#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 4.58 0.38 2.12 2.12 -1.26 -0.91 118.70 125.73 2c7i s GLU 2 Ca 0.00 1.19 0.04 0.00 0.36 0.00 0.00 54.97 56.55 2c7i s GLU 2 Cb 0.00 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 2c7i s GLU 2 CO 0.00 0.52 0.08 0.20 -0.54 0.00 0.00 175.26 175.52 2c7i s GLY 3 N -1.25 2.40 -0.14 -1.50 0.00 0.02 -4.17 107.32 102.69 2c7i s GLY 3 Ca 0.38 -1.56 -0.04 0.00 0.00 0.00 0.00 44.72 43.51 2c7i s GLY 3 CO 0.26 -1.87 -0.00 0.50 0.00 0.00 0.00 173.10 171.99 2c7i s ARG 4 N -3.81 3.53 -0.33 2.90 0.52 0.66 -1.36 118.95 121.06 2c7i s ARG 4 Ca 0.28 -0.44 -0.08 0.00 -0.52 0.00 0.00 55.73 54.97 2c7i s ARG 4 Cb 0.06 -2.95 0.03 0.00 0.52 0.00 0.00 34.95 32.61 2c7i s ARG 4 CO 0.14 0.39 0.12 -1.17 0.02 0.00 0.00 175.30 174.81 2c7i s LEU 5 N -0.03 4.27 -0.35 2.53 2.96 -1.14 -0.83 118.68 126.10 2c7i s LEU 5 Ca 0.03 -0.96 -0.09 0.00 -0.22 0.00 0.00 54.13 52.88 2c7i s LEU 5 Cb -0.13 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.67 2c7i s LEU 5 CO 0.02 -0.30 0.16 -0.76 -1.32 0.00 0.00 176.35 174.15 2c7i s LEU 6 N 1.47 4.46 -1.05 -0.68 1.43 0.12 -0.82 118.68 123.61 2c7i s LEU 6 Ca 0.01 -0.94 -0.13 0.00 -1.03 0.00 0.00 54.13 52.03 2c7i s LEU 6 Cb -0.19 -1.97 0.21 0.00 0.03 0.00 0.00 46.19 44.27 2c7i s LEU 6 CO 0.04 -0.33 1.14 -0.76 0.23 0.00 0.00 176.35 176.67 2c7i s LEU 7 N 1.52 5.80 -0.23 1.79 1.43 -1.26 -1.13 118.68 126.59 2c7i s LEU 7 Ca 0.01 -2.94 -0.03 0.00 -1.03 0.00 0.00 54.13 50.15 2c7i s LEU 7 Cb -0.19 -2.30 0.07 0.00 0.03 0.00 0.00 46.19 43.80 2c7i s LEU 7 CO 0.05 -0.63 0.07 -0.22 0.23 0.00 0.00 176.35 175.85 2c7i s LEU 8 N 0.62 1.32 0.03 1.79 2.96 -1.07 -4.99 118.68 119.35 2c7i s LEU 8 Ca 0.32 -1.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.18 2c7i s LEU 8 Cb -0.07 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 2c7i s LEU 8 CO -0.06 -0.35 -0.07 -1.83 -1.32 0.00 0.00 176.35 172.72 2c7i s GLU 9 N 1.84 0.49 -0.59 1.98 -1.05 -1.26 -4.54 118.70 115.57 2c7i s GLU 9 Ca 0.03 -0.64 0.05 0.00 -0.15 0.00 0.00 54.97 54.26 2c7i s GLU 9 Cb -0.17 -0.28 0.20 0.00 -0.44 0.00 0.00 34.13 33.44 2c7i s GLU 9 CO -0.16 0.05 0.52 0.25 0.95 0.00 0.00 175.26 176.88 2c7i n THR 10 N 1.75 0.91 0.24 1.83 -2.24 -1.26 -4.99 114.28 110.51 2c7i n THR 10 Ca -0.21 -4.53 0.07 0.00 -2.27 0.00 0.00 64.05 57.11 2c7i n THR 10 Cb 0.55 -2.02 0.61 0.00 -2.10 0.00 0.00 70.33 67.37 2c7i n THR 10 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2c7i h PRO 11 N 5.00 0.03 0.00 -0.78 0.11 -1.97 0.13 132.00 134.51 2c7i h PRO 11 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2c7i h PRO 11 Cb 0.78 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2c7i h PRO 11 CO 0.64 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.88 2c7i n GLY 12 N -1.47 -0.88 2.69 -0.55 0.00 -1.26 -1.77 105.19 101.95 2c7i n GLY 12 Ca -0.03 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.85 0.66 0.39 1.61 3.84 0.44 -5.00 114.94 115.03 2c7i s ASN 13 Ca 0.35 -1.95 0.06 0.00 0.21 0.00 0.00 52.86 51.53 2c7i s ASN 13 Cb 0.16 0.61 0.79 0.00 -0.55 0.00 0.00 41.25 42.26 2c7i s ASN 13 CO 0.27 -0.20 2.02 0.74 -2.79 0.00 0.00 177.10 177.14 2c7i h THR 14 N 4.92 1.08 -0.38 -5.21 2.02 -1.74 -1.86 112.91 111.75 2c7i h THR 14 Ca 0.11 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.95 2c7i h THR 14 Cb 1.03 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2c7i h THR 14 CO 0.20 0.12 -0.20 0.03 0.37 0.00 0.00 175.52 176.04 2c7i h ARG 15 N 0.66 0.73 -0.22 6.66 3.08 -1.91 0.09 114.38 123.48 2c7i h ARG 15 Ca 0.22 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 2c7i h ARG 15 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2c7i h ARG 15 CO -0.06 0.87 -0.40 1.98 -1.07 0.00 0.00 179.97 181.30 2c7i h MET 16 N 0.64 0.50 -0.86 0.04 4.05 -1.80 -1.56 114.93 115.94 2c7i h MET 16 Ca 0.10 -0.25 -0.02 0.00 -0.28 0.00 0.00 59.70 59.24 2c7i h MET 16 Cb 0.68 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.45 2c7i h MET 16 CO 0.05 0.82 0.45 1.03 0.23 0.00 0.00 176.91 179.48 2c7i h SER 17 N 0.42 1.10 -0.20 1.39 0.87 -0.36 -1.53 113.55 115.24 2c7i h SER 17 Ca 0.04 -0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.32 2c7i h SER 17 Cb 0.88 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2c7i h SER 17 CO 0.07 0.90 -0.46 -0.07 -0.53 0.00 0.00 176.83 176.75 2c7i h LEU 18 N 1.21 0.83 -1.41 2.23 3.38 -0.92 -2.74 115.31 117.89 2c7i h LEU 18 Ca 0.30 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2c7i h LEU 18 Cb 0.07 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 2c7i h LEU 18 CO -0.04 1.15 0.48 0.00 0.09 0.00 0.00 178.44 180.12 2c7i h ALA 19 N 0.87 1.78 -0.26 1.53 0.00 -0.80 -2.11 119.26 120.27 2c7i h ALA 19 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2c7i h ALA 19 Cb 1.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2c7i h ALA 19 CO 0.10 0.08 0.07 1.88 0.00 0.00 0.00 179.25 181.38 2c7i h TYR 20 N 0.68 0.43 -0.34 0.00 0.05 -0.99 -0.11 116.97 116.69 2c7i h TYR 20 Ca 0.33 -0.05 0.05 0.00 0.05 0.00 0.00 58.73 59.11 2c7i h TYR 20 Cb 0.39 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 2c7i h TYR 20 CO -0.00 0.48 0.08 -0.44 -1.05 0.00 0.00 178.16 177.23 2c7i h ASP 21 N 0.25 0.03 -0.34 3.88 3.32 -1.33 0.30 116.42 122.53 2c7i h ASP 21 Ca 0.08 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 2c7i h ASP 21 Cb 0.26 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2c7i h ASP 21 CO -0.00 0.05 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.34 2c7i h GLU 22 N 0.20 0.80 -0.34 3.56 4.81 -1.19 -2.08 114.58 120.34 2c7i h GLU 22 Ca 0.16 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 2c7i h GLU 22 Cb 0.17 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2c7i h GLU 22 CO -0.20 0.91 0.01 0.00 -0.73 0.00 0.00 179.01 179.00 2c7i h ALA 23 N 1.11 0.46 -0.77 2.92 0.00 -0.69 0.19 119.26 122.48 2c7i h ALA 23 Ca 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2c7i h ALA 23 Cb 0.66 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2c7i h ALA 23 CO 0.05 0.21 0.40 0.82 0.00 0.00 0.00 179.25 180.72 2c7i h ILE 24 N 0.41 1.24 -0.22 0.00 2.04 -0.93 -1.81 117.51 118.23 2c7i h ILE 24 Ca 0.10 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2c7i h ILE 24 Cb 0.43 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2c7i h ILE 24 CO 0.01 0.27 0.09 0.22 0.00 0.00 0.00 178.15 178.74 2c7i h TYR 25 N 1.07 0.34 0.00 1.37 3.20 -1.13 -3.05 116.97 118.78 2c7i h TYR 25 Ca 0.27 -0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.93 2c7i h TYR 25 Cb 0.07 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2c7i h TYR 25 CO 0.00 0.38 -0.85 0.00 -1.64 0.00 0.00 178.16 176.06 2c7i h ARG 26 N 0.21 0.00 -0.00 1.82 3.08 -0.90 -3.16 114.38 115.42 2c7i h ARG 26 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2c7i h ARG 26 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2c7i h ARG 26 CO -0.01 0.85 -0.15 -1.13 -1.07 0.00 0.00 179.97 178.47 2c7i n SER 27 N -3.49 0.16 -4.69 7.04 3.41 -0.69 -4.86 113.62 110.49 2c7i n SER 27 Ca -0.00 0.26 -0.44 0.00 -0.26 0.00 0.00 58.87 58.43 2c7i n SER 27 Cb 0.82 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.49 2.54 -4.64 7.33 7.35 -1.15 -5.00 117.46 122.40 2c7i n PHE 28 Ca 0.07 0.10 -0.34 0.00 -0.76 0.00 0.00 57.45 56.52 2c7i n PHE 28 Cb 0.34 -2.63 -0.12 0.00 0.35 0.00 0.00 39.48 37.41 2c7i n PHE 28 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2c7i s GLN 29 N 1.40 2.92 0.12 -4.13 -2.07 -1.26 -4.94 119.66 111.70 2c7i s GLN 29 Ca 0.78 -0.57 -0.35 0.00 -1.82 0.00 0.00 55.36 53.40 2c7i s GLN 29 Cb -0.57 -2.62 -0.17 0.00 -1.09 0.00 0.00 33.01 28.56 2c7i s GLN 29 CO 0.36 0.56 1.19 0.98 -1.32 0.00 0.00 175.29 177.06 2c7i n TYR 30 N 2.55 1.23 0.00 9.60 9.36 -1.26 -0.68 117.16 137.96 2c7i n TYR 30 Ca -0.18 0.72 0.00 0.00 3.32 0.00 0.00 57.90 61.76 2c7i n TYR 30 Cb 0.53 -2.26 0.00 0.00 -0.63 0.00 0.00 39.34 36.97 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 2.15 2.57 3.62 2.98 0.00 -1.26 -5.06 105.19 110.19 2c7i n GLY 31 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 0.08 -4.75 1.61 9.92 0.15 -4.94 116.55 118.62 2c7i n ASP 32 Ca 0.00 0.47 -0.42 0.00 -0.53 0.00 0.00 54.79 54.31 2c7i n ASP 32 Cb 0.00 -1.43 -0.02 0.00 -0.64 0.00 0.00 