#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c8m s GLU 2 N 0.00 3.69 0.24 2.12 2.02 -1.26 0.86 118.70 126.37 2c8m s GLU 2 Ca 0.00 -0.47 0.11 0.00 0.02 0.00 0.00 54.97 54.64 2c8m s GLU 2 Cb 0.00 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.91 2c8m s GLU 2 CO 0.00 -0.09 -0.17 0.20 0.02 0.00 0.00 175.26 175.22 2c8m s GLY 3 N 1.34 1.79 -0.27 -1.39 0.00 0.16 -4.10 107.32 104.85 2c8m s GLY 3 Ca 0.05 -1.73 -0.12 0.00 0.00 0.00 0.00 44.72 42.92 2c8m s GLY 3 CO 0.03 -1.80 0.21 0.50 0.00 0.00 0.00 173.10 172.05 2c8m s ARG 4 N -3.21 3.99 -0.67 2.90 0.52 0.22 -1.61 118.95 121.08 2c8m s ARG 4 Ca 0.27 -0.25 -0.22 0.00 -0.52 0.00 0.00 55.73 55.01 2c8m s ARG 4 Cb -0.06 -3.63 0.08 0.00 0.52 0.00 0.00 34.95 31.85 2c8m s ARG 4 CO 0.14 -0.13 0.96 -1.17 0.02 0.00 0.00 175.30 175.11 2c8m s LEU 5 N 1.63 4.48 -0.37 2.53 2.96 -0.43 -0.97 118.68 128.51 2c8m s LEU 5 Ca 0.08 -1.07 -0.29 0.00 -0.22 0.00 0.00 54.13 52.63 2c8m s LEU 5 Cb -0.15 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.14 2c8m s LEU 5 CO 0.09 -1.40 1.19 -0.76 -1.32 0.00 0.00 176.35 174.15 2c8m s LEU 6 N 3.91 3.80 -0.58 -0.68 1.43 -0.41 -1.13 118.68 125.02 2c8m s LEU 6 Ca 0.22 0.91 -0.28 0.00 -1.03 0.00 0.00 54.13 53.95 2c8m s LEU 6 Cb -0.17 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.53 2c8m s LEU 6 CO 0.09 -1.10 1.37 -1.48 0.23 0.00 0.00 176.35 175.45 2c8m s LEU 7 N 4.28 3.39 -0.30 1.79 0.05 -1.15 -3.79 118.68 122.95 2c8m s LEU 7 Ca 0.51 0.19 -0.09 0.00 0.05 0.00 0.00 54.13 54.78 2c8m s LEU 7 Cb -0.12 -3.02 0.16 0.00 -2.05 0.00 0.00 46.19 41.16 2c8m s LEU 7 CO 0.24 -1.69 0.79 -1.48 -0.55 0.00 0.00 176.35 173.66 2c8m s LEU 8 N 5.87 -0.95 -0.27 1.48 2.34 -1.26 -4.80 118.68 121.09 2c8m s LEU 8 Ca 0.49 0.98 -0.25 0.00 0.06 0.00 0.00 54.13 55.41 2c8m s LEU 8 Cb -0.10 1.95 0.07 0.00 -0.56 0.00 0.00 46.19 47.55 2c8m s LEU 8 CO 0.24 -0.18 0.72 -1.83 -1.06 0.00 0.00 176.35 174.24 2c8m s GLU 9 N 2.77 0.84 -0.53 1.48 -1.05 -1.26 -4.55 118.70 116.40 2c8m s GLU 9 Ca 0.03 1.00 0.07 0.00 -0.15 0.00 0.00 54.97 55.92 2c8m s GLU 9 Cb -0.11 0.41 0.27 0.00 -0.44 0.00 0.00 34.13 34.26 2c8m s GLU 9 CO -0.18 -0.10 0.70 0.25 0.95 0.00 0.00 175.26 176.88 2c8m n THR 10 N 2.69 1.29 0.13 1.83 -2.24 -1.26 -4.97 114.28 111.75 2c8m n THR 10 Ca -0.14 -4.84 0.19 0.00 -2.27 0.00 0.00 64.05 57.00 2c8m n THR 10 Cb 0.55 -1.82 0.77 0.00 -2.10 0.00 0.00 70.33 67.73 2c8m n THR 10 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2c8m h PRO 11 N 3.87 0.00 -0.01 -0.78 0.11 -1.96 0.94 132.00 134.16 2c8m h PRO 11 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2c8m h PRO 11 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2c8m h PRO 11 CO 0.69 0.00 -0.01 0.41 -0.21 0.00 0.00 178.00 178.88 2c8m n GLY 12 N -1.46 -0.13 2.42 -0.55 0.00 -1.26 -0.95 105.19 103.26 2c8m n GLY 12 Ca 0.05 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 2c8m n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2c8m s ASN 13 N -2.02 1.86 0.24 1.61 3.84 0.32 -5.00 114.94 115.80 2c8m s ASN 13 Ca 0.39 -2.85 -0.06 0.00 0.21 0.00 0.00 52.86 50.55 2c8m s ASN 13 Cb 0.21 -0.44 0.28 0.00 -0.55 0.00 0.00 41.25 40.75 2c8m s ASN 13 CO 0.34 -0.21 1.90 0.74 -2.79 0.00 0.00 177.10 177.09 2c8m h THR 14 N 4.73 1.18 -0.20 -5.21 2.02 -1.78 -2.04 112.91 111.61 2c8m h THR 14 Ca 0.21 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 2c8m h THR 14 Cb 0.92 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2c8m h THR 14 CO 0.35 0.22 -0.14 0.03 0.37 0.00 0.00 175.52 176.34 2c8m h ARG 15 N 1.20 0.32 -0.23 6.66 3.08 -1.92 -1.50 114.38 121.99 2c8m h ARG 15 Ca 0.36 -0.08 -0.17 0.00 0.07 0.00 0.00 59.98 60.16 2c8m h ARG 15 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2c8m h ARG 15 CO -0.11 0.47 -0.50 1.98 -1.07 0.00 0.00 179.97 180.74 2c8m h MET 16 N 0.30 0.74 -0.62 0.04 4.05 -1.74 -2.35 114.93 115.35 2c8m h MET 16 Ca 0.06 -0.50 0.07 0.00 -0.28 0.00 0.00 59.70 59.05 2c8m h MET 16 Cb 0.44 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.25 2c8m h MET 16 CO 0.03 1.12 0.30 1.03 0.23 0.00 0.00 176.91 179.62 2c8m h SER 17 N 0.47 0.41 0.75 1.39 0.87 -0.87 -0.64 113.55 115.93 2c8m h SER 17 Ca 0.00 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2c8m h SER 17 Cb 1.11 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2c8m h SER 17 CO 0.11 0.26 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.38 2c8m h LEU 18 N 0.55 0.00 -0.22 2.23 3.38 -1.24 -2.68 115.31 117.34 2c8m h LEU 18 Ca 0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 2c8m h LEU 18 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2c8m h LEU 18 CO -0.22 0.21 -0.18 0.00 0.09 0.00 0.00 178.44 178.34 2c8m h ALA 19 N 1.79 0.32 0.00 1.53 0.00 -0.61 -2.68 119.26 119.60 2c8m h ALA 19 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2c8m h ALA 19 Cb 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2c8m h ALA 19 CO 0.03 0.24 0.12 1.88 0.00 0.00 0.00 179.25 181.52 2c8m h TYR 20 N 0.20 0.00 0.00 0.00 0.05 -0.82 -0.84 116.97 115.55 2c8m h TYR 20 Ca 0.04 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.72 2c8m h TYR 20 Cb 0.72 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 2c8m h TYR 20 CO 0.07 0.00 -1.49 -3.47 -1.05 0.00 0.00 178.16 172.23 2c8m n ASP 21 N -2.39 3.10 -0.08 3.88 2.03 -1.13 -1.82 116.55 120.13 2c8m n ASP 21 Ca -0.02 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.20 2c8m n ASP 21 Cb 0.16 0.88 -0.03 0.00 -0.72 0.00 0.00 41.12 41.41 2c8m n ASP 21 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2c8m