#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7i s GLU 2 N 0.00 3.66 0.42 2.12 2.12 -1.26 0.35 118.70 126.11 2c7i s GLU 2 Ca 0.00 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.21 2c7i s GLU 2 Cb 0.00 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.09 2c7i s GLU 2 CO 0.00 0.61 0.07 0.20 -0.54 0.00 0.00 175.26 175.59 2c7i s GLY 3 N -0.53 2.50 -0.25 -1.50 0.00 0.08 -4.23 107.32 103.39 2c7i s GLY 3 Ca 0.12 -2.08 -0.08 0.00 0.00 0.00 0.00 44.72 42.68 2c7i s GLY 3 CO 0.02 -2.05 0.10 0.50 0.00 0.00 0.00 173.10 171.67 2c7i s ARG 4 N -3.79 3.75 -0.42 2.90 0.52 0.50 -0.96 118.95 121.45 2c7i s ARG 4 Ca 0.34 -0.43 -0.16 0.00 -0.52 0.00 0.00 55.73 54.96 2c7i s ARG 4 Cb 0.07 -3.40 0.03 0.00 0.52 0.00 0.00 34.95 32.17 2c7i s ARG 4 CO 0.18 -0.15 0.37 -1.17 0.02 0.00 0.00 175.30 174.56 2c7i s LEU 5 N 1.55 5.05 -0.31 2.53 2.96 0.80 -1.11 118.68 130.16 2c7i s LEU 5 Ca 0.06 -0.85 -0.10 0.00 -0.22 0.00 0.00 54.13 53.02 2c7i s LEU 5 Cb -0.15 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 2c7i s LEU 5 CO 0.05 -0.53 0.17 -0.76 -1.32 0.00 0.00 176.35 173.96 2c7i s LEU 6 N 1.89 4.14 -0.97 -0.68 1.43 -0.28 -1.27 118.68 122.94 2c7i s LEU 6 Ca 0.08 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2c7i s LEU 6 Cb -0.19 -2.04 0.16 0.00 0.03 0.00 0.00 46.19 44.15 2c7i s LEU 6 CO 0.11 -0.17 2.36 0.18 0.23 0.00 0.00 176.35 179.06 2c7i n LEU 7 N 5.02 7.42 -4.39 1.79 4.77 -1.26 -1.56 117.00 128.78 2c7i n LEU 7 Ca -0.14 -4.74 -0.39 0.00 -0.03 0.00 0.00 56.01 50.71 2c7i n LEU 7 Cb 0.50 -1.26 -0.12 0.00 -2.33 0.00 0.00 43.42 40.21 2c7i n LEU 7 CO 0.34 1.93 -0.20 -0.22 -1.33 0.00 0.00 177.39 177.91 2c7i s LEU 8 N -2.76 4.29 -0.03 2.23 2.96 -1.18 -4.96 118.68 119.23 2c7i s LEU 8 Ca 0.53 -0.75 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2c7i s LEU 8 Cb 0.27 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.98 2c7i s LEU 8 CO -0.17 -0.27 0.09 -1.83 -1.32 0.00 0.00 176.35 172.85 2c7i s GLU 9 N 1.56 0.20 -0.55 1.98 -1.05 -1.26 -4.52 118.70 115.06 2c7i s GLU 9 Ca 0.03 -0.03 0.06 0.00 -0.15 0.00 0.00 54.97 54.88 2c7i s GLU 9 Cb -0.18 0.09 0.21 0.00 -0.44 0.00 0.00 34.13 33.81 2c7i s GLU 9 CO 0.06 -0.04 0.52 0.25 0.95 0.00 0.00 175.26 177.00 2c7i n THR 10 N 2.61 0.57 0.27 1.83 -2.24 -1.26 -4.97 114.28 111.08 2c7i n THR 10 Ca -0.15 -4.40 0.11 0.00 -2.27 0.00 0.00 64.05 57.34 2c7i n THR 10 Cb 0.58 -1.98 0.73 0.00 -2.10 0.00 0.00 70.33 67.56 2c7i n THR 10 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2c7i h PRO 11 N 4.84 0.00 0.00 -0.78 0.13 -1.74 0.38 132.00 134.83 2c7i h PRO 11 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2c7i h PRO 11 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2c7i h PRO 11 CO 0.60 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 2c7i n GLY 12 N -1.23 -1.06 2.53 1.56 0.00 -1.26 -1.48 105.19 104.25 2c7i n GLY 12 Ca -0.03 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2c7i n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2c7i s ASN 13 N -2.34 1.05 0.30 1.61 3.84 0.12 -5.01 114.94 114.53 2c7i s ASN 13 Ca 0.33 -2.48 -0.01 0.00 0.21 0.00 0.00 52.86 50.91 2c7i s ASN 13 Cb 0.19 0.15 0.47 0.00 -0.55 0.00 0.00 41.25 41.50 2c7i s ASN 13 CO 0.38 -0.18 1.92 0.74 -2.79 0.00 0.00 177.10 177.17 2c7i h THR 14 N 4.81 1.20 -0.33 -5.21 2.02 -1.76 -1.79 112.91 111.85 2c7i h THR 14 Ca 0.17 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 2c7i h THR 14 Cb 0.98 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2c7i h THR 14 CO 0.26 0.23 0.05 0.03 0.37 0.00 0.00 175.52 176.46 2c7i h ARG 15 N 0.94 0.50 -0.05 6.66 3.08 -1.90 -1.28 114.38 122.32 2c7i h ARG 15 Ca 0.24 -0.09 -0.21 0.00 0.07 0.00 0.00 59.98 59.99 2c7i h ARG 15 Cb 0.04 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2c7i h ARG 15 CO -0.04 0.49 -0.83 1.98 -1.07 0.00 0.00 179.97 180.50 2c7i h MET 16 N 0.49 0.47 -0.72 0.04 4.05 -1.70 -2.33 114.93 115.22 2c7i h MET 16 Ca 0.11 -0.43 0.04 0.00 -0.28 0.00 0.00 59.70 59.14 2c7i h MET 16 Cb 0.24 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.10 2c7i h MET 16 CO 0.00 1.08 0.44 1.03 0.23 0.00 0.00 176.91 179.69 2c7i h SER 17 N 0.30 0.71 -0.16 1.39 0.87 -0.63 -0.66 113.55 115.37 2c7i h SER 17 Ca -0.06 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.37 2c7i h SER 17 Cb 1.44 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 2c7i h SER 17 CO 0.15 0.48 -0.40 -0.07 -0.53 0.00 0.00 176.83 176.46 2c7i h LEU 18 N 0.85 0.74 -0.40 2.23 3.38 -1.29 -2.90 115.31 117.91 2c7i h LEU 18 Ca 0.30 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2c7i h LEU 18 Cb 0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2c7i h LEU 18 CO -0.13 1.05 0.09 0.00 0.09 0.00 0.00 178.44 179.54 2c7i h ALA 19 N 0.98 0.44 -0.64 1.53 0.00 -1.06 -2.05 119.26 118.46 2c7i h ALA 19 Ca 0.05 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.16 2c7i h ALA 19 Cb 0.94 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 2c7i h ALA 19 CO 0.09 -0.31 0.10 1.88 0.00 0.00 0.00 179.25 181.00 2c7i h TYR 20 N 0.22 0.14 0.03 0.00 0.05 -0.95 0.20 116.97 116.66 2c7i h TYR 20 Ca 0.19 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 59.01 2c7i h TYR 20 Cb 0.22 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2c7i h TYR 20 CO -0.19 -0.09 -0.01 -0.44 -1.05 0.00 0.00 178.16 176.37 2c7i h ASP 21 N 0.21 -0.03 -0.99 3.88 3.32 -1.31 0.10 116.42 121.61 2c7i h ASP 21 Ca 0.34 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.26 2c7i h ASP 21 Cb 0.55 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 2c7i h ASP 21 CO -0.47 0.13 0.65 -0.08 -1.72 0.00 0.00 179.24 177.75 2c7i h GLU 22 N -0.19 1.29 -0.24 3.56 4.81 -1.08 -1.14 114.58 121.59 2c7i h GLU 22 Ca -0.00 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2c7i h GLU 22 Cb 0.18 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2c7i h GLU 22 CO 0.01 0.85 0.07 0.00 -0.73 0.00 0.00 179.01 179.21 2c7i h ALA 23 N 1.39 0.31 -0.42 2.92 0.00 -0.33 -0.68 119.26 122.45 2c7i h ALA 23 Ca 0.37 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2c7i h ALA 23 Cb -0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2c7i h ALA 23 CO -0.08 -0.06 0.02 0.82 0.00 0.00 0.00 179.25 179.94 2c7i h ILE 24 N 0.22 1.22 -0.17 0.00 2.04 -0.80 -1.37 117.51 118.65 2c7i h ILE 24 Ca 0.08 -0.88 -0.18 0.00 1.00 0.00 0.00 64.86 64.88 2c7i h ILE 24 Cb 0.23 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2c7i h ILE 24 CO -0.00 0.31 -0.62 0.22 0.00 0.00 0.00 178.15 178.05 2c7i h TYR 25 N 0.63 0.76 0.00 1.37 3.20 -1.06 -2.98 116.97 118.88 2c7i h TYR 25 Ca 0.13 -0.29 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 2c7i h TYR 25 Cb 0.37 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2c7i h TYR 25 CO 0.02 1.05 -1.07 0.54 -1.64 0.00 0.00 178.16 177.06 2c7i n ARG 26 N -3.93 0.61 0.00 1.82 1.74 -0.28 -3.44 116.66 113.18 2c7i n ARG 26 Ca -0.04 0.14 0.12 0.00 -0.77 0.00 0.00 57.85 57.30 2c7i n ARG 26 Cb 0.65 -1.83 0.28 0.00 -1.02 0.00 0.00 32.46 30.54 2c7i n ARG 26 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2c7i n SER 27 N -2.72 0.46 -4.69 0.55 3.41 -0.53 -4.90 113.62 105.20 2c7i n SER 27 Ca -0.02 -0.18 -0.44 0.00 -0.26 0.00 0.00 58.87 57.97 2c7i n SER 27 Cb 0.60 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 2c7i n SER 27 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2c7i n PHE 28 N -1.51 2.36 -4.91 7.33 7.35 -1.13 -5.01 117.46 121.94 2c7i n PHE 28 Ca 0.06 0.35 -0.33 0.00 -0.76 0.00 0.00 57.45 56.77 2c7i n PHE 28 Cb 0.34 -2.51 -0.14 0.00 0.35 0.00 0.00 39.48 37.51 2c7i n PHE 28 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2c7i s GLN 29 N -0.14 2.90 -0.08 -4.13 -0.21 -1.26 -4.95 119.66 111.78 2c7i s GLN 29 Ca 0.69 -0.73 -0.40 0.00 0.02 0.00 0.00 55.36 54.94 2c7i s GLN 29 Cb -0.61 -2.45 -0.18 0.00 1.00 0.00 0.00 33.01 30.76 2c7i s GLN 29 CO 0.47 0.40 1.31 0.98 -2.12 0.00 0.00 175.29 176.33 2c7i n TYR 30 N 2.95 1.24 0.00 0.91 9.36 -1.26 -0.41 117.16 129.95 2c7i n TYR 30 Ca -0.18 0.88 0.00 0.00 3.32 0.00 0.00 57.90 61.92 2c7i n TYR 30 Cb 0.52 -2.23 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 2c7i n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2c7i n GLY 31 N 2.49 3.03 3.53 2.98 0.00 -1.26 -5.08 105.19 110.88 2c7i n GLY 31 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2c7i n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c7i n ASP 32 N 0.00 -1.02 -4.77 1.61 8.00 0.45 -4.95 116.55 115.87 2c7i n ASP 32 Ca 0.00 0.06 -0.40 0.00 0.71 0.00 0.00 54.79 55.16 2c7i n ASP 32 Cb 0.00 -1.33 -0.02 0.00 -0.02 0.00 0.00 41.12 39.75 