41.12 39.03 2c7i n ASP 32 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2c7i s LYS 33 N -4.22 4.13 0.64 -1.24 1.02 -1.26 -4.71 119.74 114.10 2c7i s LYS 33 Ca 0.67 2.57 -0.18 0.00 0.02 0.00 0.00 55.97 59.05 2c7i s LYS 33 Cb -0.25 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.01 2c7i s LYS 33 CO 0.57 -0.63 1.25 -2.14 -0.92 0.00 0.00 175.35 173.48 2c7i s PRO 34 N -0.38 2.67 -0.09 -1.68 0.02 -1.26 -4.63 135.00 129.65 2c7i s PRO 34 Ca 0.64 1.94 0.04 0.00 0.02 0.00 0.00 61.00 63.64 2c7i s PRO 34 Cb -0.48 -1.88 -0.00 0.00 0.02 0.00 0.00 34.50 32.16 2c7i s PRO 34 CO 0.47 -1.47 -0.23 0.42 -0.33 0.00 0.00 177.00 175.85 2c7i s ILE 35 N -1.54 2.13 -0.24 2.83 1.01 0.44 -0.24 121.20 125.59 2c7i s ILE 35 Ca 0.80 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.44 2c7i s ILE 35 Cb -0.34 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.37 2c7i s ILE 35 CO 0.38 0.56 -0.10 -0.22 0.00 0.00 0.00 174.94 175.55 2c7i s LEU 36 N 0.21 3.09 -0.10 2.97 2.96 -0.01 -1.54 118.68 126.27 2c7i s LEU 36 Ca -0.14 -1.03 -0.00 0.00 -0.22 0.00 0.00 54.13 52.73 2c7i s LEU 36 Cb -0.17 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2c7i s LEU 36 CO 0.07 -0.13 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.31 2c7i s ARG 37 N 1.24 3.04 -0.02 1.98 3.52 0.15 -0.70 118.95 128.16 2c7i s ARG 37 Ca -0.02 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 55.07 2c7i s ARG 37 Cb -0.17 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.52 2c7i s ARG 37 CO -0.06 0.52 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.72 2c7i s PHE 38 N -0.40 2.63 -0.00 5.12 0.08 -0.28 -0.92 117.98 124.21 2c7i s PHE 38 Ca 0.06 -0.21 -0.28 0.00 0.12 0.00 0.00 56.93 56.62 2c7i s PHE 38 Cb -0.12 -1.56 0.10 0.00 -0.57 0.00 0.00 43.02 40.86 2c7i s PHE 38 CO 0.02 0.19 0.84 1.52 -0.10 0.00 0.00 175.22 177.69 2c7i s TYR 39 N -0.79 -0.41 0.13 0.36 -0.85 -0.19 -2.59 117.35 113.01 2c7i s TYR 39 Ca 0.13 0.36 0.08 0.00 -0.52 0.00 0.00 57.07 57.12 2c7i s TYR 39 Cb -0.11 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 2c7i s TYR 39 CO 0.02 -0.58 -0.20 1.03 -1.52 0.00 0.00 175.55 174.31 2c7i s ARG 40 N -2.81 1.20 -0.07 -3.49 0.52 -1.26 -0.05 118.95 113.00 2c7i s ARG 40 Ca 0.02 -1.28 0.06 0.00 -0.52 0.00 0.00 55.73 54.00 2c7i s ARG 40 Cb -0.01 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 34.07 2c7i s ARG 40 CO -0.07 0.30 -0.25 -1.01 0.02 0.00 0.00 175.30 174.30 2c7i s HIS 41 N -1.57 2.47 0.43 -0.53 3.76 -1.26 -3.72 115.29 114.87 2c7i s HIS 41 Ca 0.11 -0.78 -0.07 0.00 -0.15 0.00 0.00 55.06 54.16 2c7i s HIS 41 Cb -0.08 -1.62 0.11 0.00 1.11 0.00 0.00 32.58 32.10 2c7i s HIS 41 CO 0.05 -0.25 0.33 -3.47 -0.85 0.00 0.00 174.74 170.54 2c7i n ASP 42 N 3.06 -1.90 -4.60 1.40 -0.08 -0.73 -3.04 116.55 110.66 2c7i n ASP 42 Ca -0.18 -0.54 -0.56 0.00 -1.51 0.00 0.00 54.79 52.00 2c7i n ASP 42 Cb 0.52 -0.32 -0.08 0.00 2.34 0.00 0.00 41.12 43.58 2c7i n ASP 42 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2c7i n ARG 43 N -2.85 1.01 -3.61 -0.67 1.74 -1.23 -4.16 116.66 106.90 2c7i n ARG 43 Ca 0.05 0.34 -0.10 0.00 -0.77 0.00 0.00 57.85 57.37 2c7i n ARG 43 Cb 0.19 -2.14 -0.06 0.00 -1.02 0.00 0.00 32.46 29.44 2c7i n ARG 43 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2c7i s SER 44 N 4.82 -0.41 -0.22 0.55 1.04 -0.66 -3.08 113.70 115.73 2c7i s SER 44 Ca 1.04 0.64 -0.06 0.00 0.48 0.00 0.00 55.95 58.05 2c7i s SER 44 Cb -1.06 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 2c7i s SER 44 CO 0.62 -0.25 0.04 -0.69 0.98 0.00 0.00 173.24 173.94 2c7i s VAL 45 N -0.41 4.22 -0.28 5.02 1.01 0.24 -1.03 120.40 129.18 2c7i s VAL 45 Ca 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 2c7i s VAL 45 Cb -0.03 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2c7i s VAL 45 CO -0.02 0.39 0.11 -0.63 0.00 0.00 0.00 175.10 174.95 2c7i s ILE 46 N 1.20 4.48 0.18 2.22 1.09 -0.28 -1.08 121.20 129.01 2c7i s ILE 46 Ca 0.04 -0.27 -0.01 0.00 -1.10 0.00 0.00 60.65 59.31 2c7i s ILE 46 Cb -0.14 -3.19 -0.04 0.00 -1.06 0.00 0.00 42.46 38.03 2c7i s ILE 46 CO 0.02 0.21 0.37 0.27 -0.10 0.00 0.00 174.94 175.71 2c7i s ILE 47 N 1.62 5.23 0.91 2.92 -4.36 -0.20 -1.16 121.20 126.15 2c7i s ILE 47 Ca 0.05 -0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 59.97 2c7i s ILE 47 Cb -0.16 -3.72 0.14 0.00 1.25 0.00 0.00 42.46 39.97 2c7i s ILE 47 CO 0.05 -0.12 1.10 -0.83 0.24 0.00 0.00 174.94 175.38 2c7i s GLY 48 N -3.06 1.64 0.24 6.27 0.00 -1.25 -1.80 107.32 109.36 2c7i s GLY 48 Ca 0.38 0.17 -0.05 0.00 0.00 0.00 0.00 44.72 45.22 2c7i s GLY 48 CO 0.28 0.64 1.75 -1.82 0.00 0.00 0.00 173.10 173.96 2c7i h TYR 49 N -1.67 0.58 -0.37 1.90 3.20 -1.21 -2.67 116.97 116.73 2c7i h TYR 49 Ca -0.48 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.42 2c7i h TYR 49 Cb 1.27 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.40 2c7i h TYR 49 CO 0.46 0.15 0.00 1.19 -1.64 0.00 0.00 178.16 178.32 2c7i n PHE 50 N -4.93 0.50 -3.41 -3.82 3.72 -1.26 -4.98 117.46 103.28 2c7i n PHE 50 Ca 0.13 -0.25 -0.33 0.00 -0.05 0.00 0.00 57.45 56.95 2c7i n PHE 50 Cb 0.34 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.83 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 -1.50 3.85 -0.34 -1.08 -0.21 -1.01 -5.03 119.66 114.34 2c7i s GLN 51 Ca 0.25 0.33 -0.21 0.00 0.02 0.00 0.00 55.36 55.75 2c7i s GLN 51 Cb 0.13 -2.76 -0.00 0.00 1.00 0.00 0.00 33.01 31.38 2c7i s GLN 51 CO 0.17 0.39 0.65 0.08 -2.12 0.00 0.00 175.29 174.46 2c7i s VAL 52 N -1.68 4.89 0.12 1.09 1.01 -1.26 -4.96 120.40 119.61 2c7i s VAL 52 Ca 0.43 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.81 2c7i s VAL 52 Cb -0.13 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 2c7i s VAL 52 CO 0.20 -0.27 1.58 0.00 0.00 0.00 0.00 175.10 176.61 2c7i h ALA 53 N 8.37 -0.75 0.00 5.51 0.00 -1.91 -1.27 119.26 129.22 2c7i h ALA 53 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2c7i h ALA 53 Cb 1.11 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2c7i h ALA 53 CO 0.83 -1.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.23 2c7i n GLU 54 N -5.45 0.42 0.06 0.00 0.28 -1.26 -0.88 120.64 113.80 2c7i n GLU 54 Ca -0.06 0.06 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 2c7i n GLU 54 Cb 0.38 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.70 2c7i n GLU 54 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2c7i h GLU 55 N 0.00 0.00 0.00 3.44 5.08 -1.65 -3.41 114.58 118.05 2c7i h GLU 55 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2c7i h GLU 55 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2c7i h GLU 55 CO 0.00 0.26 -1.47 0.39 -1.00 0.00 0.00 179.01 177.19 2c7i n GLU 56 N -2.90 0.65 -3.96 2.33 -0.58 -0.06 -5.02 120.64 111.09 2c7i n GLU 56 Ca -0.06 -0.08 -0.09 0.00 -0.42 0.00 0.00 57.16 56.51 2c7i n GLU 56 Cb 0.77 -1.23 -0.10 0.00 -0.57 0.00 0.00 31.44 30.31 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 -2.60 0.12 -0.91 2.62 -7.23 -0.70 -4.61 120.40 107.09 2c7i s VAL 57 Ca -0.04 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.92 2c7i s VAL 57 Cb 0.06 -0.53 0.08 0.00 0.56 0.00 0.00 36.38 36.54 2c7i s VAL 57 CO 0.40 -0.55 1.25 -0.62 -0.31 0.00 0.00 175.10 175.27 2c7i s ASP 58 N -1.71 6.47 0.22 4.85 -1.08 -0.36 -4.53 116.67 120.52 2c7i s ASP 58 Ca -0.11 -1.51 -0.05 0.00 -0.52 0.00 0.00 52.55 50.35 2c7i s ASP 58 Cb -0.06 -2.48 0.19 0.00 -1.46 0.00 0.00 42.92 39.11 2c7i s ASP 58 CO -0.02 -1.37 1.68 -0.07 0.52 0.00 0.00 175.17 175.91 2c7i h LEU 59 N 11.74 0.88 0.36 -1.34 3.38 -1.91 -0.66 115.31 127.76 2c7i h LEU 59 Ca 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2c7i h LEU 59 Cb 1.