h GLU 22 N 0.00 0.37 0.36 -0.67 4.81 -1.38 -3.32 114.58 114.76 2c8m h GLU 22 Ca -0.15 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 2c8m h GLU 22 Cb 1.18 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2c8m h GLU 22 CO 0.01 0.34 -0.17 0.00 -0.73 0.00 0.00 179.01 178.45 2c8m h ALA 23 N 1.02 -0.49 0.00 2.92 0.00 -1.17 0.49 119.26 122.03 2c8m h ALA 23 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2c8m h ALA 23 Cb 0.07 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2c8m h ALA 23 CO -0.01 -0.77 -0.02 0.82 0.00 0.00 0.00 179.25 179.27 2c8m h ILE 24 N -0.51 0.81 0.08 0.00 2.04 -1.55 -0.47 117.51 117.91 2c8m h ILE 24 Ca -0.05 -0.09 -0.31 0.00 1.00 0.00 0.00 64.86 65.41 2c8m h ILE 24 Cb 0.38 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2c8m h ILE 24 CO 0.08 0.02 -1.66 0.22 0.00 0.00 0.00 178.15 176.82 2c8m h TYR 25 N 0.00 0.30 0.00 1.37 3.20 -1.46 -3.17 116.97 117.21 2c8m h TYR 25 Ca -0.00 -0.22 -0.12 0.00 3.14 0.00 0.00 58.73 61.53 2c8m h TYR 25 Cb 0.05 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2c8m h TYR 25 CO 0.00 1.34 -0.77 -0.09 -1.64 0.00 0.00 178.16 177.00 2c8m h ARG 26 N 0.04 0.00 0.00 1.82 2.43 0.49 -3.23 114.38 115.94 2c8m h ARG 26 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2c8m h ARG 26 Cb 2.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 2c8m h ARG 26 CO 0.12 0.45 -0.81 -1.13 -1.51 0.00 0.00 179.97 177.09 2c8m n SER 27 N -3.13 0.69 -4.73 -3.80 3.41 -0.23 -4.94 113.62 100.89 2c8m n SER 27 Ca -0.01 -0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 57.70 2c8m n SER 27 Cb 0.76 0.65 -0.00 0.00 -0.26 0.00 0.00 64.21 65.36 2c8m n SER 27 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2c8m n PHE 28 N -1.63 2.53 -5.13 7.33 7.35 -1.20 -5.02 117.46 121.70 2c8m n PHE 28 Ca 0.04 0.50 -0.32 0.00 -0.76 0.00 0.00 57.45 56.91 2c8m n PHE 28 Cb 0.36 -2.45 -0.16 0.00 0.35 0.00 0.00 39.48 37.58 2c8m n PHE 28 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2c8m s GLN 29 N -2.02 2.79 -0.44 -4.13 -2.07 -1.26 -4.96 119.66 107.56 2c8m s GLN 29 Ca 0.56 -0.84 -0.44 0.00 -1.82 0.00 0.00 55.36 52.81 2c8m s GLN 29 Cb -0.52 -2.29 -0.18 0.00 -1.09 0.00 0.00 33.01 28.92 2c8m s GLN 29 CO 0.62 0.34 1.77 0.98 -1.32 0.00 0.00 175.29 177.68 2c8m n TYR 30 N 3.09 1.71 -0.13 9.60 9.36 -1.26 -0.16 117.16 139.37 2c8m n TYR 30 Ca -0.18 0.89 0.00 0.00 3.32 0.00 0.00 57.90 61.93 2c8m n TYR 30 Cb 0.52 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.92 2c8m n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2c8m n GLY 31 N 4.85 0.86 3.77 2.98 0.00 -1.26 -5.07 105.19 111.32 2c8m n GLY 31 Ca 0.35 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 2c8m n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c8m