2c7i n ASP 32 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2c7i s LYS 33 N -4.44 4.20 0.57 -1.24 1.02 -1.26 -4.74 119.74 113.85 2c7i s LYS 33 Ca 0.67 2.06 -0.20 0.00 0.02 0.00 0.00 55.97 58.52 2c7i s LYS 33 Cb -0.24 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 2c7i s LYS 33 CO 0.63 -0.27 1.24 -1.25 -0.92 0.00 0.00 175.35 174.78 2c7i s PRO 34 N -2.01 3.08 -0.12 -1.68 0.04 -1.26 -4.73 135.00 128.31 2c7i s PRO 34 Ca 0.53 1.91 0.02 0.00 0.04 0.00 0.00 61.00 63.51 2c7i s PRO 34 Cb -0.36 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.14 2c7i s PRO 34 CO 0.47 -1.15 -0.20 0.42 0.04 0.00 0.00 177.00 176.58 2c7i s ILE 35 N -1.52 1.85 -0.28 0.56 1.01 -0.21 -0.37 121.20 122.24 2c7i s ILE 35 Ca 0.75 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 2c7i s ILE 35 Cb -0.33 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.52 2c7i s ILE 35 CO 0.36 0.51 0.01 -0.22 0.00 0.00 0.00 174.94 175.61 2c7i s LEU 36 N 0.81 3.65 -0.12 2.97 2.96 -0.26 -1.42 118.68 127.27 2c7i s LEU 36 Ca -0.09 -0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 52.87 2c7i s LEU 36 Cb -0.16 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2c7i s LEU 36 CO -0.00 -0.19 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.21 2c7i s ARG 37 N 1.37 3.28 -0.08 1.98 3.52 0.22 -1.13 118.95 128.12 2c7i s ARG 37 Ca -0.00 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 2c7i s ARG 37 Cb -0.18 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.35 2c7i s ARG 37 CO -0.01 0.50 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.79 2c7i s PHE 38 N -0.32 2.77 0.17 5.12 0.08 -0.60 -0.77 117.98 124.42 2c7i s PHE 38 Ca 0.06 -0.30 -0.23 0.00 0.12 0.00 0.00 56.93 56.58 2c7i s PHE 38 Cb -0.12 -1.72 0.07 0.00 -0.57 0.00 0.00 43.02 40.68 2c7i s PHE 38 CO 0.02 0.06 0.60 1.52 -0.10 0.00 0.00 175.22 177.33 2c7i s TYR 39 N -0.35 -0.51 0.20 0.36 -0.85 -0.30 -3.09 117.35 112.81 2c7i s TYR 39 Ca 0.04 0.28 0.11 0.00 -0.52 0.00 0.00 57.07 56.98 2c7i s TYR 39 Cb -0.12 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 2c7i s TYR 39 CO 0.02 -0.87 -0.22 1.03 -1.52 0.00 0.00 175.55 173.99 2c7i s ARG 40 N -3.76 1.48 0.14 -3.49 0.52 -1.26 0.07 118.95 112.65 2c7i s ARG 40 Ca 0.02 -1.53 0.06 0.00 -0.52 0.00 0.00 55.73 53.75 2c7i s ARG 40 Cb -0.01 -1.72 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 2c7i s ARG 40 CO -0.12 0.36 0.04 -1.01 0.02 0.00 0.00 175.30 174.59 2c7i s HIS 41 N -1.86 2.99 0.81 -0.53 3.76 -1.26 -3.76 115.29 115.44 2c7i s HIS 41 Ca 0.21 -0.06 -0.09 0.00 -0.15 0.00 0.00 55.06 54.97 2c7i s HIS 41 Cb -0.07 -1.48 0.13 0.00 1.11 0.00 0.00 32.58 32.27 2c7i s HIS 41 CO 0.10 0.51 1.14 0.34 -0.85 0.00 0.00 174.74 175.97 2c7i s ASP 42 N -2.74 4.04 -0.46 1.40 -1.08 -0.55 -2.65 116.67 114.63 2c7i s ASP 42 Ca 0.28 0.21 -0.41 0.00 -0.52 0.00 0.00 52.55 52.10 2c7i s ASP 42 Cb -0.10 -0.55 -0.18 0.00 -1.46 0.00 0.00 42.92 40.63 2c7i s ASP 42 CO 0.20 -2.11 1.86 0.54 0.52 0.00 0.00 175.17 176.18 2c7i n ARG 43 N -3.25 0.00 -3.69 4.34 1.74 -1.25 -4.54 116.66 110.02 2c7i n ARG 43 Ca 0.12 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.06 2c7i n ARG 43 Cb 0.60 -1.38 -0.08 0.00 -1.02 0.00 0.00 32.46 30.58 2c7i n ARG 43 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2c7i s SER 44 N 4.90 -0.40 -0.17 0.55 0.01 -0.42 -2.17 113.70 116.01 2c7i s SER 44 Ca 1.07 0.50 -0.03 0.00 1.31 0.00 0.00 55.95 58.80 2c7i s SER 44 Cb -1.38 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 2c7i s SER 44 CO 0.64 -0.40 -0.04 -0.69 0.41 0.00 0.00 173.24 173.16 2c7i s VAL 45 N -0.81 3.74 -0.23 3.43 1.01 0.15 -0.53 120.40 127.17 2c7i s VAL 45 Ca -0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2c7i s VAL 45 Cb -0.03 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 2c7i s VAL 45 CO 0.04 0.48 -0.03 -0.63 0.00 0.00 0.00 175.10 174.96 2c7i s ILE 46 N 0.58 3.37 0.19 2.22 1.01 -0.23 -1.35 121.20 127.00 2c7i s ILE 46 Ca -0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 2c7i s ILE 46 Cb -0.14 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2c7i s ILE 46 CO 0.03 0.38 0.39 0.27 0.00 0.00 0.00 174.94 176.00 2c7i s ILE 47 N 1.47 5.21 0.75 2.92 -4.36 -0.14 -1.32 121.20 125.72 2c7i s ILE 47 Ca 0.05 -0.34 -0.11 0.00 -0.26 0.00 0.00 60.65 59.99 2c7i s ILE 47 Cb -0.15 -3.72 0.04 0.00 1.25 0.00 0.00 42.46 39.88 2c7i s ILE 47 CO -0.03 -0.15 1.10 -0.83 0.24 0.00 0.00 174.94 175.26 2c7i s GLY 48 N -3.10 1.78 0.32 6.27 0.00 -1.25 -1.81 107.32 109.53 2c7i s GLY 48 Ca 0.38 0.33 0.10 0.00 0.00 0.00 0.00 44.72 45.53 2c7i s GLY 48 CO 0.29 0.67 1.71 -1.82 0.00 0.00 0.00 173.10 173.95 2c7i h TYR 49 N -0.87 0.97 -0.48 1.90 3.20 -1.03 -2.19 116.97 118.46 2c7i h TYR 49 Ca -0.44 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2c7i h TYR 49 Cb 1.23 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2c7i h TYR 49 CO 0.57 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 178.28 2c7i n PHE 50 N -4.94 0.63 -3.22 -3.82 3.72 -1.26 -4.99 117.46 103.59 2c7i n PHE 50 Ca 0.28 -0.32 -0.34 0.00 -0.05 0.00 0.00 57.45 57.02 2c7i n PHE 50 Cb 0.79 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.27 2c7i n PHE 50 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2c7i s GLN 51 N -1.37 4.05 -0.29 -1.08 -0.21 -0.83 -5.05 119.66 114.88 2c7i s GLN 51 Ca 0.39 0.63 -0.21 0.00 0.02 0.00 0.00 55.36 56.19 2c7i s GLN 51 Cb 0.21 -2.72 -0.01 0.00 1.00 0.00 0.00 33.01 31.49 2c7i s GLN 51 CO 0.29 0.33 0.66 0.08 -2.12 0.00 0.00 175.29 174.53 2c7i s VAL 52 N -1.69 4.92 0.13 1.09 1.01 -1.26 -4.94 120.40 119.67 2c7i s VAL 52 Ca 0.46 0.97 -0.20 0.00 0.00 0.00 0.00 61.98 63.21 2c7i s VAL 52 Cb -0.14 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2c7i s VAL 52 CO 0.19 -0.12 1.69 0.00 0.00 0.00 0.00 175.10 176.87 2c7i h ALA 53 N 8.11 0.10 0.00 5.51 0.00 -1.89 -2.59 119.26 128.49 2c7i h ALA 53 Ca -0.26 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2c7i h ALA 53 Cb 1.12 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2c7i h ALA 53 CO 0.81 -0.50 -0.05 1.05 0.00 0.00 0.00 179.25 180.55 2c7i h GLU 54 N -0.05 0.00 0.00 0.00 9.09 -1.94 0.91 114.58 122.59 2c7i h GLU 54 Ca 0.10 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.43 2c7i h GLU 54 Cb 0.20 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.29 2c7i h GLU 54 CO -0.23 0.05 -0.41 0.93 0.05 0.00 0.00 179.01 179.40 2c7i h GLU 55 N 0.00 0.00 0.00 1.06 5.08 -1.90 -3.38 114.58 115.45 2c7i h GLU 55 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 2c7i h GLU 55 Cb 0.40 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 2c7i h GLU 55 CO 0.01 0.41 -2.12 0.39 -1.00 0.00 0.00 179.01 176.70 2c7i n GLU 56 N -3.21 1.21 -4.05 2.33 -0.58 -0.02 -4.85 120.64 111.47 2c7i n GLU 56 Ca 0.02 0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.66 2c7i n GLU 56 Cb 0.69 -1.42 -0.11 0.00 -0.57 0.00 0.00 31.44 30.04 2c7i n GLU 56 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2c7i s VAL 57 N -2.40 0.41 -0.64 2.62 -7.23 0.11 -1.32 120.40 111.96 2c7i s VAL 57 Ca -0.11 -1.15 -0.27 0.00 -1.81 0.00 0.00 61.98 58.63 2c7i s VAL 57 Cb 0.05 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.36 2c7i s VAL 57 CO 0.63 -0.50 1.36 -0.62 -0.31 0.00 0.00 175.10 175.67 2c7i s ASP 58 N -1.75 6.12 0.16 4.85 -1.08 -0.93 -4.49 116.67 119.55 2c7i s ASP 58 Ca -0.09 -0.03 0.04 0.00 -0.52 0.00 0.00 52.55 51.95 2c7i s ASP 58 Cb -0.08 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.80 2c7i s ASP 58 CO -0.01 -1.78 1.36 -0.07 0.52 0.00 0.00 175.17 175.19 2c7i h LEU 59 N 13.17 0.17 -0.16 -1.34 3.38 -1.90 -2.56 115.31 126.07 2c7i h LEU 59 Ca -0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2c7i h LEU 59 Cb 1.