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2c7i h LEU 59 CO 1.26 0.98 -0.17 -0.78 0.09 0.00 0.00 178.44 179.82 2c7i h ASP 60 N 0.81 -0.41 -0.57 -0.43 3.58 -1.99 0.07 116.42 117.49 2c7i h ASP 60 Ca 0.14 -0.05 0.12 0.00 0.42 0.00 0.00 57.03 57.66 2c7i h ASP 60 Cb 0.57 0.11 -0.10 0.00 1.72 0.00 0.00 39.33 41.63 2c7i h ASP 60 CO 0.03 -0.21 -0.09 0.22 -2.88 0.00 0.00 179.24 176.31 2c7i h TYR 61 N -0.58 -0.21 -0.90 0.28 3.20 -1.95 0.15 116.97 116.96 2c7i h TYR 61 Ca -0.05 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2c7i h TYR 61 Cb 0.43 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 2c7i h TYR 61 CO -0.03 -0.21 0.50 0.52 -1.64 0.00 0.00 178.16 177.30 2c7i h MET 62 N 0.04 1.24 0.63 1.82 2.86 -0.84 -2.23 114.93 118.45 2c7i h MET 62 Ca 0.28 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 2c7i h MET 62 Cb 0.44 -0.25 0.01 0.00 0.06 0.00 0.00 31.60 31.86 2c7i h MET 62 CO -0.55 0.90 -0.30 -0.22 1.06 0.00 0.00 176.91 177.79 2c7i h LYS 63 N 1.25 -0.82 -0.51 1.72 3.64 -0.56 -0.47 116.57 120.82 2c7i h LYS 63 Ca 0.32 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.88 2c7i h LYS 63 Cb 0.01 0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 31.92 2c7i h LYS 63 CO -0.05 -0.51 -0.04 1.17 -2.27 0.00 0.00 179.45 177.75 2c7i n LYS 64 N -5.40 -0.04 0.00 1.90 4.81 0.51 -2.42 118.16 117.51 2c7i n LYS 64 Ca -0.13 0.77 0.05 0.00 -0.87 0.00 0.00 58.31 58.13 2c7i n LYS 64 Cb 0.36 -1.20 0.02 0.00 0.02 0.00 0.00 35.03 34.23 2c7i n LYS 64 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2c7i n ASN 65 N -4.69 1.43 0.00 3.14 4.13 -0.87 -4.97 115.26 113.43 2c7i n ASN 65 Ca 0.10 -1.21 0.00 0.00 1.68 0.00 0.00 54.58 55.15 2c7i n ASN 65 Cb 0.34 0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 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 0.71 0.83 3.64 7.41 0.00 -0.64 -5.04 105.19 112.10 2c7i n GLY 66 Ca 0.05 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.00 5.23 0.20 -0.61 1.01 -0.28 -4.94 121.20 119.81 2c7i s ILE 67 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.88 2c7i s ILE 67 Cb 0.00 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 2c7i s ILE 67 CO 0.00 0.24 1.13 -0.32 0.00 0.00 0.00 174.94 175.99 2c7i s MET 68 N 1.53 4.57 -0.15 2.79 -2.45 -1.18 -4.57 119.30 119.84 2c7i s MET 68 Ca 0.15 1.79 -0.18 0.00 -1.25 0.00 0.00 55.69 56.19 2c7i s MET 68 Cb -0.15 -3.25 -0.04 0.00 1.25 0.00 0.00 34.83 32.65 2c7i s MET 68 CO 0.08 0.05 0.49 -1.17 1.05 0.00 0.00 175.02 175.52 2c7i s LEU 69 N -0.56 4.23 -0.04 4.11 2.96 -1.26 0.83 118.68 128.95 2c7i s LEU 69 Ca 0.49 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 55.18 2c7i s LEU 69 Cb -0.31 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 43.70 2c7i s LEU 69 CO 0.37 -0.07 -0.05 0.00 -1.32 0.00 0.00 176.35 175.28 2c7i s ALA 70 N 0.99 0.72 -0.08 5.97 0.00 -0.24 -4.95 121.76 124.17 2c7i s ALA 70 Ca 0.25 -0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.95 2c7i s ALA 70 Cb -0.15 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2c7i s ALA 70 CO 0.10 0.01 0.47 0.50 0.00 0.00 0.00 175.76 176.85 2c7i s ARG 71 N 0.85 4.25 0.51 0.00 3.52 -1.26 -1.03 118.95 125.77 2c7i s ARG 71 Ca -0.12 0.47 0.06 0.00 -0.13 0.00 0.00 55.73 56.01 2c7i s ARG 71 Cb -0.14 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 29.91 2c7i s ARG 71 CO 0.01 0.31 0.70 -0.98 -0.81 0.00 0.00 175.30 174.53 2c7i s ARG 72 N 0.12 2.56 0.10 5.12 1.70 -0.75 -4.94 118.95 122.85 2c7i s ARG 72 Ca 0.26 -1.19 -0.05 0.00 -0.47 0.00 0.00 55.73 54.28 2c7i s ARG 72 Cb -0.16 -2.63 -0.20 0.00 -0.57 0.00 0.00 34.95 31.39 2c7i s ARG 72 CO 0.12 -0.60 1.21 -0.92 -1.08 0.00 0.00 175.30 174.03 2c7i h TYR 73 N 0.31 0.59 -4.30 5.89 3.20 -1.92 -3.11 116.97 117.64 2c7i h TYR 73 Ca -0.38 -0.38 -0.50 0.00 3.14 0.00 0.00 58.73 60.60 2c7i h TYR 73 Cb 1.28 -0.05 0.06 0.00 1.54 0.00 0.00 36.73 39.57 2c7i h TYR 73 CO 0.35 1.25 0.39 0.95 -1.64 0.00 0.00 178.16 179.45 2c7i s THR 74 N -2.94 4.52 0.00 1.81 -4.23 -1.26 -4.57 115.64 108.96 2c7i s THR 74 Ca -0.05 0.74 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2c7i s THR 74 Cb 0.08 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2c7i s THR 74 CO 0.88 -1.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 2c7i n GLY 75 N -2.74 -1.03 2.37 3.99 0.00 -1.26 -1.56 105.19 104.96 2c7i n GLY 75 Ca 0.06 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 4.06 -1.79 4.02 -0.02 0.00 -1.26 -4.64 105.19 105.55 2c7i n GLY 76 Ca 0.00 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 2c7i n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c7i s GLY 77 N -0.14 1.83 0.24 -0.02 0.00 -1.26 -3.93 107.32 104.04 2c7i s GLY 77 Ca 0.00 -2.00 -0.27 0.00 0.00 0.00 0.00 44.72 42.45 2c7i s GLY 77 CO 0.00 -1.70 0.88 0.00 0.00 0.00 0.00 173.10 172.28 2c7i s ALA 78 N -2.65 3.34 0.05 3.20 0.00 -1.26 -3.77 121.76 120.67 2c7i s ALA 78 Ca 0.58 0.49 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2c7i s ALA 78 Cb -0.06 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 2c7i s ALA 78 CO 0.36 0.23 -0.04 0.14 0.00 0.00 0.00 175.76 176.45 2c7i s VAL 79 N -1.30 0.29 -0.14 0.00 -7.23 -0.31 -4.99 120.40 106.72 2c7i s VAL 79 Ca 0.42 -1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 59.13 2c7i s VAL 79 Cb -0.23 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.68 2c7i s VAL 79 CO 0.28 -0.73 -0.06 -0.47 -0.31 0.00 0.00 175.10 173.80 2c7i s TYR 80 N -2.73 2.97 0.03 2.82 5.04 -1.26 -1.12 117.35 123.11 2c7i s TYR 80 Ca -0.02 -0.31 0.08 0.00 -2.44 0.00 0.00 57.07 54.37 2c7i s TYR 80 Cb -0.01 -1.90 -0.03 0.00 0.35 0.00 0.00 41.96 40.37 2c7i s TYR 80 CO -0.05 -0.01 -0.23 -1.01 -1.34 0.00 0.00 175.55 172.91 2c7i s HIS 81 N 0.19 2.43 0.00 4.97 3.76 -0.20 -4.99 115.29 121.45 2c7i s HIS 81 Ca -0.03 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2c7i s HIS 81 Cb -0.14 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.10 2c7i s HIS 81 CO 0.03 0.15 0.00 -0.40 -0.85 0.00 0.00 174.74 173.68 2c7i n ASP 82 N 1.82 0.22 0.00 1.40 5.68 -1.22 -1.65 116.55 122.80 2c7i n ASP 82 Ca -0.17 -0.95 0.07 0.00 -0.50 0.00 0.00 54.79 53.25 2c7i n ASP 82 Cb 0.52 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.84 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 -0.07 -2.12 4.77 -1.17 -1.61 117.00 116.80 2c7i n LEU 83 Ca 0.00 0.44 0.15 0.00 -0.03 0.00 0.00 56.01 56.57 2c7i n LEU 83 Cb 0.00 -0.44 0.78 0.00 -2.33 0.00 0.00 43.42 41.43 2c7i n LEU 83 CO 0.00 -0.21 1.01 0.61 -1.33 0.00 0.00 177.39 177.47 2c7i n GLY 84 N 0.07 -0.97 3.76 -0.72 0.00 -1.26 -4.78 105.19 101.28 2c7i n GLY 84 Ca 0.05 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.27 6.29 -0.25 1.61 1.01 -0.63 -0.58 116.67 121.86 2c7i s ASP 85 Ca 0.37 0.33 -0.09 0.00 0.71 0.00 0.00 52.55 53.87 2c7i s ASP 85 Cb 0.21 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 2c7i s ASP 85 CO 0.42 0.21 0.13 -0.22 0.21 0.00 0.00 175.17 175.91 2c7i s LEU 86 N 0.12 3.82 0.12 1.23 2.96 0.09 -4.58 118.68 122.44 2c7i s LEU 86 Ca 0.11 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 2c7i s LEU 86 Cb -0.12 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2c7i s LEU 86 CO 0.00 0.01 0.24 0.20 -1.32 0.00 0.00 176.35 175.49 2c7i s ASN 87 N 1.35 6.28 -0.21 3.68 0.01 0.93 -0.19 114.94 126.78 2c7i s ASN 87 Ca 0.06 0.19 -0.19 0.00 -0.71 0.00 0.00 52.86 52.21 2c7i s ASN 87 Cb -0.15 -1.89 0.06 0.00 0.41 0.00 0.00 41.25 39.68 2c7i s ASN 87 CO 0.06 0.10 0.57 0.72 -1.51 0.00 0.00 177.10 177.03 2c7i s PHE 88 N -1.65 -0.64 0.06 2.20 -0.12 -0.69 -1.02 117.98 116.12 2c7i s PHE 88 Ca 0.34 1.54 0.07 0.00 -0.05 0.00 0.00 56.93 58.83 2c7i s PHE 88 Cb -0.12 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 2c7i s PHE 88 CO 0.28 -0.31 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.41 2c7i s SER 89 N 0.39 2.26 -0.12 1.98 1.04 -0.09 -1.05 113.70 118.11 2c7i s SER 89 Ca -0.01 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 55.89 2c7i s SER 89 Cb -0.04 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.94 2c7i s SER 89 CO -0.01 0.09 -0.17 -0.69 0.98 0.00 0.00 173.24 173.44 2c7i s VAL 90 N -0.92 1.70 -0.13 5.02 1.01 0.50 -0.68 120.40 126.90 2c7i s VAL 90 Ca 0.05 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2c7i s VAL 90 Cb -0.09 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 2c7i s VAL 90 CO 0.02 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.75 2c7i s VAL 91 N 0.99 2.68 0.24 2.92 1.01 -0.59 -1.48 120.40 126.17 2c7i s VAL 91 Ca -0.05 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 2c7i s VAL 91 Cb -0.15 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2c7i s VAL 91 CO -0.03 0.53 0.49 0.00 0.00 0.00 0.00 175.10 176.09 2c7i s ARG 92 N 0.55 1.52 0.42 2.72 1.70 -1.02 -0.42 118.95 124.43 2c7i s ARG 92 Ca -0.10 -1.18 -0.25 0.00 -0.47 0.00 0.00 55.73 53.73 2c7i s ARG 92 Cb -0.16 0.48 -0.10 