s ASP 32 N -2.19 4.50 0.13 1.61 1.11 0.77 -4.98 116.67 117.61 2c8m s ASP 32 Ca 0.00 1.82 -0.32 0.00 0.18 0.00 0.00 52.55 54.23 2c8m s ASP 32 Cb 0.00 -2.52 -0.11 0.00 1.07 0.00 0.00 42.92 41.36 2c8m s ASP 32 CO 0.00 -2.04 1.79 2.29 1.18 0.00 0.00 175.17 178.39 2c8m n LYS 33 N -3.53 2.68 -1.60 8.23 0.00 -1.26 -4.66 118.16 118.02 2c8m n LYS 33 Ca 0.09 0.97 -0.41 0.00 -0.00 0.00 0.00 58.31 58.96 2c8m n LYS 33 Cb 0.53 -2.84 0.01 0.00 -0.00 0.00 0.00 35.03 32.73 2c8m n LYS 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2c8m n PRO 34 N 5.14 1.26 -4.94 -1.58 -0.04 -1.26 -4.62 135.00 128.96 2c8m n PRO 34 Ca 0.18 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.77 2c8m n PRO 34 Cb 0.35 -2.00 -0.14 0.00 -0.04 0.00 0.00 33.50 31.68 2c8m n PRO 34 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2c8m s ILE 35 N -1.30 2.89 -0.12 0.52 1.01 -0.50 -0.61 121.20 123.08 2c8m s ILE 35 Ca 0.64 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 2c8m s ILE 35 Cb -0.56 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 39.81 2c8m s ILE 35 CO 0.56 0.58 -0.05 -0.22 0.00 0.00 0.00 174.94 175.81 2c8m s LEU 36 N -0.49 1.21 -0.09 2.97 2.96 -0.14 -1.65 118.68 123.45 2c8m s LEU 36 Ca 0.06 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2c8m s LEU 36 Cb -0.12 -0.79 0.01 0.00 0.50 0.00 0.00 46.19 45.79 2c8m s LEU 36 CO 0.02 -0.15 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.12 2c8m s ARG 37 N 1.73 2.28 -0.04 1.98 3.52 -0.45 -1.29 118.95 126.68 2c8m s ARG 37 Ca 0.04 -0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 2c8m s ARG 37 Cb -0.13 -1.85 -0.04 0.00 -1.56 0.00 0.00 34.95 31.37 2c8m s ARG 37 CO -0.08 0.03 0.03 -0.06 -0.81 0.00 0.00 175.30 174.41 2c8m s PHE 38 N 0.71 3.19 0.03 5.12 0.08 -1.25 -1.15 117.98 124.71 2c8m s PHE 38 Ca -0.12 0.18 -0.28 0.00 0.12 0.00 0.00 56.93 56.83 2c8m s PHE 38 Cb -0.16 -1.75 0.07 0.00 -0.57 0.00 0.00 43.02 40.61 2c8m s PHE 38 CO 0.03 0.50 0.65 1.52 -0.10 0.00 0.00 175.22 177.83 2c8m s TYR 39 N -1.04 -0.61 0.16 0.36 -0.85 -0.24 -4.37 117.35 110.77 2c8m s TYR 39 Ca 0.18 0.82 0.08 0.00 -0.52 0.00 0.00 57.07 57.63 2c8m s TYR 39 Cb -0.12 0.47 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 2c8m s TYR 39 CO 0.08 -0.70 -0.16 1.03 -1.52 0.00 0.00 175.55 174.28 2c8m s ARG 40 N -2.15 1.22 0.01 -3.49 0.52 -1.26 -1.21 118.95 112.59 2c8m s ARG 40 Ca -0.06 -1.41 0.06 0.00 -0.52 0.00 0.00 55.73 53.80 2c8m s ARG 40 Cb -0.00 -1.16 -0.02 0.00 0.52 0.00 0.00 34.95 34.29 2c8m s ARG 40 CO 0.01 0.22 -0.19 -1.01 0.02 0.00 0.00 175.30 174.35 2c8m s HIS 41 N -2.31 1.72 0.39 -0.53 3.76 -1.26 -3.64 115.29 113.42 2c8m s HIS 41 Ca 0.16 -0.34 -0.07 0.00 -0.15 0.00 0.00 55.06 54.66 2c8m s HIS 41 Cb -0.04 -1.07 0.10 0.00 1.11 