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2c7i h LEU 59 CO 1.22 0.98 0.06 -0.78 0.09 0.00 0.00 178.44 180.02 2c7i h ASP 60 N 0.06 0.22 1.01 -0.43 3.58 -2.01 -2.38 116.42 116.48 2c7i h ASP 60 Ca -0.04 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.25 2c7i h ASP 60 Cb 1.55 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2c7i h ASP 60 CO 0.13 0.33 0.00 0.22 -2.88 0.00 0.00 179.24 177.04 2c7i h TYR 61 N 0.10 0.00 0.24 0.28 3.20 -1.98 -2.62 116.97 116.19 2c7i h TYR 61 Ca 0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2c7i h TYR 61 Cb 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2c7i h TYR 61 CO -0.01 0.00 -0.11 0.52 -1.64 0.00 0.00 178.16 176.91 2c7i h MET 62 N 0.00 -0.31 -0.17 1.82 2.86 -1.14 -2.56 114.93 115.44 2c7i h MET 62 Ca 0.00 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2c7i h MET 62 Cb 0.51 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2c7i h MET 62 CO 0.00 0.06 -0.18 0.87 1.06 0.00 0.00 176.91 178.72 2c7i h LYS 63 N -0.88 -0.10 -1.25 1.72 6.56 -1.40 0.84 116.57 122.04 2c7i h LYS 63 Ca -0.03 0.01 0.37 0.00 -1.06 0.00 0.00 60.65 59.93 2c7i h LYS 63 Cb 0.51 0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 32.10 2c7i h LYS 63 CO 0.05 -0.07 0.84 1.57 -2.06 0.00 0.00 179.45 179.79 2c7i h LYS 64 N -0.11 0.16 -0.65 3.15 2.10 -1.57 0.57 116.57 120.22 2c7i h LYS 64 Ca 0.03 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2c7i h LYS 64 Cb 0.18 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2c7i h LYS 64 CO -0.22 0.10 0.00 0.09 -2.00 0.00 0.00 179.45 177.43 2c7i n ASN 65 N -4.47 4.63 -3.28 7.07 4.13 -0.74 -4.95 115.26 117.64 2c7i n ASN 65 Ca 0.31 -2.39 -0.24 0.00 1.68 0.00 0.00 54.58 53.95 2c7i n ASN 65 Cb 1.25 -0.56 0.04 0.00 -1.54 0.00 0.00 39.78 38.97 2c7i n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2c7i n GLY 66 N 1.17 -0.52 3.63 7.41 0.00 0.20 -4.97 105.19 112.11 2c7i n GLY 66 Ca 0.25 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 46.05 2c7i n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c7i s ILE 67 N -3.19 5.17 0.09 -0.61 1.01 0.17 -4.85 121.20 118.99 2c7i s ILE 67 Ca 0.42 0.66 -0.30 0.00 0.00 0.00 0.00 60.65 61.42 2c7i s ILE 67 Cb -0.19 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 2c7i s ILE 67 CO 0.51 0.18 1.19 -0.32 0.00 0.00 0.00 174.94 176.51 2c7i s MET 68 N 1.81 4.45 -0.10 2.79 -2.45 -0.92 -4.42 119.30 120.46 2c7i s MET 68 Ca 0.17 1.79 -0.20 0.00 -1.25 0.00 0.00 55.69 56.20 2c7i s MET 68 Cb -0.15 -3.32 -0.04 0.00 1.25 0.00 0.00 34.83 32.56 2c7i s MET 68 CO 0.09 -0.20 0.54 -1.17 1.05 0.00 0.00 175.02 175.33 2c7i s LEU 69 N 0.73 4.29 0.00 4.11 2.96 -1.26 0.35 118.68 129.87 2c7i s LEU 69 Ca 0.57 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 55.43 2c7i s LEU 69 Cb -0.30 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.57 2c7i s LEU 69 CO 0.31 -0.03 -0.05 0.00 -1.32 0.00 0.00 176.35 175.26 2c7i s ALA 70 N 0.64 0.39 -0.15 5.97 0.00 -0.46 -4.96 121.76 123.20 2c7i s ALA 70 Ca 0.29 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 2c7i s ALA 70 Cb -0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2c7i s ALA 70 CO 0.13 0.06 0.14 0.50 0.00 0.00 0.00 175.76 176.59 2c7i s ARG 71 N -0.39 3.70 0.48 0.00 3.52 -1.26 -0.96 118.95 124.03 2c7i s ARG 71 Ca -0.01 -0.15 0.08 0.00 -0.13 0.00 0.00 55.73 55.52 2c7i s ARG 71 Cb -0.03 -3.27 0.03 0.00 -1.56 0.00 0.00 34.95 30.12 2c7i s ARG 71 CO -0.00 0.62 0.58 -0.98 -0.81 0.00 0.00 175.30 174.71 2c7i s ARG 72 N -0.56 2.56 0.15 5.12 1.70 -0.75 -4.94 118.95 122.23 2c7i s ARG 72 Ca 0.13 -1.49 0.02 0.00 -0.47 0.00 0.00 55.73 53.92 2c7i s ARG 72 Cb -0.12 -2.59 -0.07 0.00 -0.57 0.00 0.00 34.95 31.60 2c7i s ARG 72 CO 0.02 -0.46 1.33 -0.92 -1.08 0.00 0.00 175.30 174.19 2c7i h TYR 73 N 0.59 0.30 -4.49 5.89 3.20 -1.91 -3.09 116.97 117.46 2c7i h TYR 73 Ca -0.37 -0.18 -0.49 0.00 3.14 0.00 0.00 58.73 60.83 2c7i h TYR 73 Cb 1.28 -0.03 0.08 0.00 1.54 0.00 0.00 36.73 39.60 2c7i h TYR 73 CO 0.48 1.03 0.41 0.95 -1.64 0.00 0.00 178.16 179.40 2c7i s THR 74 N -3.08 3.29 0.00 1.81 -4.23 -1.26 -4.59 115.64 107.58 2c7i s THR 74 Ca -0.03 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2c7i s THR 74 Cb 0.10 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2c7i s THR 74 CO 0.84 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 2c7i n GLY 75 N -3.03 -0.60 0.00 3.99 0.00 -1.26 -1.10 105.19 103.18 2c7i n GLY 75 Ca 0.07 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2c7i n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7i n GLY 76 N 5.00 -2.69 0.50 -0.02 0.00 -1.26 -4.70 105.19 102.02 2c7i n GLY 76 Ca 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 46.02 43.90 2c7i n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7i n GLY 77 N -0.01 1.97 3.82 -0.02 0.00 -1.26 -3.77 105.19 105.92 2c7i n GLY 77 Ca 0.00 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 2c7i n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c7i s ALA 78 N -2.09 3.42 -0.02 4.61 0.00 -1.26 -3.93 121.76 122.49 2c7i s ALA 78 Ca 0.08 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.13 2c7i s ALA 78 Cb -0.01 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.32 2c7i s ALA 78 CO 0.05 0.33 0.13 0.14 0.00 0.00 0.00 175.76 176.41 2c7i s VAL 79 N -1.52 0.04 -0.13 0.00 -7.23 -0.44 -4.99 120.40 106.14 2c7i s VAL 79 Ca 0.43 -0.35 -0.11 0.00 -1.81 0.00 0.00 61.98 60.13 2c7i s VAL 79 Cb -0.17 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.43 2c7i s VAL 79 CO 0.21 -0.19 0.22 -0.47 -0.31 0.00 0.00 175.10 174.55 2c7i s TYR 80 N -0.64 3.53 0.09 2.82 5.04 -1.26 -1.06 117.35 125.86 2c7i s TYR 80 Ca -0.07 0.56 0.10 0.00 -2.44 0.00 0.00 57.07 55.22 2c7i s TYR 80 Cb -0.04 -2.16 -0.04 0.00 0.35 0.00 0.00 41.96 40.07 2c7i s TYR 80 CO 0.01 0.47 -0.24 -1.01 -1.34 0.00 0.00 175.55 173.44 2c7i s HIS 81 N -0.26 2.40 0.10 4.97 3.76 0.32 -4.99 115.29 121.59 2c7i s HIS 81 Ca 0.15 -0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 54.71 2c7i s HIS 81 Cb -0.13 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.23 2c7i s HIS 81 CO 0.04 0.29 0.14 -0.40 -0.85 0.00 0.00 174.74 173.96 2c7i n ASP 82 N 1.19 -0.40 0.00 1.40 5.68 -1.24 -1.31 116.55 121.87 2c7i n ASP 82 Ca -0.17 -1.57 0.08 0.00 -0.50 0.00 0.00 54.79 52.63 2c7i n ASP 82 Cb 0.53 0.75 0.34 0.00 -1.14 0.00 0.00 41.12 41.60 2c7i n ASP 82 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c7i n LEU 83 N 0.00 0.00 -0.10 -2.12 4.77 -1.08 -1.54 117.00 116.93 2c7i n LEU 83 Ca 0.00 0.50 0.15 0.00 -0.03 0.00 0.00 56.01 56.63 2c7i n LEU 83 Cb 0.18 -0.50 0.72 0.00 -2.33 0.00 0.00 43.42 41.49 2c7i n LEU 83 CO 0.09 -0.22 0.96 0.61 -1.33 0.00 0.00 177.39 177.50 2c7i n GLY 84 N 0.15 -0.93 3.71 -0.72 0.00 -1.26 -4.79 105.19 101.35 2c7i n GLY 84 Ca 0.04 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2c7i n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c7i s ASP 85 N -2.32 6.11 -0.30 1.61 1.01 -0.59 -0.25 116.67 121.93 2c7i s ASP 85 Ca 0.35 0.20 -0.14 0.00 0.71 0.00 0.00 52.55 53.66 2c7i s ASP 85 Cb 0.21 -2.07 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 2c7i s ASP 85 CO 0.43 0.17 0.33 -0.22 0.21 0.00 0.00 175.17 176.10 2c7i s LEU 86 N 0.39 4.17 0.18 1.23 2.96 -0.11 -4.57 118.68 122.94 2c7i s LEU 86 Ca 0.07 0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.93 2c7i s LEU 86 Cb -0.11 -2.33 -0.07 0.00 0.50 0.00 0.00 46.19 44.18 2c7i s LEU 86 CO -0.01 -0.21 0.50 0.20 -1.32 0.00 0.00 176.35 175.51 2c7i s ASN 87 N 1.70 6.63 -0.06 3.68 0.02 0.11 -0.63 114.94 126.39 2c7i s ASN 87 Ca 0.12 0.87 -0.15 0.00 -1.02 0.00 0.00 52.86 52.68 2c7i s ASN 87 Cb -0.16 -2.20 0.03 0.00 0.02 0.00 0.00 41.25 38.93 2c7i s ASN 87 CO 0.11 0.00 0.34 0.72 0.02 0.00 0.00 177.10 178.29 2c7i s PHE 88 N -1.69 -0.28 0.06 2.20 -0.12 -0.55 -1.15 117.98 116.45 2c7i s PHE 88 Ca 0.43 0.57 0.04 0.00 -0.05 0.00 0.00 56.93 57.92 2c7i s PHE 88 Cb -0.12 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 2c7i s PHE 88 CO 0.21 -0.32 -0.12 -1.54 -0.05 0.00 0.00 175.22 173.40 2c7i s SER 89 N -0.75 1.34 -0.08 1.98 1.04 0.05 -0.54 113.70 116.74 2c7i s SER 89 Ca -0.08 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.77 2c7i s SER 89 Cb -0.04 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.08 2c7i s SER 89 CO 0.03 -0.13 -0.11 -0.69 0.98 0.00 0.00 173.24 173.32 2c7i s VAL 90 N -1.31 1.15 -0.14 5.02 1.01 0.11 -0.61 120.40 125.63 2c7i s VAL 90 Ca -0.05 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2c7i s VAL 90 Cb -0.10 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2c7i s VAL 90 CO 0.01 0.37 -0.21 -0.69 0.00 0.00 0.00 175.10 174.58 2c7i s VAL 91 N 0.98 2.14 0.09 2.92 1.01 -0.51 -1.35 120.40 125.68 2c7i s VAL 91 Ca -0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 2c7i s VAL 91 Cb -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2c7i s VAL 91 CO -0.00 0.55 -0.01 -0.13 0.00 0.00 0.00 175.10 175.51 2c7i s ARG 92 N 0.74 0.76 0.50 2.72 0.52 -0.91 -1.04 118.95 122.23 2c7i s ARG 92 Ca -0.09 -1.32 -0.23 0.00 -0.52 0.00 0.00 55.73 53.58 2c7i s ARG 92 Cb -0.16 0.14 -0.07 0.00 0.52 0.00 0.00 34.95 35.38 2c7i s ARG 92 CO -0.00 -0.14 1.29 0.43 0.02 0.00 0.00 175.30 176.89 2c7i n SER 93 N 0.01 2.46 -3.98 0.23 7.64 -1.26 -1.20 113.62 117.52 2c7i n SER 93 Ca -0.11 1.01 -0.20 0.00 1.01 0.00 0.00 58.87 60.58 2c7i n SER 93 Cb 0.62 -1.53 -0.16 0.00 -1.01 0.00 0.00 64.21 62.13 2c7i n SER 93 