0.00 -0.57 0.00 0.00 34.95 34.60 2c7i s ARG 92 CO 0.04 -0.64 1.24 0.43 -1.08 0.00 0.00 175.30 175.29 2c7i n SER 93 N -0.37 2.38 -4.12 -2.89 7.64 -1.26 -1.40 113.62 113.59 2c7i n SER 93 Ca -0.03 1.10 -0.26 0.00 1.01 0.00 0.00 58.87 60.69 2c7i n SER 93 Cb 0.62 -1.48 -0.16 0.00 -1.01 0.00 0.00 64.21 62.18 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 -0.57 2.14 -0.08 6.43 0.15 -0.26 -4.70 113.70 116.80 2c7i s SER 94 Ca 0.61 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.90 2c7i s SER 94 Cb -0.51 -0.65 -0.26 0.00 -1.71 0.00 0.00 66.02 62.89 2c7i s SER 94 CO 0.58 0.14 0.50 0.44 1.20 0.00 0.00 173.24 176.10 2c7i h ASP 95 N 6.34 0.30 -3.56 5.45 3.45 -1.95 -3.35 116.42 123.10 2c7i h ASP 95 Ca -0.32 -0.64 -0.25 0.00 0.43 0.00 0.00 57.03 56.25 2c7i h ASP 95 Cb 1.18 -0.10 -0.05 0.00 -0.56 0.00 0.00 39.33 39.80 2c7i h ASP 95 CO 0.48 1.57 -0.20 -0.90 -1.57 0.00 0.00 179.24 178.62 2c7i n ASP 96 N -3.36 1.28 -0.62 6.45 5.75 -1.26 -4.97 116.55 119.83 2c7i n ASP 96 Ca -0.26 -1.94 0.06 0.00 -0.01 0.00 0.00 54.79 52.64 2c7i n ASP 96 Cb 1.05 0.40 0.20 0.00 -1.03 0.00 0.00 41.12 41.75 2c7i n ASP 96 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2c7i n MET 97 N -0.42 1.55 -2.78 0.11 2.81 -1.26 -4.93 117.12 112.20 2c7i n MET 97 Ca -0.03 -3.27 -0.43 0.00 -1.81 0.00 0.00 57.70 52.16 2c7i n MET 97 Cb 0.27 -1.58 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 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 -3.21 6.56 0.34 7.83 -1.08 -1.26 -4.79 116.67 121.06 2c7i s ASP 98 Ca 0.38 -1.76 0.17 0.00 -0.52 0.00 0.00 52.55 50.81 2c7i s ASP 98 Cb 0.37 -2.47 0.49 0.00 -1.46 0.00 0.00 42.92 39.86 2c7i s ASP 98 CO -0.07 -1.25 1.64 -0.29 0.52 0.00 0.00 175.17 175.72 2c7i h ILE 99 N 6.20 0.94 -0.72 4.11 2.10 -2.00 -2.97 117.51 125.17 2c7i h ILE 99 Ca 0.15 -1.79 -0.02 0.00 1.08 0.00 0.00 64.86 64.28 2c7i h ILE 99 Cb 1.02 2.09 -0.03 0.00 -1.09 0.00 0.00 36.82 38.80 2c7i h ILE 99 CO 1.23 0.43 0.35 0.74 -1.08 0.00 0.00 178.15 179.82 2c7i h THR 100 N 0.00 1.23 0.00 2.19 2.02 -2.00 -0.88 112.91 115.46 2c7i h THR 100 Ca -0.00 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 2c7i h THR 100 Cb 1.05 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2c7i h THR 100 CO 0.06 0.27 -0.13 0.28 0.37 0.00 0.00 175.52 176.36 2c7i h SER 101 N 1.02 0.00 -0.07 4.18 0.02 -1.94 -2.29 113.55 114.47 2c7i h SER 101 Ca 0.25 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2c7i h SER 101 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2c7i h SER 101 CO -0.03 0.13 -0.09 -0.03 -1.14 0.00 0.00 176.83 175.67 2c7i h MET 102 N 0.00 0.18 -0.90 3.45 -1.53 -1.09 -0.23 114.93 114.80 2c7i h MET 102 Ca -0.00 -0.10 0.04 0.00 -3.44 0.00 0.00 59.70 56.20 2c7i h MET 102 Cb 1.04 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 32.05 2c7i h MET 102 CO 0.02 0.65 0.59 0.74 0.14 0.00 0.00 176.91 179.05 2c7i h PHE 103 N -0.28 1.08 0.32 1.39 0.04 -1.26 -0.66 116.94 117.57 2c7i h PHE 103 Ca 0.01 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 2c7i h PHE 103 Cb 0.63 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2c7i h PHE 103 CO 0.10 0.62 -0.15 0.00 -0.60 0.00 0.00 178.31 178.28 2c7i h ARG 104 N 1.11 -0.42 -0.27 1.51 2.47 -1.27 -0.38 114.38 117.13 2c7i h ARG 104 Ca 0.36 0.03 0.05 0.00 -1.26 0.00 0.00 59.98 59.16 2c7i h ARG 104 Cb 0.04 0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.41 2c7i h ARG 104 CO -0.11 -0.18 -0.01 1.15 0.56 0.00 0.00 179.97 181.38 2c7i h THR 105 N -0.59 0.79 -0.33 2.04 2.02 -0.92 -1.79 112.91 114.13 2c7i h THR 105 Ca -0.04 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 2c7i h THR 105 Cb 0.43 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2c7i h THR 105 CO 0.07 0.01 -0.25 0.24 0.37 0.00 0.00 175.52 175.96 2c7i h MET 106 N 0.06 0.66 -0.46 6.66 2.07 -1.11 -2.22 114.93 120.59 2c7i h MET 106 Ca 0.13 -0.27 -0.06 0.00 -2.07 0.00 0.00 59.70 57.43 2c7i h MET 106 Cb 0.18 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.86 2c7i h MET 106 CO -0.23 0.85 0.03 -0.91 1.07 0.00 0.00 176.91 177.72 2c7i h ASN 107 N 0.57 0.69 -0.16 1.22 2.35 -0.92 -1.07 115.58 118.25 2c7i h ASN 107 Ca 0.08 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2c7i h ASN 107 Cb 0.73 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 2c7i h ASN 107 CO 0.06 0.73 0.07 -0.08 -1.65 0.00 0.00 177.43 176.56 2c7i h GLU 108 N 0.69 0.15 -0.34 0.81 4.81 -0.98 -0.40 114.58 119.32 2c7i h GLU 108 Ca 0.14 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2c7i h GLU 108 Cb 0.38 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2c7i h GLU 108 CO 0.01 0.10 0.09 0.00 -0.73 0.00 0.00 179.01 178.49 2c7i h ALA 109 N 1.09 0.37 -0.31 2.92 0.00 -1.10 0.19 119.26 122.42 2c7i h ALA 109 Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2c7i h ALA 109 Cb 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2c7i h ALA 109 CO -0.06 -0.31 0.18 0.28 0.00 0.00 0.00 179.25 179.34 2c7i h VAL 110 N 0.23 1.12 -0.45 0.00 2.07 -1.06 0.24 116.25 118.40 2c7i h VAL 110 Ca 0.16 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2c7i h VAL 110 Cb 0.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2c7i h VAL 110 CO -0.18 0.12 0.26 0.58 0.02 0.00 0.00 177.57 178.37 2c7i h VAL 111 N 0.39 1.03 -1.01 2.57 2.07 -0.79 0.86 116.25 121.37 2c7i h VAL 111 Ca 0.11 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.47 2c7i h VAL 111 Cb 0.04 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 2c7i h VAL 111 CO -0.02 0.09 0.67 -1.13 0.02 0.00 0.00 177.57 177.20 2c7i h ASN 112 N 0.52 1.14 -0.51 0.57 -1.24 -0.83 0.19 115.58 115.42 2c7i h ASN 112 Ca 0.18 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 2c7i h ASN 112 Cb 0.03 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.78 2c7i h ASN 112 CO -0.09 0.82 0.13 0.28 -1.29 0.00 0.00 177.43 177.27 2c7i h SER 113 N 1.34 0.77 0.46 1.15 0.02 -0.11 -2.60 113.55 114.58 2c7i h SER 113 Ca 0.38 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 2c7i h SER 113 Cb -0.12 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 2c7i h SER 113 CO -0.09 0.80 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.76 2c7i h LEU 114 N 0.71 0.12 -0.85 5.07 3.38 -0.44 -2.28 115.31 121.02 2c7i h LEU 114 Ca 0.16 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.15 2c7i h LEU 114 Cb 0.32 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 2c7i h LEU 114 CO 0.00 0.66 0.51 -0.09 0.09 0.00 0.00 178.44 179.61 2c7i h ARG 115 N 0.08 0.85 -0.19 1.13 2.43 -0.79 0.10 114.38 117.99 2c7i h ARG 115 Ca -0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2c7i h ARG 115 Cb 1.02 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2c7i h ARG 115 CO 0.08 0.56 0.02 0.82 -1.51 0.00 0.00 179.97 179.94 2c7i h ILE 116 N 0.87 1.12 0.00 1.20 2.04 -1.03 -1.48 117.51 120.23 2c7i h ILE 116 Ca 0.40 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2c7i h ILE 116 Cb 0.31 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2c7i h ILE 116 CO -0.22 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.25 2c7i n LEU 117 N -4.39 0.00 0.00 1.44 4.77 -0.56 -4.91 117.00 113.35 2c7i n LEU 117 Ca -0.00 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2c7i n LEU 117 Cb 0.17 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2c7i n LEU 117 CO 0.36 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2c7i n GLY 118 N 1.48 0.74 3.44 -0.72 0.00 -0.56 -4.97 105.19 104.60 2c7i n GLY 118 Ca 0.07 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.21 -0.18 0.99 2.96 -0.09 -4.99 118.68 120.59 2c7i s LEU 119 Ca 0.00 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.50 2c7i s LEU 119 Cb 0.00 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2c7i s LEU 119 CO 0.00 0.06 0.56 -0.62 -1.32 0.00 0.00 176.35 175.03 2c7i s ASP 120 N 0.99 6.65 0.21 3.68 -1.08 -1.26 -3.02 116.67 122.83 2c7i s ASP 120 Ca 0.01 0.78 -0.13 0.00 -0.52 0.00 0.00 52.55 52.70 2c7i s ASP 120 Cb -0.14 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2c7i s ASP 120 CO 0.01 -0.17 0.43 0.00 0.52 0.00 0.00 175.17 175.96 2c7i s ALA 121 N 1.49 -0.35 0.03 3.66 0.00 -1.26 -4.66 121.76 120.67 2c7i s ALA 121 Ca 0.27 -0.70 -0.10 0.00 0.00 0.00 0.00 51.96 51.42 2c7i s ALA 121 Cb -0.16 0.94 