1uag h LEU 416 CO 0.00 0.02 0.15 -2.24 -0.00 0.00 0.00 178.44 176.37 1uag h ASP 417 N 0.00 0.32 0.00 0.17 2.03 -1.96 -3.37 116.42 113.61 1uag h ASP 417 Ca -0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1uag h ASP 417 Cb 0.05 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1uag h ASP 417 CO 0.00 0.26 -0.45 0.00 -1.03 0.00 0.00 179.24 178.03 1uag n GLN 418 N -4.47 2.86 -4.41 4.15 6.02 0.32 -5.03 117.38 116.82 1uag n GLN 418 Ca 0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.79 1uag n GLN 418 Cb 0.09 -0.67 -0.10 0.00 1.02 0.00 0.00 30.24 30.58 1uag n GLN 418 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1uag s PHE 419 N -1.09 1.90 0.12 1.08 0.40 0.48 -5.04 117.98 115.82 1uag s PHE 419 Ca 0.00 -0.72 -0.15 0.00 -0.60 0.00 0.00 56.93 55.47 1uag s PHE 419 Cb 0.00 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 1uag s PHE 419 CO 0.00 0.25 1.54 -0.22 0.70 0.00 0.00 175.22 177.48 1uag h LYS 420 N 2.31 0.72 -2.61 0.44 3.64 -1.90 -3.36 116.57 115.82 1uag h LYS 420 Ca -0.40 -0.26 0.13 0.00 -1.27 0.00 0.00 60.65 58.86 1uag h LYS 420 Cb 1.23 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1uag h LYS 420 CO 0.67 0.85 0.54 0.54 -2.27 0.00 0.00 179.45 179.77 1uag s ASN 421 N -6.29 0.00 0.46 4.20 2.20 -1.26 -4.90 114.94 109.34 1uag s ASN 421 Ca -0.13 -0.74 0.25 0.00 -0.94 0.00 0.00 52.86 51.30 1uag s ASN 421 Cb 0.10 0.56 0.96 0.00 -2.00 0.00 0.00 41.25 40.86 1uag s ASN 421 CO 0.80 -1.10 1.84 2.19 -2.94 0.00 0.00 177.10 177.89 1uag h PHE 422 N 2.00 0.00 -0.30 1.54 -5.15 -1.91 -2.43 116.94 110.69 1uag h PHE 422 Ca -0.28 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.44 1uag h PHE 422 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.38 1uag h PHE 422 CO 1.34 0.19 -0.01 0.93 -2.00 0.00 0.00 178.31 178.76 1uag h GLU 423 N 0.00 0.54 -0.54 6.09 3.07 -1.96 0.75 114.58 122.53 1uag h GLU 423 Ca -0.00 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1uag h GLU 423 Cb 0.73 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 1uag h GLU 423 CO 0.02 0.69 0.33 0.37 -1.40 0.00 0.00 179.01 179.02 1uag h GLN 424 N 0.33 0.73 -0.37 2.33 4.15 -1.89 0.89 115.11 121.28 1uag h GLN 424 Ca 0.09 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.49 1uag h GLN 424 Cb 0.45 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1uag h GLN 424 CO 0.02 0.53 0.10 -0.09 -1.93 0.00 0.00 178.83 177.46 1uag h ARG 425 N 0.73 0.23 -0.35 1.69 2.43 -1.17 -0.61 114.38 117.32 1uag h ARG 425 Ca 0.19 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1uag h ARG 425 Cb -0.02 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1uag h ARG 425 CO -0.04 0.15 0.04 0.78 -1.51 0.00 0.00 179.97 179.39 1uag h GLY 426 N 0.24 0.57 1.02 2.80 0.00 -0.44 -1.89 103.07 105.36 1uag h GLY 426 Ca 0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 1uag h GLY 426 CO -0.21 0.30 -0.33 3.43 0.00 0.00 0.00 176.54 179.74 1uag h ASN 427 N 0.51 0.82 -0.65 0.19 -0.26 -0.36 -1.86 115.58 113.97 1uag h ASN 427 Ca 0.12 -0.48 -0.06 0.00 -0.56 0.00 0.00 56.30 55.32 1uag h ASN 427 Cb 0.28 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.28 1uag h ASN 427 CO 0.00 1.13 0.17 -0.33 -1.06 0.00 0.00 177.43 177.35 1uag h GLU 428 N 0.53 1.04 -0.42 0.81 5.08 -0.99 -1.65 114.58 118.98 1uag h GLU 428 Ca 0.05 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1uag h GLU 428 Cb 0.91 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1uag h GLU 428 CO 0.08 0.92 0.17 0.35 -1.00 0.00 0.00 179.01 179.54 1uag h PHE 429 N 0.96 0.31 -0.69 4.33 3.57 -1.34 -1.40 116.94 122.68 1uag h PHE 429 Ca 0.21 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 1uag h PHE 429 Cb 0.34 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1uag h PHE 429 CO 0.03 0.14 0.25 0.00 -2.23 0.00 0.00 178.31 176.49 1uag h ALA 430 N 1.25 1.13 -0.42 2.41 0.00 -1.07 0.18 119.26 122.75 1uag h ALA 430 Ca 0.19 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1uag h ALA 430 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1uag h ALA 430 CO -0.17 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 1uag h ARG 431 N 1.01 0.76 -0.53 0.00 3.08 -1.08 -1.75 114.38 115.88 1uag h ARG 431 Ca 0.23 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1uag h ARG 431 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1uag h ARG 431 CO -0.01 0.85 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.57 1uag h LEU 432 N 0.59 1.00 -0.27 3.04 3.38 -0.93 -0.85 115.31 121.27 1uag h LEU 432 Ca 0.11 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1uag h LEU 432 Cb 0.53 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1uag h LEU 432 CO 0.03 1.11 -0.05 0.00 0.09 0.00 0.00 178.44 179.62 1uag h ALA 433 N 0.92 0.20 -0.30 1.53 0.00 -0.61 0.31 119.26 121.30 1uag h ALA 433 Ca 0.14 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1uag h ALA 433 Cb 0.66 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1uag h ALA 433 CO 0.05 -0.45 -0.10 0.87 0.00 0.00 0.00 179.25 179.61 1uag h LYS 434 N 0.02 0.51 -0.09 0.00 1.57 -1.17 0.36 116.57 117.76 1uag h LYS 434 Ca 0.13 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1uag h LYS 434 Cb 0.19 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1uag h LYS 434 CO -0.26 0.61 0.02 1.49 -0.57 0.00 0.00 179.45 180.74 1uag h GLU 435 N 0.47 0.15 -0.00 3.15 4.81 -0.63 -3.35 114.58 119.19 1uag h GLU 435 Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1uag h GLU 435 Cb 0.47 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1uag h GLU 435 CO 0.03 0.36 -0.86 1.28 -0.73 0.00 0.00 179.01 179.09 1uag n LEU 436 N -4.87 0.91 -0.78 1.64 4.77 0.11 -5.09 117.00 113.69 1uag n LEU 436 Ca -0.06 -0.38 0.10 0.00 -0.03 0.00 0.00 56.01 55.63 1uag n LEU 436 Cb 0.16 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1uag n LEU 436 CO 0.35 0.22 0.56 0.61 -1.33 0.00 0.00 177.39 177.80