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2c7i s SER 94 N -0.78 1.15 0.00 6.43 0.15 -0.39 -4.71 113.70 115.54 2c7i s SER 94 Ca 0.68 -0.18 0.17 0.00 0.70 0.00 0.00 55.95 57.32 2c7i s SER 94 Cb -0.45 -0.36 0.06 0.00 -1.71 0.00 0.00 66.02 63.56 2c7i s SER 94 CO 0.53 0.04 0.95 0.47 1.20 0.00 0.00 173.24 176.42 2c7i n ASP 95 N 3.44 2.01 -3.03 5.45 8.00 -1.26 -3.78 116.55 127.39 2c7i n ASP 95 Ca -0.20 -1.51 -0.14 0.00 0.71 0.00 0.00 54.79 53.66 2c7i n ASP 95 Cb 0.54 0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.86 2c7i n ASP 95 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2c7i s ASP 96 N -1.67 0.80 -0.28 -2.24 1.47 -1.26 -5.05 116.67 108.44 2c7i s ASP 96 Ca 0.17 -1.46 0.09 0.00 1.18 0.00 0.00 52.55 52.52 2c7i s ASP 96 Cb 0.14 0.74 0.48 0.00 -0.34 0.00 0.00 42.92 43.94 2c7i s ASP 96 CO 0.31 -1.44 1.41 0.23 0.68 0.00 0.00 175.17 176.36 2c7i n MET 97 N -0.59 1.90 -2.81 2.11 2.81 -1.26 -4.91 117.12 114.36 2c7i n MET 97 Ca -0.01 -3.29 -0.43 0.00 -1.81 0.00 0.00 57.70 52.16 2c7i n MET 97 Cb 0.61 -1.81 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 2c7i n MET 97 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2c7i s ASP 98 N -2.76 6.74 0.23 7.83 2.15 -1.26 -4.80 116.67 124.81 2c7i s ASP 98 Ca 0.44 -2.21 0.06 0.00 0.43 0.00 0.00 52.55 51.27 2c7i s ASP 98 Cb 0.40 -2.46 0.22 0.00 -0.30 0.00 0.00 42.92 40.78 2c7i s ASP 98 CO -0.02 -1.09 1.53 -0.29 -0.17 0.00 0.00 175.17 175.13 2c7i h ILE 99 N 5.71 1.43 -0.79 4.11 2.10 -2.00 -2.85 117.51 125.22 2c7i h ILE 99 Ca 0.24 -2.19 0.07 0.00 1.08 0.00 0.00 64.86 64.07 2c7i h ILE 99 Cb 0.96 2.16 -0.06 0.00 -1.09 0.00 0.00 36.82 38.79 2c7i h ILE 99 CO 1.25 0.64 0.46 0.74 -1.08 0.00 0.00 178.15 180.16 2c7i h THR 100 N 0.10 0.97 0.00 2.19 2.02 -2.00 -1.70 112.91 114.50 2c7i h THR 100 Ca -0.01 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.74 2c7i h THR 100 Cb 1.20 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2c7i h THR 100 CO 0.10 0.15 -0.66 0.28 0.37 0.00 0.00 175.52 175.76 2c7i h SER 101 N 0.82 0.00 0.21 4.18 0.02 -1.94 -1.81 113.55 115.03 2c7i h SER 101 Ca 0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 2c7i h SER 101 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2c7i h SER 101 CO -0.20 0.66 -0.10 -0.03 -1.14 0.00 0.00 176.83 176.02 2c7i h MET 102 N 0.00 -0.27 -0.63 3.45 -1.53 -1.22 0.10 114.93 114.84 2c7i h MET 102 Ca -0.01 0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.30 2c7i h MET 102 Cb 1.33 0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 32.40 2c7i h MET 102 CO 0.09 -0.08 0.39 0.74 0.14 0.00 0.00 176.91 178.19 2c7i h PHE 103 N -0.41 0.73 -0.68 1.39 0.04 -1.25 -0.77 116.94 115.99 2c7i h PHE 103 Ca -0.03 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2c7i h PHE 103 Cb 0.32 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 2c7i h PHE 103 CO -0.02 0.42 0.39 -0.09 -0.60 0.00 0.00 178.31 178.41 2c7i h ARG 104 N 0.77 0.94 -0.49 1.51 2.43 -1.22 0.68 114.38 119.01 2c7i h ARG 104 Ca 0.25 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 2c7i h ARG 104 Cb 0.01 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2c7i h ARG 104 CO -0.10 0.69 -0.08 1.15 -1.51 0.00 0.00 179.97 180.12 2c7i h THR 105 N 0.93 1.27 -0.29 0.20 2.02 -0.37 -1.22 112.91 115.45 2c7i h THR 105 Ca 0.24 -1.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.08 2c7i h THR 105 Cb 0.01 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2c7i h THR 105 CO -0.04 0.42 -0.39 0.24 0.37 0.00 0.00 175.52 176.12 2c7i h MET 106 N 0.77 0.68 -0.74 6.66 2.86 -0.92 -2.46 114.93 121.77 2c7i h MET 106 Ca 0.13 -0.34 -0.06 0.00 -2.06 0.00 0.00 59.70 57.36 2c7i h MET 106 Cb 0.63 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 2c7i h MET 106 CO 0.04 0.95 0.22 -0.91 1.06 0.00 0.00 176.91 178.27 2c7i h ASN 107 N 0.56 1.09 -0.46 1.22 2.35 -0.70 -0.28 115.58 119.36 2c7i h ASN 107 Ca 0.05 -0.21 0.04 0.00 -0.55 0.00 0.00 56.30 55.63 2c7i h ASN 107 Cb 0.92 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 2c7i h ASN 107 CO 0.08 1.02 0.23 -0.08 -1.65 0.00 0.00 177.43 177.02 2c7i h GLU 108 N 1.11 0.44 -0.76 0.81 4.81 -1.02 0.12 114.58 120.08 2c7i h GLU 108 Ca 0.24 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 2c7i h GLU 108 Cb 0.33 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2c7i h GLU 108 CO -0.00 0.29 0.28 0.00 -0.73 0.00 0.00 179.01 178.85 2c7i h ALA 109 N 1.25 0.99 -0.18 2.92 0.00 -0.96 -0.85 119.26 122.44 2c7i h ALA 109 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2c7i h ALA 109 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2c7i h ALA 109 CO -0.15 0.64 0.09 0.28 0.00 0.00 0.00 179.25 180.11 2c7i h VAL 110 N 1.11 1.12 -0.84 0.00 2.07 -0.70 -1.26 116.25 117.75 2c7i h VAL 110 Ca 0.25 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2c7i h VAL 110 Cb 0.25 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2c7i h VAL 110 CO -0.02 0.11 0.53 0.58 0.02 0.00 0.00 177.57 178.79 2c7i h VAL 111 N 0.18 1.08 -0.55 2.57 2.07 -0.43 0.33 116.25 121.50 2c7i h VAL 111 Ca 0.06 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 2c7i h VAL 111 Cb 0.10 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 2c7i h VAL 111 CO -0.01 0.18 -0.09 0.78 0.02 0.00 0.00 177.57 178.45 2c7i h ASN 112 N 1.00 1.04 -0.47 0.57 2.35 -1.10 -1.87 115.58 117.09 2c7i h ASN 112 Ca 0.35 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2c7i h ASN 112 Cb 0.09 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2c7i h ASN 112 CO -0.14 1.14 0.25 0.28 -1.65 0.00 0.00 177.43 177.31 2c7i h SER 113 N 0.92 0.59 -0.27 5.81 0.02 -0.37 -3.04 113.55 117.21 2c7i h SER 113 Ca 0.14 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 2c7i h SER 113 Cb 0.66 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2c7i h SER 113 CO 0.05 0.52 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.99 2c7i h LEU 114 N 0.62 0.74 -1.29 5.07 3.38 -0.80 -2.20 115.31 120.83 2c7i h LEU 114 Ca 0.16 -0.25 0.19 0.00 0.09 0.00 0.00 57.88 58.08 2c7i h LEU 114 Cb 0.06 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.53 2c7i h LEU 114 CO -0.03 0.93 0.61 -0.09 0.09 0.00 0.00 178.44 179.95 2c7i h ARG 115 N 0.65 0.56 -0.49 1.13 2.43 -1.24 0.52 114.38 117.95 2c7i h ARG 115 Ca 0.10 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2c7i h ARG 115 Cb 0.68 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2c7i h ARG 115 CO 0.05 0.37 0.25 0.82 -1.51 0.00 0.00 179.97 179.96 2c7i h ILE 116 N 0.58 1.16 -0.00 1.20 2.04 -1.29 -0.60 117.51 120.60 2c7i h ILE 116 Ca 0.52 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2c7i h ILE 116 Cb 1.04 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2c7i h ILE 116 CO -0.26 0.17 -0.09 0.18 0.00 0.00 0.00 178.15 178.15 2c7i n LEU 117 N -4.40 0.23 0.00 1.44 4.77 0.08 -4.91 117.00 114.20 2c7i n LEU 117 Ca 0.04 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2c7i n LEU 117 Cb 0.11 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2c7i n LEU 117 CO 0.37 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2c7i n GLY 118 N 1.34 0.55 3.39 -0.72 0.00 -0.23 -4.96 105.19 104.56 2c7i n GLY 118 Ca 0.12 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 2c7i n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2c7i s LEU 119 N 0.00 3.05 -0.22 0.99 2.96 -0.61 -4.97 118.68 119.88 2c7i s LEU 119 Ca 0.00 -0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 53.44 2c7i s LEU 119 Cb 0.00 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2c7i s LEU 119 CO 0.00 0.05 0.53 -0.62 -1.32 0.00 0.00 176.35 175.00 2c7i s ASP 120 N 1.04 6.53 0.10 3.68 -1.08 -1.26 -3.04 116.67 122.64 2c7i s ASP 120 Ca 0.01 0.64 -0.10 0.00 -0.52 0.00 0.00 52.55 52.57 2c7i s ASP 120 Cb -0.15 -2.30 0.01 0.00 -1.46 0.00 0.00 42.92 39.03 2c7i s ASP 120 CO 0.01 -0.24 0.24 0.00 0.52 0.00 0.00 175.17 175.70 2c7i s ALA 121 N 1.95 -0.39 0.02 3.66 0.00 -1.26 -4.33 121.76 121.41 2c7i s ALA 121 Ca 0.24 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 2c7i s ALA 121 Cb -0.15 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 2c7i s ALA 121 CO 0.09 -0.54 0.08 1.03 0.00 0.00 0.00 175.76 176.42 2c7i s ARG 122 N -3.85 0.48 0.39 0.00 0.52 -0.22 -4.85 118.95 111.42 2c7i s ARG 122 Ca 0.05 -0.56 -0.27 0.00 -0.52 0.00 0.00 55.73 54.42 2c7i s ARG 122 Cb 0.04 0.19 -0.10 0.00 0.52 0.00 0.00 34.95 35.60 2c7i s ARG 122 CO -0.11 -0.11 1.40 -1.25 0.02 0.00 0.00 175.30 175.25 2c7i s PRO 123 N -1.79 4.03 1.24 3.54 0.04 -1.26 -0.19 135.00 140.62 2c7i s PRO 123 Ca -0.12 2.38 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 