0.01 0.00 0.00 0.00 0.00 23.12 23.91 2c7i s ALA 121 CO 0.10 -0.77 0.20 1.03 0.00 0.00 0.00 175.76 176.33 2c7i s ARG 122 N -3.96 0.67 0.53 0.00 0.52 -0.39 -4.87 118.95 111.44 2c7i s ARG 122 Ca 0.17 -0.56 -0.22 0.00 -0.52 0.00 0.00 55.73 54.60 2c7i s ARG 122 Cb 0.01 0.28 -0.05 0.00 0.52 0.00 0.00 34.95 35.70 2c7i s ARG 122 CO 0.03 -0.19 1.33 -1.25 0.02 0.00 0.00 175.30 175.23 2c7i s PRO 123 N -2.32 3.27 1.14 3.54 0.04 -1.26 0.11 135.00 139.51 2c7i s PRO 123 Ca -0.07 2.16 -0.13 0.00 0.04 0.00 0.00 61.00 63.01 2c7i s PRO 123 Cb -0.02 -2.30 0.27 0.00 0.04 0.00 0.00 34.50 32.49 2c7i s PRO 123 CO -0.03 -1.07 1.04 0.20 0.04 0.00 0.00 177.00 177.19 2c7i s GLY 124 N -1.01 1.54 0.00 0.56 0.00 -0.35 -4.76 107.32 103.31 2c7i s GLY 124 Ca 0.70 -0.20 0.13 0.00 0.00 0.00 0.00 44.72 45.35 2c7i s GLY 124 CO 0.46 0.50 0.63 -1.84 0.00 0.00 0.00 173.10 172.86 2c7i n GLU 125 N -4.79 2.36 -3.94 2.90 0.28 -1.07 -3.89 120.64 112.49 2c7i n GLU 125 Ca 0.03 -0.24 -0.32 0.00 -0.16 0.00 0.00 57.16 56.47 2c7i n GLU 125 Cb 0.55 -1.15 -0.05 0.00 1.43 0.00 0.00 31.44 32.22 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 -2.39 4.28 0.05 -1.84 1.43 -0.40 -4.86 118.68 114.95 2c7i s LEU 126 Ca 0.07 0.27 0.22 0.00 -1.03 0.00 0.00 54.13 53.67 2c7i s LEU 126 Cb 0.10 -2.72 -0.08 0.00 0.03 0.00 0.00 46.19 43.53 2c7i s LEU 126 CO 0.48 0.22 0.88 0.59 0.23 0.00 0.00 176.35 178.75 2c7i n ASN 127 N 0.66 0.52 -4.62 2.29 3.02 -1.26 -1.99 115.26 113.89 2c7i n ASN 127 Ca -0.08 -0.12 -0.43 0.00 -0.03 0.00 0.00 54.58 53.92 2c7i n ASN 127 Cb 0.52 1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 40.72 2c7i n ASN 127 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2c7i s ASP 128 N -4.27 5.71 -0.07 6.41 1.11 -1.26 -4.81 116.67 119.49 2c7i s ASP 128 Ca 0.00 2.10 0.08 0.00 0.18 0.00 0.00 52.55 54.91 2c7i s ASP 128 Cb 0.14 -2.52 0.36 0.00 1.07 0.00 0.00 42.92 41.96 2c7i s ASP 128 CO 0.83 -1.73 1.14 1.33 1.18 0.00 0.00 175.17 177.93 2c7i n VAL 129 N 7.18 1.00 -2.13 -1.27 0.24 -1.26 -3.37 118.33 118.71 2c7i n VAL 129 Ca 0.27 -0.58 -0.02 0.00 -2.04 0.00 0.00 64.34 61.97 2c7i n VAL 129 Cb 0.44 -0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.60 2c7i n VAL 129 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2c7i n SER 130 N 0.37 -0.20 -4.90 -1.34 3.41 -1.26 -4.87 113.62 104.83 2c7i n SER 130 Ca 0.12 -1.83 -0.29 0.00 -0.26 0.00 0.00 58.87 56.62 2c7i n SER 130 Cb 0.55 0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.58 2c7i n SER 130 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2c7i s ILE 131 N 0.00 3.77 -0.02 -1.33 1.09 -1.22 -5.05 121.20 118.45 2c7i s ILE 131 Ca 0.09 0.32 -0.25 0.00 -1.10 0.00 0.00 60.65 59.70 2c7i s ILE 131 Cb 0.10 -3.53 -0.20 0.00 -1.06 0.00 0.00 42.46 37.77 2c7i s ILE 131 CO -0.05 -0.63 1.25 -0.65 -0.10 0.00 0.00 174.94 174.76 2c7i h PRO 132 N -0.38 0.06 -4.88 2.79 0.11 -1.97 -3.48 132.00 124.25 2c7i h PRO 132 Ca -0.45 -0.03 -0.36 0.00 0.11 0.00 0.00 66.00 65.26 2c7i h PRO 132 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 2c7i h PRO 132 CO 0.62 0.56 -0.60 0.54 -0.21 0.00 0.00 178.00 178.92 2c7i s VAL 133 N -4.13 0.49 -0.57 3.15 0.11 -1.26 -4.89 120.40 113.30 2c7i s VAL 133 Ca -0.16 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 56.89 2c7i s VAL 133 Cb 0.02 -2.60 0.00 0.00 -1.53 0.00 0.00 36.38 32.27 2c7i s VAL 133 CO 0.69 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 169.26 2c7i n ASN 134 N -0.57 -2.82 -4.92 3.54 5.15 -1.26 -5.01 115.26 109.37 2c7i n ASN 134 Ca 0.00 0.04 -0.26 0.00 -0.60 0.00 0.00 54.58 53.76 2c7i n ASN 134 Cb 0.66 -1.83 0.01 0.00 -0.53 0.00 0.00 39.78 38.08 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 -3.86 3.31 0.03 1.20 1.02 -1.26 -1.28 119.74 118.90 2c7i s LYS 135 Ca 0.00 -0.02 0.17 0.00 0.02 0.00 0.00 55.97 56.14 2c7i s LYS 135 Cb 0.00 -2.41 0.72 0.00 -0.52 0.00 0.00 37.83 35.62 2c7i s LYS 135 CO 0.00 -0.30 1.54 1.63 -0.92 0.00 0.00 175.35 177.30 2c7i n LYS 136 N -2.26 0.03 0.00 1.68 5.02 -0.84 -1.46 118.16 120.32 2c7i n LYS 136 Ca 0.01 0.25 0.11 0.00 -2.02 0.00 0.00 58.31 56.66 2c7i n LYS 136 Cb 0.56 -1.55 0.11 0.00 -0.02 0.00 0.00 35.03 34.13 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 -1.60 0.00 -3.32 -0.18 -2.24 -1.26 -4.48 114.28 101.20 2c7i n THR 137 Ca 0.04 -0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 2c7i n THR 137 Cb 0.20 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.94 6.69 -0.21 3.42 1.01 -0.54 -2.57 116.67 121.53 2c7i s ASP 138 Ca 0.11 1.05 -0.05 0.00 0.71 0.00 0.00 52.55 54.37 2c7i s ASP 138 Cb 0.17 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 2c7i s ASP 138 CO 0.74 -0.11 0.00 -0.63 0.21 0.00 0.00 175.17 175.39 2c7i s ILE 139 N -1.85 3.94 -0.19 0.77 -1.09 -0.42 -1.21 121.20 121.14 2c7i s ILE 139 Ca 0.49 -0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 58.57 2c7i s ILE 139 Cb -0.11 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.97 2c7i s ILE 139 CO 0.20 0.42 -0.06 -0.04 -1.23 0.00 0.00 174.94 174.23 2c7i s MET 140 N 1.13 3.42 -1.02 2.79 -1.94 0.30 -1.12 119.30 122.86 2c7i s MET 140 Ca 0.03 -0.62 -0.17 0.00 -1.71 0.00 0.00 55.69 53.22 2c7i s MET 140 Cb -0.14 -2.93 0.15 0.00 2.01 0.00 0.00 34.83 33.92 2c7i s MET 140 CO 0.01 -0.06 1.20 0.00 -0.01 0.00 0.00 175.02 176.17 2c7i s ALA 141 N 1.12 3.63 0.00 3.03 0.00 0.40 -1.26 121.76 128.68 2c7i s ALA 141 Ca 0.01 -3.00 0.00 0.00 0.00 0.00 0.00 51.96 48.97 2c7i s ALA 141 Cb -0.15 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2c7i s ALA 141 CO -0.01 -2.87 0.00 0.41 0.00 0.00 0.00 175.76 173.30 2c7i n GLY 142 N 4.93 3.52 0.09 0.00 0.00 -1.26 -2.63 105.19 109.83 2c7i n GLY 142 Ca 0.27 -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 13.49 0.48 -4.07 1.61 0.28 -1.26 -4.84 120.64 126.34 2c7i n GLU 143 Ca 0.00 -0.17 -0.35 0.00 -0.16 0.00 0.00 57.16 56.48 2c7i n GLU 143 Cb 0.00 -1.50 -0.10 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 -2.64 3.81 0.04 3.44 -0.14 -1.08 -4.86 119.74 118.31 2c7i s LYS 144 Ca 0.24 -0.35 -0.30 0.00 -1.36 0.00 0.00 55.97 54.20 2c7i s LYS 144 Cb 0.19 -3.14 -0.04 0.00 -1.68 0.00 0.00 37.83 33.16 2c7i s LYS 144 CO 0.52 0.36 1.07 0.21 -0.76 0.00 0.00 175.35 176.75 2c7i s LYS 145 N 0.12 4.52 0.00 1.68 2.20 0.02 -0.45 119.74 127.82 2c7i s LYS 145 Ca 0.05 1.58 0.04 0.00 -0.36 0.00 0.00 55.97 57.27 2c7i s LYS 145 Cb -0.12 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2c7i s LYS 145 CO 0.01 -0.11 0.25 0.44 -0.36 0.00 0.00 175.35 175.58 2c7i n ILE 146 N 3.78 0.00 -3.57 5.43 -5.35 -0.28 -1.46 119.36 117.91 2c7i n ILE 146 Ca 0.07 -0.41 -0.17 0.00 -0.27 0.00 0.00 62.75 61.97 2c7i n ILE 146 Cb 0.49 1.01 -0.07 0.00 -1.74 0.00 0.00 39.64 39.34 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 -1.28 0.97 0.20 6.28 0.00 -1.17 -0.78 119.30 123.52 2c7i s MET 147 Ca 0.02 0.41 0.06 0.00 0.00 0.00 0.00 55.69 56.19 2c7i s MET 147 Cb 0.03 0.46 -0.05 0.00 0.00 0.00 0.00 34.83 35.28 2c7i s MET 147 CO 0.16 -0.26 -0.11 0.20 0.00 0.00 0.00 175.02 175.01 2c7i s GLY 148 N -0.79 1.38 0.12 2.11 0.00 -1.07 -1.30 107.32 107.77 2c7i s GLY 148 Ca -0.08 -1.65 -0.02 0.00 0.00 0.00 0.00 44.72 42.97 2c7i s GLY 148 CO 0.07 -1.71 0.07 0.00 0.00 0.00 0.00 173.10 171.53 2c7i s ALA 149 N -3.11 0.67 0.22 3.20 0.00 -1.06 -1.71 121.76 119.98 2c7i s ALA 149 Ca 0.22 -1.34 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 2c7i s ALA 149 Cb 0.01 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 2c7i s ALA 149 CO 0.06 -0.48 0.43 0.00 0.00 0.00 0.00 175.76 175.76 2c7i s ALA 150 N -4.01 -0.19 0.21 0.00 0.00 -0.19 -4.89 121.76 112.69 2c7i s ALA 150 Ca 0.20 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 51.07 2c7i s ALA 150 Cb 0.07 1.03 0.05 0.00 0.00 0.00 0.00 23.12 24.27 2c7i s ALA 150 CO -0.01 -0.80 0.75 0.20 0.00 0.00 0.00 175.76 175.91 2c7i s GLY 151 N -3.00 -0.26 -0.07 0.00 0.00 -1.26 -1.42 107.32 101.30 2c7i s GLY 151 Ca 0.21 0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.87 2c7i s GLY 151 CO 0.06 0.02 0.29 0.00 0.00 0.00 0.00 173.10 173.47 2c7i s ALA 152 N -3.69 -0.72 -0.07 3.20 0.00 -0.15 -4.64 121.76 115.68 2c7i s ALA 152 Ca 0.09 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.69 2c7i s ALA 152 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2c7i s ALA 152 CO 0.00 -0.19 -0.22 -1.64 0.00 0.00 0.00 175.76 173.72 2c7i s MET 153 N -0.45 2.72 0.36 0.00 -1.94 -1.26 -0.57 119.30 118.16 2c7i s MET 153 Ca -0.06 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.08 2c7i s MET 153 Cb -0.04 -2.27 -0.00 0.00 2.01 0.00 0.00 34.83 34.53 2c7i s MET 153 CO 0.02 0.36 0.03 2.89 -0.01 0.00 0.00 175.02 178.31 2c7i n ARG 154 N 3.02 0.97 -2.15 2.03 1.85 -0.78 -5.04 116.66 116.55 2c7i n ARG 154 Ca -0.18 -2.72 -0.42 0.00 -1.00 0.00 0.00 57.85 53.53 2c7i n ARG 154 Cb 0.52 0.92 -0.03 0.00 -1.05 0.00 0.00 32.46 32.82 2c7i n ARG 154 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2c7i s LYS 155 N -3.32 4.20 0.00 2.89 -2.85 -1.26 -3.08 119.74 116.33 2c7i s LYS 155 Ca 0.04 2.01 0.00 0.00 -1.00 0.00 0.00 55.97 57.02 2c7i s LYS 155 Cb 0.00 -3.89 0.00 0.00 -2.06 0.00 0.00 37.83 31.89 2c7i s LYS 155 CO 0.03 -0.78 0.00 0.41 0.10 0.00 0.00 175.35 175.10 2c7i n GLY 156 N 3.93 2.73 3.28 0.59 0.00 -1.26 -5.00 105.19 109.47 2c7i n GLY 156 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.73 -0.90 0.04 4.61 0.00 -1.18 -1.10 121.76 120.51 2c7i s ALA 157 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.40 2c7i s ALA 157 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2c7i s ALA 157 CO 0.00 -0.30 -0.13 -1.59 0.00 0.00 0.00 175.76 173.73 2c7i s LYS 158 N -1.54 0.89 -0.08 0.00 -2.85 -0.49 -1.87 119.74 113.79 2c7i s LYS 158 Ca -0.12 -0.76 0.05 0.00 -1.00 0.00 0.00 55.97 54.14 2c7i s LYS 158 Cb -0.04 -0.88 -0.01 0.00 -2.06 0.00 0.00 37.83 34.84 2c7i s LYS 158 CO 0.04 0.21 -0.23 -1.17 0.10 0.00 0.00 175.35 174.30 2c7i s LEU 159 N -1.18 2.18 -0.02 2.77 2.96 0.27 -2.42 118.68 123.24 2c7i s LEU 159 Ca 0.01 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 2c7i s LEU 159 Cb -0.08 -1.42 -0.00 0.00 0.50 0.00 0.00 46.19 45.19 2c7i s LEU 159 CO 0.01 0.21 -0.10 0.86 -1.32 0.00 0.00 176.35 176.01 2c7i s TRP 160 N 0.04 1.00 0.03 5.38 -0.00 -0.55 -0.97 118.94 123.87 2c7i s TRP 160 Ca -0.09 -0.23 -0.08 0.00 -0.00 0.00 0.00 56.10 55.70 2c7i s TRP 160 Cb -0.15 -0.68 0.00 0.00 -0.00 0.00 0.00 33.47 32.64 2c7i s TRP 160 CO 0.06 -0.06 0.17 -3.38 -0.00 0.00 0.00 176.95 173.73 2c7i s HIS 161 N -0.02 0.08 0.13 5.86 -3.43 -0.51 -0.37 115.29 117.02 2c7i s HIS 161 Ca 0.00 -0.28 -0.05 0.00 -0.80 0.00 0.00 55.06 53.93 2c7i s HIS 161 Cb -0.07 -0.05 -0.02 0.00 -1.43 0.00 0.00 32.58 31.01 2c7i s HIS 161 CO 0.00 -0.39 0.16 0.00 -2.00 0.00 0.00 174.74 172.51 2c7i s ALA 162 N -2.30 0.30 -0.06 -1.38 0.00 -0.21 -1.02 121.76 117.08 2c7i s ALA 162 Ca -0.07 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 2c7i s ALA 162 Cb -0.02 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.85 2c7i s ALA 162 CO -0.03 -0.54 0.02 0.00 0.00 0.00 0.00 175.76 175.21 2c7i s ALA 163 N -3.97 0.50 -0.15 0.00 0.00 -0.69 -1.70 121.76 115.75 2c7i s ALA 163 Ca 0.16 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.06 2c7i s ALA 163 Cb 0.05 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2c7i s ALA 163 CO -0.03 -0.42 0.09 1.41 0.00 0.00 0.00 175.76 176.82 2c7i s MET 164 N 1.91 3.71 -0.57 0.00 1.75 0.73 -2.60 119.30 124.23 2c7i s MET 164 Ca 0.03 -0.26 -0.25 0.00 -1.25 0.00 0.00 55.69 53.96 2c7i s MET 164 Cb -0.12 -3.19 0.04 0.00 2.84 0.00 0.00 34.83 34.39 2c7i s MET 164 CO -0.04 0.50 1.01 -0.51 -0.65 0.00 0.00 175.02 175.34 2c7i s LEU 165 N -0.26 3.93 -0.21 4.11 1.43 0.04 -0.73 118.68 126.99 2c7i s LEU 165 Ca 0.09 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 2c7i s LEU 165 Cb -0.12 -2.88 -0.08 0.00 0.03 0.00 0.00 46.19 43.14 2c7i s LEU 165 CO 0.01 -1.32 -0.32 0.52 0.23 0.00 0.00 176.35 175.47 2c7i n VAL 166 N 6.30 1.43 -2.71 -1.59 0.31 0.05 -0.34 118.33 121.79 2c7i n VAL 166 Ca 0.03 -0.10 -0.10 0.00 -0.01 0.00 0.00 64.34 64.17 2c7i n VAL 166 Cb 0.48 -2.06 0.03 0.00 -0.91 0.00 0.00 33.84 31.38 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 -4.26 0.79 -2.42 3.52 1.44 0.25 -2.62 115.22 111.94 2c7i n HIS 167 Ca -0.32 -2.81 -0.33 0.00 -2.01 0.00 0.00 57.72 52.25 2c7i n HIS 167 Cb 0.67 -0.24 -0.03 0.00 0.12 0.00 0.00 29.99 30.51 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 -2.81 4.32 -0.81 0.61 2.01 -1.22 -4.38 115.64 113.35 2c7i s THR 168 Ca 0.28 1.19 -0.26 0.00 0.31 0.00 0.00 61.69 63.22 2c7i s THR 168 Cb 0.45 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 69.35 2c7i s THR 168 CO 0.02 -0.56 1.52 -0.62 -0.69 0.00 0.00 174.62 174.30 2c7i s ASP 169 N -2.78 5.95 0.56 3.53 -1.08 -1.26 -4.84 116.67 116.75 2c7i s ASP 169 Ca 0.61 -0.60 0.31 0.00 -0.52 0.00 0.00 52.55 52.36 2c7i s ASP 169 Cb -0.11 -2.56 1.63 0.00 -1.46 0.00 0.00 42.92 40.42 2c7i s ASP 169 CO 0.28 -1.97 2.13 -0.07 0.52 0.00 0.00 175.17 176.06 2c7i h LEU 170 N 14.24 0.00 0.14 -1.34 3.38 -2.00 -2.63 115.31 127.11 2c7i h LEU 170 Ca -0.10 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 2c7i h LEU 170 Cb 1.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.83 2c7i h LEU 170 CO 1.30 0.07 -0.83 0.44 0.09 0.00 0.00 178.44 179.51 2c7i h ASP 171 N 0.00 0.48 0.33 -0.43 3.32 -2.00 -2.98 116.42 115.15 2c7i h ASP 171 Ca -0.00 -0.95 -0.05 0.00 0.02 0.00 0.00 57.03 56.05 2c7i h ASP 171 Cb 0.28 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2c7i h ASP 171 CO 0.01 1.40 -0.25 -0.03 -1.72 0.00 0.00 179.24 178.65 2c7i h MET 172 N -0.35 0.00 -0.88 3.56 4.05 -1.97 -2.31 114.93 117.03 2c7i h MET 172 Ca -0.14 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.26 2c7i h MET 172 Cb 1.65 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.41 2c7i h MET 172 CO 0.16 0.25 0.49 1.25 0.23 0.00 0.00 176.91 179.28 2c7i h LEU 173 N 0.00 1.11 0.00 3.39 6.46 -1.45 -2.36 115.31 122.45 2c7i h LEU 173 Ca -0.00 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2c7i h LEU 173 Cb 0.49 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 2c7i h LEU 173 CO 0.03 0.89 -0.02 0.77 -0.62 0.00 0.00 178.44 179.49 2c7i h SER 174 N 1.24 0.00 0.60 1.25 4.64 -1.29 -3.23 113.55 116.75 2c7i h SER 174 Ca 0.31 -0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.35 2c7i h SER 174 Cb 0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2c7i h SER 174 CO -0.05 0.00 -1.27 0.00 -0.87 0.00 0.00 176.83 174.64 2c7i h ALA 175 N 2.31 0.07 0.00 5.18 0.00 -1.03 -3.31 119.26 122.48 2c7i h ALA 175 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 54.91 53.85 2c7i h ALA 175 Cb 0.84 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2c7i h ALA 175 CO 0.00 0.95 -0.87 -0.39 0.00 0.00 0.00 179.25 178.94 2c7i h VAL 176 N 0.08 1.37 0.00 0.00 -1.51 -1.54 -3.44 116.25 111.21 2c7i h VAL 176 Ca -0.15 -2.97 0.00 0.00 -1.23 0.00 0.00 66.70 62.36 2c7i h VAL 176 Cb 1.99 2.67 0.00 0.00 -2.13 0.00 0.00 31.29 33.83 2c7i h VAL 176 CO 0.21 0.78 0.00 0.18 -1.23 0.00 0.00 177.57 177.51 2c7i n LEU 177 N -3.29 0.00 0.00 4.19 4.77 -1.22 -1.22 117.00 120.23 2c7i n LEU 177 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2c7i n LEU 177 Cb 0.87 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2c7i n LEU 177 CO 0.45 -0.03 0.00 -1.84 -1.33 0.00 0.00 177.39 174.64 2c7i n GLU 194 N -1.54 0.00 -0.31 3.23 -0.00 -1.26 -4.63 120.64 116.13 2c7i n GLU 194 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.16 57.23 2c7i n GLU 194 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 31.44 31.55 2c7i n GLU 194 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2c7i n ARG 195 N 0.00 0.98 -4.28 3.44 -4.01 -1.26 -5.00 116.66 106.53 2c7i n ARG 195 Ca 0.00 -2.30 -0.23 0.00 -1.04 0.00 0.00 57.85 54.28 2c7i n ARG 195 Cb 0.00 -1.22 -0.07 0.00 -3.04 0.00 0.00 32.46 28.13 2c7i n ARG 195 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 2c7i s VAL 196 N -2.15 3.52 0.11 8.89 -7.23 -1.26 -0.80 120.40 121.49 2c7i s VAL 196 Ca 0.26 -1.84 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 2c7i s VAL 196 Cb 0.24 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2c7i s VAL 196 CO -0.00 -0.35 0.33 0.00 -0.31 0.00 0.00 175.10 174.77 2c7i s ALA 197 N -2.25 -0.66 0.11 1.32 0.00 -0.54 -4.80 121.76 114.95 2c7i s ALA 197 Ca 0.31 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 2c7i s ALA 197 Cb -0.07 0.63 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 