2c7i s PRO 123 Cb -0.06 -2.88 0.30 0.00 0.04 0.00 0.00 34.50 31.91 2c7i s PRO 123 CO -0.01 -0.52 0.90 0.41 0.04 0.00 0.00 177.00 177.82 2c7i n GLY 124 N 0.60 -2.46 0.00 0.56 0.00 -0.29 -4.84 105.19 98.77 2c7i n GLY 124 Ca 0.02 -1.25 0.01 0.00 0.00 0.00 0.00 46.02 44.80 2c7i n GLY 124 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c7i n GLU 125 N -4.90 6.03 -3.66 1.61 0.28 -0.93 -3.79 120.64 115.27 2c7i n GLU 125 Ca 0.04 -0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.68 2c7i n GLU 125 Cb 0.55 -0.63 -0.05 0.00 1.43 0.00 0.00 31.44 32.74 2c7i n GLU 125 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2c7i s LEU 126 N -2.14 4.37 0.00 -1.84 1.43 -0.13 -4.86 118.68 115.51 2c7i s LEU 126 Ca 0.01 0.69 0.27 0.00 -1.03 0.00 0.00 54.13 54.07 2c7i s LEU 126 Cb 0.02 -2.77 0.79 0.00 0.03 0.00 0.00 46.19 44.26 2c7i s LEU 126 CO 0.11 0.23 1.61 0.59 0.23 0.00 0.00 176.35 179.12 2c7i n ASN 127 N 1.12 0.35 -4.56 2.29 3.02 -1.26 -2.78 115.26 113.44 2c7i n ASN 127 Ca -0.10 -0.05 -0.40 0.00 -0.03 0.00 0.00 54.58 54.00 2c7i n ASN 127 Cb 0.53 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 2c7i n ASN 127 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2c7i s ASP 128 N -2.95 5.50 0.14 6.41 -1.08 -1.26 -4.85 116.67 118.58 2c7i s ASP 128 Ca 0.13 0.56 0.15 0.00 -0.52 0.00 0.00 52.55 52.87 2c7i s ASP 128 Cb 0.18 -2.53 0.70 0.00 -1.46 0.00 0.00 42.92 39.81 2c7i s ASP 128 CO 0.63 -2.15 1.47 0.55 0.52 0.00 0.00 175.17 176.18 2c7i n VAL 129 N 7.22 1.19 0.88 1.11 3.14 -1.26 -2.99 118.33 127.63 2c7i n VAL 129 Ca 0.20 0.41 0.10 0.00 -2.96 0.00 0.00 64.34 62.09 2c7i n VAL 129 Cb 0.51 -1.32 0.07 0.00 -1.06 0.00 0.00 33.84 32.04 2c7i n VAL 129 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2c7i n SER 130 N -1.87 2.58 -4.87 6.55 3.41 -1.26 -4.90 113.62 113.27 2c7i n SER 130 Ca 0.01 -1.79 -0.31 0.00 -0.26 0.00 0.00 58.87 56.52 2c7i n SER 130 Cb 0.12 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 2c7i n SER 130 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2c7i s ILE 131 N -1.86 4.77 0.17 -1.33 -4.36 -1.16 -5.01 121.20 112.43 2c7i s ILE 131 Ca 0.23 0.70 -0.11 0.00 -0.26 0.00 0.00 60.65 61.21 2c7i s ILE 131 Cb 0.17 -3.68 0.07 0.00 1.25 0.00 0.00 42.46 40.28 2c7i s ILE 131 CO 0.31 -0.35 1.68 1.55 0.24 0.00 0.00 174.94 178.37 2c7i h PRO 132 N 1.76 0.98 -4.78 0.37 0.13 -1.93 -3.46 132.00 125.06 2c7i h PRO 132 Ca -0.47 -0.25 -0.34 0.00 -0.87 0.00 0.00 66.00 64.07 2c7i h PRO 132 Cb 1.18 -0.12 -0.14 0.00 0.13 0.00 0.00 31.00 32.04 2c7i h PRO 132 CO 0.65 0.91 -0.59 0.14 -0.23 0.00 0.00 178.00 178.88 2c7i s VAL 133 N -5.26 0.25 -1.16 1.56 -7.23 -1.26 -4.89 120.40 102.40 2c7i s VAL 133 Ca -0.12 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 2c7i s VAL 133 Cb 0.13 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2c7i s VAL 133 CO 0.83 0.00 0.00 -3.20 -0.31 0.00 0.00 175.10 172.42 2c7i n ASN 134 N -0.62 -4.20 -4.90 4.85 5.15 -1.26 -4.98 115.26 109.29 2c7i n ASN 134 Ca 0.02 0.19 -0.28 0.00 -0.60 0.00 0.00 54.58 53.91 2c7i n ASN 134 Cb 0.65 -2.95 0.01 0.00 -0.53 0.00 0.00 39.78 36.96 2c7i n ASN 134 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2c7i s LYS 135 N -3.51 3.41 0.21 1.20 1.02 -1.26 -0.96 119.74 119.85 2c7i s LYS 135 Ca 0.00 0.29 0.20 0.00 0.02 0.00 0.00 55.97 56.48 2c7i s LYS 135 Cb 0.00 -2.28 0.89 0.00 -0.52 0.00 0.00 37.83 35.93 2c7i s LYS 135 CO 0.00 -0.41 1.61 1.63 -0.92 0.00 0.00 175.35 177.26 2c7i n LYS 136 N -2.46 0.14 0.01 1.68 5.02 -1.12 -1.67 118.16 119.76 2c7i n LYS 136 Ca 0.03 0.44 0.11 0.00 -2.02 0.00 0.00 58.31 56.87 2c7i n LYS 136 Cb 0.55 -1.80 0.08 0.00 -0.02 0.00 0.00 35.03 33.84 2c7i n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2c7i n THR 137 N -2.07 0.07 -3.23 -0.18 -2.24 -1.26 -4.65 114.28 100.72 2c7i n THR 137 Ca 0.02 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 2c7i n THR 137 Cb 0.17 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 2c7i n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2c7i s ASP 138 N -3.35 6.64 -0.12 3.42 1.01 -0.67 -2.89 116.67 120.71 2c7i s ASP 138 Ca 0.08 1.05 -0.01 0.00 0.71 0.00 0.00 52.55 54.38 2c7i s ASP 138 Cb 0.16 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 2c7i s ASP 138 CO 0.78 -0.18 -0.10 -0.63 0.21 0.00 0.00 175.17 175.25 2c7i s ILE 139 N -1.99 3.35 -0.12 0.77 -1.09 -0.19 -1.13 121.20 120.80 2c7i s ILE 139 Ca 0.50 -0.57 0.03 0.00 -2.23 0.00 0.00 60.65 58.38 2c7i s ILE 139 Cb -0.11 -2.41 0.00 0.00 -1.58 0.00 0.00 42.46 38.37 2c7i s ILE 139 CO 0.22 0.53 -0.23 -0.04 -1.23 0.00 0.00 174.94 174.20 2c7i s MET 140 N 0.10 2.99 -0.81 2.79 -1.94 0.74 -1.49 119.30 121.68 2c7i s MET 140 Ca -0.04 -0.85 -0.18 0.00 -1.71 0.00 0.00 55.69 52.91 2c7i s MET 140 Cb -0.14 -2.33 0.15 0.00 2.01 0.00 0.00 34.83 34.52 2c7i s MET 140 CO 0.04 0.09 0.91 0.00 -0.01 0.00 0.00 175.02 176.05 2c7i s ALA 141 N 0.56 3.58 0.00 3.03 0.00 0.11 -1.05 121.76 127.99 2c7i s ALA 141 Ca -0.14 -2.76 0.00 0.00 0.00 0.00 0.00 51.96 49.06 2c7i s ALA 141 Cb -0.17 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.19 2c7i s ALA 141 CO 0.04 -2.61 0.00 0.41 0.00 0.00 0.00 175.76 173.60 2c7i n GLY 142 N 4.99 4.07 0.00 0.00 0.00 -1.26 -1.98 105.19 111.00 2c7i n GLY 142 Ca 0.12 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.35 2c7i n GLY 142 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c7i n GLU 143 N 14.00 0.13 -3.79 1.61 0.28 -1.26 -4.83 120.64 126.78 2c7i n GLU 143 Ca 0.00 0.02 -0.35 0.00 -0.16 0.00 0.00 57.16 56.66 2c7i n GLU 143 Cb 0.00 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 2c7i n GLU 143 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2c7i s LYS 144 N -2.86 4.10 0.03 3.44 -0.14 -0.84 -4.87 119.74 118.59 2c7i s LYS 144 Ca 0.18 -0.27 -0.30 0.00 -1.36 0.00 0.00 55.97 54.22 2c7i s LYS 144 Cb 0.19 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 2c7i s LYS 144 CO 0.49 0.24 1.25 0.21 -0.76 0.00 0.00 175.35 176.77 2c7i s LYS 145 N 0.52 4.38 0.00 1.68 2.20 0.50 0.05 119.74 129.08 2c7i s LYS 145 Ca 0.07 1.80 0.03 0.00 -0.36 0.00 0.00 55.97 57.51 2c7i s LYS 145 Cb -0.12 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2c7i s LYS 145 CO -0.00 -0.36 0.42 0.44 -0.36 0.00 0.00 175.35 175.48 2c7i n ILE 146 N 4.20 0.00 -3.64 5.43 -5.35 -0.56 -1.05 119.36 118.39 2c7i n ILE 146 Ca 0.10 -0.47 -0.10 0.00 -0.27 0.00 0.00 62.75 62.00 2c7i n ILE 146 Cb 0.46 1.04 -0.07 0.00 -1.74 0.00 0.00 39.64 39.33 2c7i n ILE 146 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 2c7i s MET 147 N -0.65 0.63 0.33 6.28 0.00 -1.16 -0.87 119.30 123.86 2c7i s MET 147 Ca 0.03 0.78 0.07 0.00 0.00 0.00 0.00 55.69 56.57 2c7i s MET 147 Cb 0.03 0.29 -0.06 0.00 0.00 0.00 0.00 34.83 35.08 2c7i s MET 147 CO 0.07 -0.08 -0.04 0.20 0.00 0.00 0.00 175.02 175.17 2c7i s GLY 148 N 0.42 2.09 0.08 2.11 0.00 -1.00 -1.02 107.32 109.99 2c7i s GLY 148 Ca 0.01 -2.05 -0.18 0.00 0.00 0.00 0.00 44.72 42.49 2c7i s GLY 148 CO -0.05 -1.94 0.43 0.00 0.00 0.00 0.00 173.10 171.54 2c7i s ALA 149 N -2.89 -1.04 0.26 3.20 0.00 -1.14 -1.56 121.76 118.58 2c7i s ALA 149 Ca 0.32 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.52 2c7i s ALA 149 Cb 0.05 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2c7i s ALA 149 CO 0.15 -0.54 0.23 0.00 0.00 0.00 0.00 175.76 175.60 2c7i s ALA 150 N -2.99 1.30 0.19 0.00 0.00 0.01 -4.87 121.76 115.40 2c7i s ALA 150 Ca -0.02 -1.77 -0.22 0.00 0.00 0.00 0.00 51.96 49.95 2c7i s ALA 150 Cb 0.00 1.38 0.05 0.00 0.00 0.00 0.00 23.12 24.56 2c7i s ALA 150 CO -0.06 -0.65 0.62 0.20 0.00 0.00 0.00 175.76 175.87 2c7i s GLY 151 N -3.23 -0.44 0.05 0.00 0.00 -1.26 -1.00 107.32 101.43 2c7i s GLY 151 Ca 0.38 0.23 -0.13 0.00 0.00 0.00 0.00 44.72 45.19 2c7i s GLY 151 CO 0.18 0.06 0.30 0.00 0.00 0.00 0.00 173.10 173.64 2c7i s ALA 152 N -3.80 -0.66 0.01 3.20 0.00 0.55 -4.46 121.76 116.60 2c7i s ALA 152 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2c7i s ALA 152 Cb -0.02 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 2c7i s ALA 152 CO -0.07 -0.42 -0.02 -1.64 0.00 0.00 0.00 175.76 173.60 2c7i s MET 153 N -2.63 0.21 0.30 0.00 -1.94 -1.26 -0.35 119.30 113.63 2c7i s MET 153 Ca -0.04 -0.34 -0.05 0.00 -1.71 0.00 0.00 55.69 53.54 2c7i s MET 153 Cb -0.01 -0.01 -0.01 0.00 2.01 0.00 0.00 34.83 36.81 2c7i s MET 153 CO -0.04 -0.01 0.43 -0.98 -0.01 0.00 0.00 175.02 174.41 2c7i s ARG 154 N -0.77 1.71 -0.12 2.03 1.70 -0.30 -5.02 118.95 118.18 2c7i s ARG 154 Ca -0.07 -1.60 -0.34 0.00 -0.47 0.00 0.00 55.73 53.24 2c7i s ARG 154 Cb -0.05 0.43 -0.12 0.00 -0.57 0.00 0.00 