2c7i s ALA 197 CO 0.20 -0.60 0.45 -0.80 0.00 0.00 0.00 175.76 175.01 2c7i s ASN 198 N -2.83 6.69 0.44 0.00 0.02 -1.26 -4.41 114.94 113.58 2c7i s ASN 198 Ca 0.04 0.87 0.20 0.00 -1.02 0.00 0.00 52.86 52.95 2c7i s ASN 198 Cb 0.03 -2.21 1.16 0.00 0.02 0.00 0.00 41.25 40.25 2c7i s ASN 198 CO -0.11 0.14 1.84 0.58 0.02 0.00 0.00 177.10 179.57 2c7i h VAL 199 N 2.79 0.63 0.00 1.60 2.07 -0.73 0.14 116.25 122.74 2c7i h VAL 199 Ca -0.49 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2c7i h VAL 199 Cb 1.19 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2c7i h VAL 199 CO 0.66 0.06 0.00 0.35 0.02 0.00 0.00 177.57 178.67 2c7i n THR 200 N -4.49 0.00 1.20 2.57 -2.24 -1.08 -1.54 114.28 108.71 2c7i n THR 200 Ca 0.20 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.12 2c7i n THR 200 Cb 0.78 -0.40 0.63 0.00 -2.10 0.00 0.00 70.33 69.24 2c7i n THR 200 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2c7i n ASP 201 N -0.90 0.13 -0.01 3.42 8.00 0.50 -4.22 116.55 123.48 2c7i n ASP 201 Ca 0.19 0.04 -0.01 0.00 0.71 0.00 0.00 54.79 55.72 2c7i n ASP 201 Cb 0.09 -0.29 -0.01 0.00 -0.02 0.00 0.00 41.12 40.89 2c7i n ASP 201 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2c7i n PHE 202 N -1.34 0.00 -3.82 1.24 3.72 -0.59 -5.04 117.46 111.63 2c7i n PHE 202 Ca 0.10 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.38 2c7i n PHE 202 Cb 0.30 -0.05 -0.11 0.00 -0.94 0.00 0.00 39.48 38.67 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 -2.03 0.02 -1.04 -4.37 -7.23 -0.74 -5.04 120.40 99.98 2c7i s VAL 203 Ca -0.01 -0.19 -0.20 0.00 -1.81 0.00 0.00 61.98 59.77 2c7i s VAL 203 Cb 0.00 -0.34 0.10 0.00 0.56 0.00 0.00 36.38 36.70 2c7i s VAL 203 CO 0.04 -0.11 1.36 -0.62 -0.31 0.00 0.00 175.10 175.46 2c7i s ASP 204 N -0.34 6.65 0.14 4.85 2.15 -1.26 -4.01 116.67 124.86 2c7i s ASP 204 Ca -0.04 -1.97 0.07 0.00 0.43 0.00 0.00 52.55 51.04 2c7i s ASP 204 Cb -0.03 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 2c7i s ASP 204 CO 0.01 -1.21 -0.15 0.68 -0.17 0.00 0.00 175.17 174.32 2c7i s VAL 205 N 3.64 1.53 0.46 1.11 -7.23 -1.26 -5.14 120.40 113.51 2c7i s VAL 205 Ca 0.42 -1.84 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 2c7i s VAL 205 Cb -0.02 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 2c7i s VAL 205 CO -0.07 -0.40 0.69 -0.94 -0.31 0.00 0.00 175.10 174.08 2c7i s SER 206 N -2.62 5.90 0.25 4.85 1.04 -1.26 -4.90 113.70 116.96 2c7i s SER 206 Ca 0.13 0.42 -0.06 0.00 0.48 0.00 0.00 55.95 56.92 2c7i s SER 206 Cb -0.05 -1.68 0.27 0.00 0.10 0.00 0.00 66.02 64.66 2c7i s SER 206 CO 0.04 -0.69 1.92 0.40 0.98 0.00 0.00 173.24 175.90 2c7i h ILE 207 N 0.35 1.26 -0.94 -1.02 2.04 -1.98 -1.11 117.51 116.11 2c7i h ILE 207 Ca -0.47 -0.50 0.11 0.00 1.00 0.00 0.00 64.86 65.00 2c7i h ILE 207 Cb 1.24 -0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 2c7i h ILE 207 CO 0.59 0.26 0.60 0.44 0.00 0.00 0.00 178.15 180.03 2c7i h ASP 208 N 1.33 0.85 -0.26 1.72 3.32 -1.98 0.20 116.42 121.59 2c7i h ASP 208 Ca 0.35 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 2c7i h ASP 208 Cb -0.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2c7i h ASP 208 CO -0.07 0.47 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.42 2c7i h GLU 209 N 0.92 0.57 0.02 3.56 5.08 -1.66 -0.41 114.58 122.66 2c7i h GLU 209 Ca 0.45 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2c7i h GLU 209 Cb 0.47 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2c7i h GLU 209 CO -0.21 0.84 -0.16 0.28 -1.00 0.00 0.00 179.01 178.77 2c7i h VAL 210 N 0.29 0.62 -0.50 3.13 2.07 -0.89 -0.06 116.25 120.91 2c7i h VAL 210 Ca 0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.67 2c7i h VAL 210 Cb 0.70 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 2c7i h VAL 210 CO 0.05 0.00 -0.03 -0.09 0.02 0.00 0.00 177.57 177.51 2c7i h ARG 211 N -0.27 0.08 -0.59 1.57 2.43 -0.53 -0.05 114.38 117.03 2c7i h ARG 211 Ca 0.04 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 2c7i h ARG 211 Cb 0.32 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2c7i h ARG 211 CO -0.14 0.05 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.46 2c7i h ASN 212 N 0.08 1.01 -0.47 -3.80 2.35 -0.78 0.02 115.58 113.99 2c7i h ASN 212 Ca 0.25 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2c7i h ASN 212 Cb 0.38 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2c7i h ASN 212 CO -0.45 1.07 0.26 0.00 -1.65 0.00 0.00 177.43 176.66 2c7i h ALA 213 N 1.03 0.60 -0.77 -0.83 0.00 -0.62 -1.58 119.26 117.09 2c7i h ALA 213 Ca 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2c7i h ALA 213 Cb 0.56 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2c7i h ALA 213 CO 0.03 0.12 0.31 -0.07 0.00 0.00 0.00 179.25 179.64 2c7i h LEU 214 N 0.62 1.06 -0.21 0.00 3.38 -0.66 0.18 115.31 119.69 2c7i h LEU 214 Ca 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2c7i h LEU 214 Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2c7i h LEU 214 CO -0.03 0.94 0.11 0.40 0.09 0.00 0.00 178.44 179.96 2c7i h ILE 215 N 1.11 1.11 -0.25 1.22 2.04 -0.71 0.12 117.51 122.14 2c7i h ILE 215 Ca 0.26 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2c7i h ILE 215 Cb 0.21 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2c7i h ILE 215 CO -0.02 0.10 0.05 -0.09 0.00 0.00 0.00 178.15 178.19 2c7i h ARG 216 N 0.23 0.41 -0.59 2.37 2.43 -1.05 -0.68 114.38 117.50 2c7i h ARG 216 Ca 0.07 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 2c7i h ARG 216 Cb 0.06 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2c7i h ARG 216 CO -0.01 0.52 -0.00 0.78 -1.51 0.00 0.00 179.97 179.75 2c7i h GLY 217 N 0.23 1.11 1.65 2.80 0.00 -0.54 0.18 103.07 108.49 2c7i h GLY 217 Ca 0.08 -0.80 -0.13 0.00 0.00 0.00 0.00 47.33 46.48 2c7i h GLY 217 CO 0.00 0.74 -0.47 0.74 0.00 0.00 0.00 176.54 177.55 2c7i h PHE 218 N 0.94 0.46 -0.42 5.60 -1.00 -0.75 -0.70 116.94 121.07 2c7i h PHE 218 Ca 0.17 -0.14 -0.12 0.00 2.81 0.00 0.00 57.97 60.68 2c7i h PHE 218 Cb 0.55 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 2c7i h PHE 218 CO 0.04 0.78 -0.21 0.77 -1.61 0.00 0.00 178.31 178.08 2c7i h SER 219 N 0.31 0.91 -0.32 2.17 0.02 -0.57 -0.56 113.55 115.51 2c7i h SER 219 Ca 0.02 -0.41 -0.10 0.00 -0.84 0.00 0.00 61.79 60.46 2c7i h SER 219 Cb 0.94 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2c7i h SER 219 CO 0.08 1.12 -0.19 -0.33 -1.14 0.00 0.00 176.83 176.36 2c7i h GLU 220 N 0.70 0.69 0.07 3.45 5.08 -0.49 -0.30 114.58 123.79 2c7i h GLU 220 Ca 0.09 -0.32 -0.19 0.00 -1.00 0.00 0.00 59.36 57.95 2c7i h GLU 220 Cb 0.78 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.04 2c7i h GLU 220 CO 0.06 0.92 -0.77 1.15 -1.00 0.00 0.00 179.01 179.37 2c7i h THR 221 N 0.45 1.44 0.00 1.13 2.02 -1.14 -3.31 112.91 113.50 2c7i h THR 221 Ca 0.07 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.94 2c7i h THR 221 Cb 0.74 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 2c7i h THR 221 CO 0.05 0.67 -0.50 0.18 0.37 0.00 0.00 175.52 176.29 2c7i n LEU 222 N -4.12 0.59 -3.00 2.58 4.77 -0.22 -4.96 117.00 112.64 2c7i n LEU 222 Ca -0.12 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 55.90 2c7i n LEU 222 Cb 0.77 -0.24 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 2c7i n LEU 222 CO 0.49 -0.00 0.13 1.41 -1.33 0.00 0.00 177.39 178.09 2c7i n HIS 223 N -1.89 -2.01 -4.87 -1.77 8.25 -0.14 -4.98 115.22 107.81 2c7i n HIS 223 Ca 0.04 0.79 -0.25 0.00 -0.26 0.00 0.00 57.72 58.04 2c7i n HIS 223 Cb 0.40 -4.43 -0.15 0.00 1.12 0.00 0.00 29.99 26.92 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 -3.28 1.42 -0.49 1.59 1.01 -1.09 -2.79 121.20 117.57 2c7i s ILE 224 Ca 0.19 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 2c7i s ILE 224 Cb -0.08 -1.19 0.12 0.00 0.01 0.00 0.00 42.46 41.32 2c7i s ILE 224 CO 0.59 0.40 0.39 -1.81 0.00 0.00 0.00 174.94 174.52 2c7i s ASP 225 N -0.36 5.87 -0.48 3.58 1.01 -0.08 -4.23 116.67 121.97 2c7i s ASP 225 Ca 0.05 -1.86 -0.29 0.00 0.71 0.00 0.00 52.55 51.17 2c7i s ASP 225 Cb -0.08 -2.08 0.03 0.00 1.01 0.00 0.00 42.92 41.81 2c7i s ASP 225 CO -0.00 -0.74 1.13 -0.36 0.21 0.00 0.00 175.17 175.41 2c7i s PHE 226 N 1.44 2.81 -0.23 4.23 0.08 -1.26 -0.80 117.98 124.24 2c7i s PHE 226 Ca 0.05 0.68 -0.06 0.00 0.12 0.00 0.00 56.93 57.72 2c7i s PHE 226 Cb -0.27 -4.43 -0.02 0.00 -0.57 0.00 0.00 43.02 37.72 2c7i s PHE 226 CO 0.01 -1.29 0.03 1.03 -0.10 0.00 0.00 175.22 174.89 2c7i s ARG 227 N 4.46 3.56 0.07 0.44 1.81 -0.46 -4.53 118.95 124.30 2c7i s ARG 227 Ca 0.47 -0.53 -0.36 0.00 -1.72 0.00 0.00 55.73 53.59 2c7i s ARG 227 Cb -0.07 -3.19 -0.19 0.00 -0.45 0.00 0.00 34.95 31.05 2c7i s ARG 227 CO 0.31 -0.17 0.91 -1.91 -0.68 0.00 0.00 175.30 173.77 2c7i n GLU 228 N 4.80 0.07 -4.09 3.54 2.13 -1.26 -2.88 120.64 122.96 2c7i n GLU 228 Ca -0.17 0.03 -0.10 0.00 0.66 0.00 0.00 57.16 57.57 2c7i n GLU 228 Cb 0.51 -1.38 -0.08 0.00 0.27 0.00 0.00 31.44 30.76 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 -0.29 0.09 0.24 4.31 2.15 -0.00 -4.76 116.67 118.41 2c7i s ASP 229 Ca 0.82 -1.14 0.08 0.00 0.43 0.00 0.00 52.55 52.74 2c7i s ASP 229 Cb -1.14 0.43 -0.04 0.00 -0.30 0.00 0.00 42.92 41.87 2c7i s ASP 229 CO 0.56 -0.91 0.10 0.42 -0.17 0.00 0.00 175.17 175.17 2c7i s THR 230 N -4.07 4.04 0.60 1.71 -4.23 -1.26 -4.49 115.64 107.94 2c7i s THR 230 Ca 0.28 -1.56 -0.20 0.00 -1.18 0.00 0.00 61.69 59.04 2c7i s THR 230 Cb 0.04 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 2c7i s THR 230 CO 0.07 -0.32 1.31 -0.51 -0.54 0.00 0.00 174.62 174.64 2c7i s ILE 231 N -2.13 2.11 0.70 2.99 2.07 -1.26 -5.02 121.20 120.66 2c7i s ILE 231 Ca 0.32 0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.55 2c7i s ILE 231 Cb -0.08 -3.03 0.05 0.00 0.13 0.00 0.00 42.46 39.53 2c7i s ILE 231 CO 0.22 -0.01 1.03 0.42 -1.91 0.00 0.00 174.94 174.70 2c7i s THR 232 N -1.38 2.67 0.35 4.00 -4.23 -1.26 -4.89 115.64 110.90 2c7i s THR 232 Ca 0.78 -0.07 0.10 0.00 -1.18 0.00 0.00 61.69 61.32 2c7i s THR 232 Cb -0.38 -3.16 0.08 0.00 1.34 0.00 0.00 72.50 70.39 2c7i s THR 232 CO 0.42 -0.18 1.79 -0.33 -0.54 0.00 0.00 174.62 175.79 2c7i h GLU 233 N -0.60 0.12 -0.38 3.99 5.08 -1.98 -0.04 114.58 120.77 2c7i h GLU 233 Ca -0.45 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 57.70 2c7i h GLU 233 Cb 1.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2c7i h GLU 233 CO 0.62 0.46 -0.39 0.87 -1.00 0.00 0.00 179.01 179.56 2c7i h LYS 234 N 0.11 0.94 -0.28 2.33 1.57 -1.99 0.00 116.57 119.25 2c7i h LYS 234 Ca 0.01 -0.50 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 2c7i h LYS 234 Cb 0.67 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2c7i h LYS 234 CO 0.05 1.15 -0.12 0.93 -0.57 0.00 0.00 179.45 180.89 2c7i h GLU 235 N 0.76 0.58 -0.32 3.15 5.08 -1.81 -1.97 114.58 120.05 2c7i h GLU 235 Ca 0.06 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2c7i h GLU 235 Cb 0.99 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2c7i h GLU 235 CO 0.10 0.81 -0.05 1.49 -1.00 0.00 0.00 179.01 180.36 2c7i h GLU 236 N 0.32 0.59 -0.61 2.33 4.57 -1.03 -0.95 114.58 119.81 2c7i h GLU 236 Ca 0.06 -0.21 -0.09 0.00 -1.18 0.00 0.00 59.36 57.94 2c7i h GLU 236 Cb 0.63 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2c7i h GLU 236 CO 0.04 0.76 0.02 0.66 -1.18 0.00 0.00 179.01 179.30 2c7i h SER 237 N 0.37 1.03 -0.01 1.04 4.64 -1.00 -1.19 113.55 118.42 2c7i h SER 237 Ca 0.08 -0.28 0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2c7i h SER 237 Cb 0.52 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2c7i h SER 237 CO 0.03 1.07 -0.07 0.25 -0.87 0.00 0.00 176.83 177.24 2c7i h LEU 238 N 0.97 -0.20 -0.60 5.97 5.85 -1.29 -1.20 115.31 124.81 2c7i h LEU 238 Ca 0.18 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.03 2c7i h LEU 238 Cb 0.53 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 2c7i h LEU 238 CO 0.03 -0.10 0.16 0.00 -0.34 0.00 0.00 178.44 178.19 2c7i h ALA 239 N 0.88 0.73 -0.63 1.25 0.00 -0.96 0.27 119.26 120.81 2c7i h ALA 239 Ca 0.03 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2c7i h ALA 239 Cb 0.16 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2c7i h ALA 239 CO -0.08 -0.27 0.21 0.07 0.00 0.00 0.00 179.25 179.19 2c7i h ARG 240 N 0.31 0.97 -0.17 0.00 -0.00 -1.07 0.36 114.38 114.77 2c7i h ARG 240 Ca 0.31 -0.20 -0.01 0.00 -0.00 0.00 0.00 59.98 60.08 2c7i h ARG 240 Cb 0.44 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 30.25 2c7i h ARG 240 CO -0.36 0.85 0.05 1.49 -0.00 0.00 0.00 179.97 181.99 2c7i h GLU 241 N 0.90 0.27 -0.76 0.08 4.81 -0.55 0.14 114.58 119.48 2c7i h GLU 241 Ca 0.21 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2c7i h GLU 241 Cb 0.27 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2c7i h GLU 241 CO -0.01 0.39 0.39 -0.07 -0.73 0.00 0.00 179.01 178.98 2c7i h LEU 242 N 0.10 0.96 0.39 1.64 3.38 -0.35 -1.12 115.31 120.31 2c7i h LEU 242 Ca 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2c7i h LEU 242 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2c7i h LEU 242 CO -0.00 0.79 -0.19 0.15 0.09 0.00 0.00 178.44 179.29 2c7i h PHE 243 N 1.07 -0.48 -0.96 1.13 3.57 -0.75 0.93 116.94 121.45 2c7i h PHE 243 Ca 0.27 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.78 2c7i h PHE 243 Cb 0.07 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 2c7i h PHE 243 CO 0.01 -0.19 0.63 -0.44 -2.23 0.00 0.00 178.31 176.09 2c7i h ASP 244 N -0.73 1.06 0.52 0.41 3.32 -0.61 -0.62 116.42 119.77 2c7i h ASP 244 Ca -0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2c7i h ASP 244 Cb 0.51 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2c7i h ASP 244 CO 0.09 0.74 -1.31 0.29 -1.72 0.00 0.00 179.24 177.33 2c7i n LYS 245 N -4.42 0.52 0.01 3.56 4.01 -0.43 -4.76 118.16 116.65 2c7i n LYS 245 Ca 0.12 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2c7i n LYS 245 Cb 0.07 -1.66 0.00 0.00 -0.51 0.00 0.00 35.03 32.93 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 -2.33 0.00 0.28 1.97 4.81 0.18 -4.86 118.16 118.21 2c7i n LYS 246 Ca -0.01 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 2c7i n LYS 246 Cb 0.52 -0.01 0.80 0.00 0.02 0.00 0.00 35.03 36.36 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 -1.15 -0.89 116.97 120.62 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 0.07 0.00 -1.13 -1.05 0.00 0.00 178.16 176.05 2c7i n SER 248 N -3.79 0.00 -4.90 3.88 3.41 -0.25 -4.81 113.62 107.16 2c7i n SER 248 Ca -0.02 0.18 -0.31 0.00 -0.26 0.00 0.00 58.87 58.46 2c7i n SER 248 Cb 0.17 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.78 5.17 0.25 6.66 -4.23 -0.34 -4.98 115.64 115.39 2c7i s THR 249 Ca 0.21 -0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 2c7i s THR 249 Cb 0.19 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.36 2c7i s THR 249 CO 0.48 -0.02 1.59 -0.33 -0.54 0.00 0.00 174.62 175.80 2c7i h GLU 250 N 2.61 0.27 -0.19 3.99 4.39 -1.90 -2.48 114.58 121.27 2c7i h GLU 250 Ca -0.46 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.10 2c7i h GLU 250 Cb 1.17 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 2c7i h GLU 250 CO 0.71 0.74 -0.00 0.93 -1.16 0.00 0.00 179.01 180.24 2c7i h GLU 251 N 0.21 0.06 0.29 2.33 3.07 -1.92 0.78 114.58 119.40 2c7i h GLU 251 Ca 0.00 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2c7i h GLU 251 Cb 1.02 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 2c7i h GLU 251 CO 0.09 0.04 -0.14 2.35 -1.40 0.00 0.00 179.01 179.94 2c7i h TRP 252 N 0.06 -0.36 -0.14 4.33 2.91 -1.75 0.28 115.95 121.28 2c7i h TRP 252 Ca 0.09 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.06 2c7i h TRP 252 Cb 0.11 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 28.88 2c7i h TRP 252 CO -0.17 -0.20 -0.07 -0.91 -1.03 0.00 0.00 178.44 176.06 2c7i h ASN 253 N -0.43 0.30 0.07 2.65 2.35 -1.19 -3.29 115.58 116.03 2c7i h ASN 253 Ca -0.04 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2c7i h ASN 253 Cb 0.33 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2c7i h ASN 253 CO 0.07 0.65 -1.80 0.80 -1.65 0.00 0.00 177.43 175.49 2c7i n MET 254 N -4.66 0.57 -1.11 0.81 1.56 0.25 -4.49 117.12 110.05 2c7i n MET 254 Ca -0.06 -0.15 0.00 0.00 -0.27 0.00 0.00 57.70 57.22 2c7i n MET 254 Cb 0.29 -1.54 0.00 0.00 2.15 0.00 0.00 33.22 34.12 2c7i n MET 254 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2c7i n GLY 255 N 1.29 1.10 0.00 -5.12 0.00 0.05 -4.70 105.19 97.80 2c7i n GLY 255 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2c7i n GLY 255 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79