34.95 34.64 2c7i s ARG 154 CO -0.00 -0.69 1.90 0.36 -1.08 0.00 0.00 175.30 175.78 2c7i n LYS 155 N -0.47 2.05 0.00 3.89 2.85 -1.26 -2.07 118.16 123.15 2c7i n LYS 155 Ca 0.00 0.74 0.00 0.00 -1.05 0.00 0.00 58.31 58.01 2c7i n LYS 155 Cb 0.62 -2.62 0.00 0.00 -0.65 0.00 0.00 35.03 32.39 2c7i n LYS 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2c7i n GLY 156 N 4.54 3.24 3.18 2.58 0.00 -1.25 -4.95 105.19 112.53 2c7i n GLY 156 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 2c7i n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c7i s ALA 157 N -2.20 -0.44 0.01 4.61 0.00 -0.88 -1.26 121.76 121.60 2c7i s ALA 157 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2c7i s ALA 157 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 2c7i s ALA 157 CO 0.00 -0.31 -0.04 -1.59 0.00 0.00 0.00 175.76 173.81 2c7i s LYS 158 N -2.10 0.34 -0.10 0.00 -2.85 -0.34 -1.15 119.74 113.55 2c7i s LYS 158 Ca -0.09 -0.32 0.04 0.00 -1.00 0.00 0.00 55.97 54.61 2c7i s LYS 158 Cb -0.03 -0.24 -0.00 0.00 -2.06 0.00 0.00 37.83 35.50 2c7i s LYS 158 CO -0.01 0.06 -0.24 -1.17 0.10 0.00 0.00 175.35 174.09 2c7i s LEU 159 N -0.56 2.08 -0.03 2.77 2.96 0.53 -2.14 118.68 124.29 2c7i s LEU 159 Ca -0.03 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2c7i s LEU 159 Cb -0.04 -1.40 -0.00 0.00 0.50 0.00 0.00 46.19 45.25 2c7i s LEU 159 CO -0.00 0.16 -0.14 0.86 -1.32 0.00 0.00 176.35 175.91 2c7i s TRP 160 N 0.31 1.39 0.01 5.38 -0.00 -0.45 -0.33 118.94 125.24 2c7i s TRP 160 Ca -0.18 -0.35 -0.02 0.00 -0.00 0.00 0.00 56.10 55.55 2c7i s TRP 160 Cb -0.18 -0.94 -0.01 0.00 -0.00 0.00 0.00 33.47 32.35 2c7i s TRP 160 CO 0.09 -0.11 0.02 -3.38 -0.00 0.00 0.00 176.95 173.56 2c7i s HIS 161 N -0.01 0.15 0.08 5.86 -3.43 -0.17 0.05 115.29 117.82 2c7i s HIS 161 Ca -0.01 -0.32 0.02 0.00 -0.80 0.00 0.00 55.06 53.95 2c7i s HIS 161 Cb -0.09 -0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 30.90 2c7i s HIS 161 CO 0.01 -0.17 -0.08 0.00 -2.00 0.00 0.00 174.74 172.50 2c7i s ALA 162 N -1.13 0.87 -0.18 -1.38 0.00 0.30 -0.81 121.76 119.44 2c7i s ALA 162 Ca -0.12 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2c7i s ALA 162 Cb -0.07 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.19 2c7i s ALA 162 CO -0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 175.76 175.53 2c7i s ALA 163 N -2.72 1.81 -0.17 0.00 0.00 -0.60 -1.49 121.76 118.59 2c7i s ALA 163 Ca 0.04 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 2c7i s ALA 163 Cb -0.01 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 2c7i s ALA 163 CO -0.02 -0.74 0.23 1.41 0.00 0.00 0.00 175.76 176.63 2c7i s MET 164 N 1.49 4.18 -0.55 0.00 1.75 0.20 -2.38 119.30 123.99 2c7i s MET 164 Ca 0.00 -0.03 -0.28 0.00 -1.25 0.00 0.00 55.69 54.13 2c7i s MET 164 Cb -0.15 -3.41 0.03 0.00 2.84 0.00 0.00 34.83 34.14 2c7i s MET 164 CO -0.08 0.30 1.17 -0.51 -0.65 0.00 0.00 175.02 175.25 2c7i s LEU 165 N 0.31 3.51 -0.20 4.11 1.43 -0.05 -0.93 118.68 126.86 2c7i s LEU 165 Ca 0.13 0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.31 2c7i s LEU 165 Cb -0.12 -3.28 -0.08 0.00 0.03 0.00 0.00 46.19 42.73 2c7i s LEU 165 CO 0.02 -1.41 -0.31 0.52 0.23 0.00 0.00 176.35 175.39 2c7i n VAL 166 N 6.73 1.41 -2.68 -1.59 0.31 0.04 0.11 118.33 122.65 2c7i n VAL 166 Ca 0.10 -0.11 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 2c7i n VAL 166 Cb 0.49 -2.04 0.05 0.00 -0.91 0.00 0.00 33.84 31.43 2c7i n VAL 166 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c7i n HIS 167 N -4.22 0.54 -2.04 3.52 1.44 0.65 -2.60 115.22 112.51 2c7i n HIS 167 Ca -0.32 -2.59 -0.32 0.00 -2.01 0.00 0.00 57.72 52.48 2c7i n HIS 167 Cb 0.67 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.75 2c7i n HIS 167 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2c7i s THR 168 N -2.60 4.21 -0.72 0.61 2.01 -1.21 -4.42 115.64 113.51 2c7i s THR 168 Ca 0.26 0.94 -0.27 0.00 0.31 0.00 0.00 61.69 62.93 2c7i s THR 168 Cb 0.44 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 69.41 2c7i s THR 168 CO 0.01 -0.72 1.42 -0.62 -0.69 0.00 0.00 174.62 174.02 2c7i s ASP 169 N -3.27 5.96 0.45 3.53 -1.08 -1.26 -4.87 116.67 116.13 2c7i s ASP 169 Ca 0.60 -0.31 0.25 0.00 -0.52 0.00 0.00 52.55 52.57 2c7i s ASP 169 Cb -0.13 -2.55 0.87 0.00 -1.46 0.00 0.00 42.92 39.65 2c7i s ASP 169 CO 0.41 -1.96 1.80 -0.07 0.52 0.00 0.00 175.17 175.87 2c7i h LEU 170 N 13.84 0.00 -0.35 -1.34 3.38 -1.99 -2.14 115.31 126.70 2c7i h LEU 170 Ca -0.25 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.53 2c7i h LEU 170 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2c7i h LEU 170 CO 1.27 0.17 -0.67 0.44 0.09 0.00 0.00 178.44 179.74 2c7i h ASP 171 N 0.00 0.72 -0.14 -0.43 3.32 -1.97 -2.54 116.42 115.38 2c7i h ASP 171 Ca -0.00 -0.43 -0.17 0.00 0.02 0.00 0.00 57.03 56.45 2c7i h ASP 171 Cb 0.78 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 2c7i h ASP 171 CO 0.02 1.19 -0.52 -0.03 -1.72 0.00 0.00 179.24 178.19 2c7i h MET 172 N 0.45 0.72 -0.55 3.56 4.05 -1.93 -2.15 114.93 119.08 2c7i h MET 172 Ca -0.02 -0.44 0.08 0.00 -0.28 0.00 0.00 59.70 59.05 2c7i h MET 172 Cb 1.26 0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 32.03 2c7i h MET 172 CO 0.13 1.06 0.17 1.25 0.23 0.00 0.00 176.91 179.75 2c7i h LEU 173 N 0.56 0.14 -0.52 3.39 6.46 -1.35 -0.67 115.31 123.32 2c7i h LEU 173 Ca 0.02 0.08 -0.15 0.00 -0.12 0.00 0.00 57.88 57.71 2c7i h LEU 173 Cb 1.09 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 2c7i h LEU 173 CO 0.11 0.10 -0.40 0.28 -0.62 0.00 0.00 178.44 177.90 2c7i h SER 174 N 0.34 0.81 -0.26 1.25 0.02 -1.39 -3.15 113.55 111.16 2c7i h SER 174 Ca 0.27 -0.37 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 2c7i h SER 174 Cb 0.34 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2c7i h SER 174 CO -0.30 1.11 -0.24 0.00 -1.14 0.00 0.00 176.83 176.26 2c7i h ALA 175 N 0.92 0.88 -0.10 3.77 0.00 -0.79 -3.20 119.26 120.73 2c7i h ALA 175 Ca 0.05 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 2c7i h ALA 175 Cb 0.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2c7i h ALA 175 CO 0.09 0.63 -0.61 0.28 0.00 0.00 0.00 179.25 179.64 2c7i h VAL 176 N 0.65 1.36 -3.35 0.00 2.07 -1.16 -3.43 116.25 112.39 2c7i h VAL 176 Ca 0.09 -1.94 -0.69 0.00 0.82 0.00 0.00 66.70 64.97 2c7i h VAL 176 Cb 0.75 1.95 -0.18 0.00 -1.52 0.00 0.00 31.29 32.28 2c7i h VAL 176 CO 0.06 0.58 -0.05 -0.76 0.02 0.00 0.00 177.57 177.42 2c7i s LEU 177 N -8.06 4.98 -1.12 2.57 1.43 -1.19 -2.18 118.68 115.11 2c7i s LEU 177 Ca -0.05 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 2c7i s LEU 177 Cb 0.12 -2.43 0.28 0.00 0.03 0.00 0.00 46.19 44.19 2c7i s LEU 177 CO 0.82 -0.78 1.46 0.29 0.23 0.00 0.00 176.35 178.37 2c7i n LYS 178 N 5.93 4.16 0.00 1.70 4.01 -0.43 -4.93 118.16 128.60 2c7i n LYS 178 Ca -0.07 -4.39 0.00 0.00 -0.51 0.00 0.00 58.31 53.34 2c7i n LYS 178 Cb 0.46 -2.59 0.00 0.00 -0.51 0.00 0.00 35.03 32.39 2c7i n LYS 178 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2c7i n ARG 193 N 2.04 0.00 0.13 1.97 3.00 -1.26 -4.81 116.66 117.73 2c7i n ARG 193 Ca 0.28 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.25 2c7i n ARG 193 Cb 0.35 0.00 0.49 0.00 0.00 0.00 0.00 32.46 33.30 2c7i n ARG 193 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2c7i n GLU 194 N 0.00 0.21 -0.07 -0.14 1.02 -1.26 -3.57 120.64 116.83 2c7i n GLU 194 Ca 0.00 0.40 0.05 0.00 -0.02 0.00 0.00 57.16 57.59 2c7i n GLU 194 Cb 0.00 -1.88 0.08 0.00 -0.02 0.00 0.00 31.44 29.63 2c7i n GLU 194 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2c7i n ARG 195 N -2.27 1.48 -4.18 3.49 5.12 -1.26 -4.97 116.66 114.06 2c7i n ARG 195 Ca 0.02 -1.50 -0.27 0.00 -1.93 0.00 0.00 57.85 54.18 2c7i n ARG 195 Cb 0.26 -1.22 -0.08 0.00 -1.16 0.00 0.00 32.46 30.26 2c7i n ARG 195 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2c7i s VAL 196 N -0.92 3.82 0.22 1.55 -7.23 -1.23 -0.37 120.40 116.24 2c7i s VAL 196 Ca 0.16 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 58.89 2c7i s VAL 196 Cb 0.10 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 2c7i s VAL 196 CO 0.14 -0.07 0.39 0.00 -0.31 0.00 0.00 175.10 175.24 2c7i s ALA 197 N -1.66 -0.03 0.05 1.32 0.00 -0.22 -4.82 121.76 116.40 2c7i s ALA 197 Ca 0.27 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 2c7i s ALA 197 Cb -0.10 1.05 -0.05 0.00 0.00 0.00 0.00 23.12 24.03 2c7i s ALA 197 CO 0.19 -0.77 0.28 -0.80 0.00 0.00 0.00 175.76 174.66 2c7i s ASN 198 N -3.02 6.46 0.29 0.00 0.02 -1.26 -4.35 114.94 113.09 2c7i s ASN 198 Ca 0.23 0.50 0.05 0.00 -1.02 0.00 0.00 52.86 52.62 2c7i s ASN 198 Cb 0.01 -2.06 0.73 0.00 0.02 0.00 0.00 41.25 39.95 2c7i s ASN 198 CO 0.07 0.19 1.74 0.58 0.02 0.00 0.00 177.10 179.70 2c7i h VAL 199 N 2.61 0.61 0.00 1.60 2.07 -0.36 -0.17 116.25 122.61 2c7i h VAL 199 Ca -0.48 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2c7i h VAL 199 Cb 1.18 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2c7i h VAL 199 CO 0.70 0.11 0.00 0.35 0.02 0.00 0.00 177.57 178.74 2c7i n THR 200 N -4.89 0.92 0.30 2.57 -2.24 -1.07 -1.00 114.28 108.87 2c7i n THR 200 Ca 0.23 0.25 0.15 0.00 -2.27 0.00 0.00 64.05 62.41 2c7i n THR 200 Cb 0.61 -1.11 0.71 0.00 -2.10 0.00 0.00 70.33 68.44 2c7i n THR 200 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2c7i h ASP 201 N 0.00 0.00 0.00 3.42 3.32 -1.29 -3.35 116.42 118.52 2c7i h ASP 201 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2c7i h ASP 201 Cb 0.30 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2c7i h ASP 201 CO 0.00 0.00 -1.46 0.49 -1.72 0.00 0.00 179.24 176.55 2c7i n PHE 202 N -2.65 0.00 -4.15 4.55 3.72 -0.17 -5.04 117.46 113.72 2c7i n PHE 202 Ca -0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 2c7i n PHE 202 Cb 0.18 -0.31 -0.11 0.00 -0.94 0.00 0.00 39.48 38.30 2c7i n PHE 202 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2c7i s VAL 203 N -2.16 0.88 -1.04 -4.37 -7.23 -0.77 -5.07 120.40 100.64 2c7i s VAL 203 Ca -0.12 -1.45 -0.16 0.00 -1.81 0.00 0.00 61.98 58.44 2c7i s VAL 203 Cb 0.05 -1.13 0.15 0.00 0.56 0.00 0.00 36.38 36.01 2c7i s VAL 203 CO 0.15 -0.45 1.24 -0.62 -0.31 0.00 0.00 175.10 175.10 2c7i s ASP 204 N -2.11 6.83 0.17 4.85 2.15 -1.26 -3.89 116.67 123.41 2c7i s ASP 204 Ca 0.00 -2.49 0.06 0.00 0.43 0.00 0.00 52.55 50.55 2c7i s ASP 204 Cb -0.06 -2.39 -0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2c7i s ASP 204 CO 0.00 -0.90 -0.12 0.68 -0.17 0.00 0.00 175.17 174.67 2c7i s VAL 205 N 2.05 1.42 0.38 1.11 -7.23 -1.26 -5.13 120.40 111.73 2c7i s VAL 205 Ca 0.36 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 2c7i s VAL 205 Cb -0.04 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 2c7i s VAL 205 CO -0.06 -0.68 0.56 -0.94 -0.31 0.00 0.00 175.10 173.67 2c7i s SER 206 N -3.22 5.99 0.38 4.85 1.04 -1.26 -4.88 113.70 116.59 2c7i s SER 206 Ca 0.19 0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.83 2c7i s SER 206 Cb 0.01 -1.53 0.82 0.00 0.10 0.00 0.00 66.02 65.42 2c7i s SER 206 CO 0.03 -0.49 1.95 0.40 0.98 0.00 0.00 173.24 176.11 2c7i h ILE 207 N 0.69 0.97 -0.12 -1.02 2.04 -1.98 -1.46 117.51 116.63 2c7i h ILE 207 Ca -0.47 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 2c7i h ILE 207 Cb 1.25 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2c7i h ILE 207 CO 0.57 0.12 -0.38 0.44 0.00 0.00 0.00 178.15 178.90 2c7i h ASP 208 N 0.67 0.25 0.10 1.72 3.32 -1.99 -0.11 116.42 120.38 2c7i h ASP 208 Ca 0.32 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 2c7i h ASP 208 Cb 0.38 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2c7i h ASP 208 CO -0.11 0.62 -0.55 -0.33 -1.72 0.00 0.00 179.24 177.15 2c7i h GLU 209 N 0.21 0.48 0.03 3.56 5.08 -1.71 -1.73 114.58 120.50 2c7i h GLU 209 Ca 0.02 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2c7i h GLU 209 Cb 0.77 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2c7i h GLU 209 CO 0.06 0.90 -0.01 0.28 -1.00 0.00 0.00 179.01 179.24 2c7i h VAL 210 N 0.37 1.23 -0.61 3.13 2.07 -1.02 -1.64 116.25 119.78 2c7i h VAL 210 Ca 0.01 -0.82 0.13 0.00 0.82 0.00 0.00 66.70 66.84 2c7i h VAL 210 Cb 1.07 1.78 -0.11 0.00 -1.52 0.00 0.00 31.29 32.51 2c7i h VAL 210 CO 0.10 0.21 -0.07 -0.09 0.02 0.00 0.00 177.57 177.74 2c7i h ARG 211 N -0.39 0.06 -0.61 1.57 2.43 -1.03 -0.76 114.38 115.64 2c7i h ARG 211 Ca -0.00 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2c7i h ARG 211 Cb 0.37 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2c7i h ARG 211 CO 0.01 0.04 0.07 -0.91 -1.51 0.00 0.00 179.97 177.66 2c7i h ASN 212 N 0.06 0.99 -0.36 -3.80 2.35 -1.25 0.11 115.58 113.67 2c7i h ASN 212 Ca 0.31 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2c7i h ASN 212 Cb 0.50 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2c7i h ASN 212 CO -0.57 1.00 0.21 0.00 -1.65 0.00 0.00 177.43 176.42 2c7i h ALA 213 N 1.11 0.46 -0.42 -0.83 0.00 -0.98 -2.14 119.26 116.46 2c7i h ALA 213 Ca 0.18 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2c7i h ALA 213 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2c7i h ALA 213 CO 0.02 -0.02 -0.07 -0.07 0.00 0.00 0.00 179.25 179.10 2c7i h LEU 214 N 0.47 0.70 -0.38 0.00 3.38 -0.77 0.22 115.31 118.93 2c7i h LEU 214 Ca 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2c7i h LEU 214 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2c7i h LEU 214 CO -0.02 0.81 0.23 0.40 0.09 0.00 0.00 178.44 179.95 2c7i h ILE 215 N 0.66 1.13 -0.06 1.22 2.04 -0.61 -0.98 117.51 120.91 2c7i h ILE 215 Ca 0.12 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2c7i h ILE 215 Cb 0.51 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2c7i h ILE 215 CO 0.03 0.13 0.02 -0.09 0.00 0.00 0.00 178.15 178.23 2c7i h ARG 216 N 0.50 0.09 -0.73 2.37 2.43 -1.19 -0.09 114.38 117.76 2c7i h ARG 216 Ca 0.14 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2c7i h ARG 216 Cb 0.00 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2c7i h ARG 216 CO -0.03 0.28 0.45 0.78 -1.51 0.00 0.00 179.97 179.94 2c7i h GLY 217 N -0.12 1.05 1.05 2.80 0.00 -0.52 0.09 103.07 107.42 2c7i h GLY 217 Ca 0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 2c7i h GLY 217 CO -0.00 0.42 -0.26 0.74 0.00 0.00 0.00 176.54 177.44 2c7i h PHE 218 N 0.99 1.01 0.33 5.60 -1.00 -1.18 -0.53 116.94 122.18 2c7i h PHE 218 Ca 0.26 -0.27 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 2c7i h PHE 218 Cb -0.04 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.27 2c7i h PHE 218 CO -0.01 1.06 -0.35 0.77 -1.61 0.00 0.00 178.31 178.17 2c7i h SER 219 N 0.67 -0.95 -0.73 2.17 0.02 -0.78 0.04 113.55 113.99 2c7i h SER 219 Ca 0.08 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 2c7i h SER 219 Cb 0.83 0.32 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 2c7i h SER 219 CO 0.07 -0.49 0.29 -0.33 -1.14 0.00 0.00 176.83 175.24 2c7i h GLU 220 N -0.71 1.09 -0.04 3.45 5.08 -1.00 -0.75 114.58 121.70 2c7i h GLU 220 Ca -0.02 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 2c7i h GLU 220 Cb 0.65 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.73 2c7i h GLU 220 CO -0.07 0.90 -0.52 1.15 -1.00 0.00 0.00 179.01 179.46 2c7i h THR 221 N 1.05 1.41 -0.00 1.13 2.02 -1.02 -3.26 112.91 114.23 2c7i h THR 221 Ca 0.24 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.47 2c7i h THR 221 Cb 0.21 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 2c7i h THR 221 CO -0.02 0.57 -0.25 0.18 0.37 0.00 0.00 175.52 176.37 2c7i n LEU 222 N -4.26 0.59 -3.46 2.58 4.77 -0.01 -4.97 117.00 112.25 2c7i n LEU 222 Ca -0.09 -0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 55.66 2c7i n LEU 222 Cb 0.62 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2c7i n LEU 222 CO 0.46 0.12 -0.01 1.41 -1.33 0.00 0.00 177.39 178.04 2c7i n HIS 223 N -1.08 -2.20 -4.30 -1.77 8.25 -0.36 -5.03 115.22 108.74 2c7i n HIS 223 Ca 0.10 0.75 -0.20 0.00 -0.26 0.00 0.00 57.72 58.11 2c7i n HIS 223 Cb 0.32 -4.07 -0.16 0.00 1.12 0.00 0.00 29.99 27.20 2c7i n HIS 223 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2c7i s ILE 224 N -3.45 0.68 -0.85 1.59 1.01 -0.74 -4.28 121.20 115.16 2c7i s ILE 224 Ca 0.35 -0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 2c7i s ILE 224 Cb -0.08 -0.65 0.10 0.00 0.01 0.00 0.00 42.46 41.85 2c7i s ILE 224 CO 0.78 0.24 1.11 -1.81 0.00 0.00 0.00 174.94 175.26 2c7i s ASP 225 N 0.53 6.47 -0.04 3.58 1.01 0.15 -4.39 116.67 124.00 2c7i s ASP 225 Ca -0.08 -1.65 -0.30 0.00 0.71 0.00 0.00 52.55 51.23 2c7i s ASP 225 Cb -0.12 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2c7i s ASP 225 CO 0.01 -1.23 1.16 -0.36 0.21 0.00 0.00 175.17 174.95 2c7i s PHE 226 N 3.35 3.32 0.00 4.23 0.08 -1.26 -0.74 117.98 126.97 2c7i s PHE 226 Ca 0.31 1.32 0.08 0.00 0.12 0.00 0.00 56.93 58.76 2c7i s PHE 226 Cb -0.08 -3.36 -0.02 0.00 -0.57 0.00 0.00 43.02 38.98 2c7i s PHE 226 CO -0.03 -1.05 -0.24 1.03 -0.10 0.00 0.00 175.22 174.82 2c7i s ARG 227 N 1.87 1.86 0.26 0.44 0.52 -0.14 -4.81 118.95 118.95 2c7i s ARG 227 Ca 0.55 -0.93 -0.31 0.00 -0.52 0.00 0.00 55.73 54.52 2c7i s ARG 227 Cb -0.24 -1.87 -0.12 0.00 0.52 0.00 0.00 34.95 33.23 2c7i s ARG 227 CO 0.23 0.50 1.62 -1.91 0.02 0.00 0.00 175.30 175.76 2c7i n GLU 228 N 2.24 2.65 -4.12 3.54 2.13 -1.26 -0.14 120.64 125.68 2c7i n GLU 228 Ca -0.16 0.95 -0.12 0.00 0.66 0.00 0.00 57.16 58.49 2c7i n GLU 228 Cb 0.52 -2.74 -0.07 0.00 0.27 0.00 0.00 31.44 29.42 2c7i n GLU 228 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2c7i s ASP 229 N 0.67 0.30 0.38 4.31 2.15 -0.40 -4.78 116.67 119.31 2c7i s ASP 229 Ca 0.68 -1.28 0.08 0.00 0.43 0.00 0.00 52.55 52.46 2c7i s ASP 229 Cb -0.52 0.51 -0.07 0.00 -0.30 0.00 0.00 42.92 42.54 2c7i s ASP 229 CO 0.44 -1.03 -0.03 0.42 -0.17 0.00 0.00 175.17 174.80 2c7i s THR 230 N -3.89 2.07 0.68 1.71 -4.23 -1.26 -4.35 115.64 106.37 2c7i s THR 230 Ca 0.32 -2.09 -0.13 0.00 -1.18 0.00 0.00 61.69 58.61 2c7i s THR 230 Cb 0.03 -2.84 0.01 0.00 1.34 0.00 0.00 72.50 71.04 2c7i s THR 230 CO 0.13 -0.09 1.09 0.27 -0.54 0.00 0.00 174.62 175.49 2c7i s ILE 231 N -2.69 3.47 0.70 2.99 -4.36 -1.26 -5.05 121.20 115.01 2c7i s ILE 231 Ca 0.34 0.60 -0.06 0.00 -0.26 0.00 0.00 60.65 61.27 2c7i s ILE 231 Cb 0.07 -3.14 0.06 0.00 1.25 0.00 0.00 42.46 40.70 2c7i s ILE 231 CO 0.17 -0.51 1.01 0.42 0.24 0.00 0.00 174.94 176.28 2c7i s THR 232 N -2.61 2.28 0.31 8.37 -4.23 -1.26 -4.86 115.64 113.64 2c7i s THR 232 Ca 0.64 -0.29 0.05 0.00 -1.18 0.00 0.00 61.69 60.90 2c7i s THR 232 Cb -0.18 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.76 2c7i s THR 232 CO 0.46 0.00 1.77 -0.33 -0.54 0.00 0.00 174.62 175.98 2c7i h GLU 233 N -0.59 0.38 -0.39 3.99 5.08 -1.98 0.81 114.58 121.88 2c7i h GLU 233 Ca -0.44 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 57.74 2c7i h GLU 233 Cb 1.31 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2c7i h GLU 233 CO 0.59 0.60 0.05 0.87 -1.00 0.00 0.00 179.01 180.12 2c7i h LYS 234 N 0.34 0.65 -0.17 2.33 1.57 -1.98 1.00 116.57 120.31 2c7i h LYS 234 Ca 0.05 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2c7i h LYS 234 Cb 0.62 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2c7i h LYS 234 CO 0.04 0.71 0.02 0.93 -0.57 0.00 0.00 179.45 180.59 2c7i h GLU 235 N 0.49 0.28 0.07 3.15 5.08 -1.85 -1.86 114.58 119.95 2c7i h GLU 235 Ca 0.12 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2c7i h GLU 235 Cb 0.39 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2c7i h GLU 235 CO 0.01 0.47 -0.49 1.49 -1.00 0.00 0.00 179.01 179.49 2c7i h GLU 236 N 0.06 -0.66 -0.89 2.33 4.57 -0.82 -0.53 114.58 118.64 2c7i h GLU 236 Ca 0.05 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2c7i h GLU 236 Cb 0.33 0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.02 2c7i h GLU 236 CO 0.00 -0.44 0.58 0.66 -1.18 0.00 0.00 179.01 178.63 2c7i h SER 237 N -0.68 0.97 -0.39 1.04 4.64 -0.77 0.16 113.55 118.51 2c7i h SER 237 Ca 0.02 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c7i h SER 237 Cb 0.72 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2c7i h SER 237 CO -0.31 0.67 0.23 0.25 -0.87 0.00 0.00 176.83 176.81 2c7i h LEU 238 N 1.13 0.48 -0.28 5.97 5.85 -1.24 -1.00 115.31 126.23 2c7i h LEU 238 Ca 0.35 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.05 2c7i h LEU 238 Cb -0.03 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2c7i h LEU 238 CO -0.11 0.41 -0.04 0.00 -0.34 0.00 0.00 178.44 178.36 2c7i h ALA 239 N 1.09 0.21 -0.77 1.25 0.00 0.64 0.99 119.26 122.67 2c7i h ALA 239 Ca 0.14 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2c7i h ALA 239 Cb 0.02 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2c7i h ALA 239 CO -0.02 -0.45 0.45 0.00 0.00 0.00 0.00 179.25 179.23 2c7i h ARG 240 N 0.03 1.06 -0.61 0.00 3.08 -0.67 -0.50 114.38 116.77 2c7i h ARG 240 Ca 0.14 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2c7i h ARG 240 Cb 0.20 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 2c7i h ARG 240 CO -0.27 0.77 0.24 1.49 -1.07 0.00 0.00 179.97 181.12 2c7i h GLU 241 N 1.06 0.91 -0.61 0.04 4.81 -0.56 0.14 114.58 120.39 2c7i h GLU 241 Ca 0.28 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2c7i h GLU 241 Cb -0.01 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2c7i h GLU 241 CO -0.05 0.78 0.17 -0.07 -0.73 0.00 0.00 179.01 179.11 2c7i h LEU 242 N 0.85 0.91 0.29 1.64 3.38 -0.54 -0.19 115.31 121.66 2c7i h LEU 242 Ca 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2c7i h LEU 242 Cb 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2c7i h LEU 242 CO -0.02 0.90 -0.14 0.15 0.09 0.00 0.00 178.44 179.42 2c7i h PHE 243 N 0.88 -0.37 -0.29 1.13 3.57 -0.92 0.21 116.94 121.15 2c7i h PHE 243 Ca 0.19 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2c7i h PHE 243 Cb 0.33 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2c7i h PHE 243 CO 0.02 -0.16 0.14 -0.44 -2.23 0.00 0.00 178.31 175.64 2c7i h ASP 244 N -0.49 0.19 0.95 0.41 3.32 -0.54 -0.43 116.42 119.83 2c7i h ASP 244 Ca -0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2c7i h ASP 244 Cb 0.37 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2c7i h ASP 244 CO 0.07 0.15 -0.95 0.29 -1.72 0.00 0.00 179.24 177.07 2c7i n LYS 245 N -4.98 0.55 0.02 3.56 4.01 -0.10 -4.72 118.16 116.51 2c7i n LYS 245 Ca -0.01 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 2c7i n LYS 245 Cb 0.07 -1.80 0.00 0.00 -0.51 0.00 0.00 35.03 32.80 2c7i n LYS 245 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2c7i n LYS 246 N -2.56 0.00 0.23 1.97 4.81 0.51 -4.84 118.16 118.28 2c7i n LYS 246 Ca 0.01 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.52 2c7i n LYS 246 Cb 0.53 -0.05 0.56 0.00 0.02 0.00 0.00 35.03 36.09 2c7i n LYS 246 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2c7i h TYR 247 N 0.00 0.00 -0.00 5.64 0.05 -0.92 -0.60 116.97 121.15 2c7i h TYR 247 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2c7i h TYR 247 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2c7i h TYR 247 CO 0.00 0.19 -0.01 -1.13 -1.05 0.00 0.00 178.16 176.17 2c7i n SER 248 N -4.04 0.02 -4.94 3.88 3.41 -0.17 -4.83 113.62 106.95 2c7i n SER 248 Ca -0.02 -0.19 -0.24 0.00 -0.26 0.00 0.00 58.87 58.16 2c7i n SER 248 Cb 0.27 -0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2c7i n SER 248 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2c7i s THR 249 N -2.55 5.11 0.08 6.66 -4.23 -0.23 -5.01 115.64 115.47 2c7i s THR 249 Ca 0.29 -0.45 0.02 0.00 -1.18 0.00 0.00 61.69 60.37 2c7i s THR 249 Cb 0.20 -3.85 -0.25 0.00 1.34 0.00 0.00 72.50 69.95 2c7i s THR 249 CO 0.46 -0.52 1.14 -0.33 -0.54 0.00 0.00 174.62 174.83 2c7i h GLU 250 N 0.87 0.14 -0.49 3.99 4.39 -1.91 -2.71 114.58 118.86 2c7i h GLU 250 Ca -0.50 -0.23 0.07 0.00 0.34 0.00 0.00 59.36 59.05 2c7i h GLU 250 Cb 1.22 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.89 2c7i h GLU 250 CO 0.62 1.07 0.14 0.93 -1.16 0.00 0.00 179.01 180.61 2c7i h GLU 251 N 0.04 0.29 0.17 2.33 3.07 -1.92 0.15 114.58 118.71 2c7i h GLU 251 Ca -0.10 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 2c7i h GLU 251 Cb 1.89 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.74 2c7i h GLU 251 CO 0.16 0.19 -0.08 2.35 -1.40 0.00 0.00 179.01 180.23 2c7i h TRP 252 N 0.30 -0.22 -0.03 4.33 2.91 -1.78 -0.56 115.95 120.90 2c7i h TRP 252 Ca 0.24 -0.01 -0.24 0.00 1.13 0.00 0.00 58.89 60.02 2c7i h TRP 252 Cb 0.28 0.07 0.01 0.00 -0.51 0.00 0.00 29.16 29.01 2c7i h TRP 252 CO -0.19 0.09 -0.93 -0.91 -1.03 0.00 0.00 178.44 175.47 2c7i h ASN 253 N -0.53 0.73 0.00 2.65 4.21 -1.32 -3.27 115.58 118.05 2c7i h ASN 253 Ca -0.02 -0.55 0.00 0.00 1.21 0.00 0.00 56.30 56.93 2c7i h ASN 253 Cb 0.41 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2c7i h ASN 253 CO 0.04 1.35 -1.14 0.23 -1.29 0.00 0.00 177.43 176.62 2c7i n MET 254 N -3.82 0.84 -1.44 0.81 2.81 0.51 -4.55 117.12 112.28 2c7i n MET 254 Ca -0.08 -0.05 -0.01 0.00 -1.81 0.00 0.00 57.70 55.76 2c7i n MET 254 Cb 0.82 -1.39 -0.00 0.00 -0.71 0.00 0.00 33.22 31.94 2c7i n MET 254 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c7i n GLY 255 N 1.43 0.39 3.77 3.03 0.00 -0.25 -4.75 105.19 108.81 2c7i n GLY 255 Ca 0.02 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 2c7i n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c7i s LEU 256 N -0.17 4.44 -0.07 0.99 1.02 -1.03 -4.99 118.68 118.87 2c7i s LEU 256 Ca 0.00 2.08 -0.05 0.00 0.02 0.00 0.00 54.13 56.18 2c7i s LEU 256 Cb 0.00 -3.82 -0.02 0.00 0.02 0.00 0.00 46.19 42.38 2c7i s LEU 256 CO 0.00 -0.15 -0.10 0.18 0.02 0.00 0.00 176.35 176.30 2c7i n LEU 257 N 0.86 0.95 0.00 1.79 4.77 -1.26 -4.29 117.00 119.81 2c7i n LEU 257 Ca 0.01 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2c7i n LEU 257 Cb 0.47 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2c7i n LEU 257 CO 0.50 -0.48 0.00 -2.11 -1.33 0.00 0.00 177.39 173.97