0.00 0.00 32.58 32.67 2c8m s HIS 41 CO 0.06 0.02 0.30 -3.47 -0.85 0.00 0.00 174.74 170.80 2c8m n ASP 42 N 2.30 -1.78 -4.71 1.40 -0.08 -0.12 -3.02 116.55 110.53 2c8m n ASP 42 Ca -0.16 -0.55 -0.58 0.00 -1.51 0.00 0.00 54.79 51.99 2c8m n ASP 42 Cb 0.53 -0.30 -0.07 0.00 2.34 0.00 0.00 41.12 43.62 2c8m n ASP 42 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2c8m n ARG 43 N -2.71 1.06 -3.54 -0.67 1.74 -1.24 -4.39 116.66 106.91 2c8m n ARG 43 Ca 0.04 0.39 -0.16 0.00 -0.77 0.00 0.00 57.85 57.35 2c8m n ARG 43 Cb 0.18 -2.06 -0.06 0.00 -1.02 0.00 0.00 32.46 29.50 2c8m n ARG 43 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2c8m s SER 44 N 3.48 -0.62 -0.20 0.55 0.01 -0.10 -2.59 113.70 114.22 2c8m s SER 44 Ca 0.99 0.72 -0.06 0.00 1.31 0.00 0.00 55.95 58.91 2c8m s SER 44 Cb -1.10 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 2c8m s SER 44 CO 0.67 -0.54 0.03 -0.69 0.41 0.00 0.00 173.24 173.12 2c8m s VAL 45 N -1.05 4.22 -0.27 3.43 1.01 0.53 0.10 120.40 128.37 2c8m s VAL 45 Ca -0.09 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 2c8m s VAL 45 Cb -0.00 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2c8m s VAL 45 CO 0.08 0.42 0.09 -0.63 0.00 0.00 0.00 175.10 175.06 2c8m s ILE 46 N 0.93 4.33 0.15 2.22 -1.09 0.15 -1.13 121.20 126.76 2c8m s ILE 46 Ca 0.02 -0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 2c8m s ILE 46 Cb -0.14 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2c8m s ILE 46 CO 0.02 0.25 0.18 0.27 -1.23 0.00 0.00 174.94 174.43 2c8m s ILE 47 N 1.60 4.78 0.84 2.92 -4.36 0.17 -1.25 121.20 125.90 2c8m s ILE 47 Ca 0.06 -0.91 -0.11 0.00 -0.26 0.00 0.00 60.65 59.43 2c8m s ILE 47 Cb -0.16 -3.43 0.10 0.00 1.25 0.00 0.00 42.46 40.22 2c8m s ILE 47 CO 0.04 -0.07 1.09 -0.83 0.24 0.00 0.00 174.94 175.41 2c8m s GLY 48 N -3.05 1.65 0.37 6.27 0.00 -1.24 -1.82 107.32 109.49 2c8m s GLY 48 Ca 0.32 0.12 0.12 0.00 0.00 0.00 0.00 44.72 45.28 2c8m s GLY 48 CO 0.25 0.54 1.84 -1.82 0.00 0.00 0.00 173.10 173.91 2c8m h TYR 49 N -1.38 0.76 -0.16 1.90 3.20 -1.02 -2.51 116.97 117.76 2c8m h TYR 49 Ca -0.47 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2c8m h TYR 49 Cb 1.26 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2c8m h TYR 49 CO 0.50 0.22 0.00 1.19 -1.64 0.00 0.00 178.16 178.43 2c8m n PHE 50 N -4.58 0.19 -3.10 -3.82 3.72 -1.26 -4.99 117.46 103.62 2c8m n PHE 50 Ca 0.19 -0.09 -0.33 0.00 -0.05 0.00 0.00 57.45 57.17 2c8m n PHE 50 Cb 0.59 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.07 2c8m n PHE 50 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2c8m s GLN 51 N -1.81 4.07 -0.47 -1.08 -0.21 -0.94 -5.03 119.66 114.18 2c8m s GLN 51 Ca 0.34 0.75 -0.22 0.00 0.02 0.00 0.00 55.36 56.24 2c8m s GLN 51 Cb 0.21 -2.49 0.03 0.00 1.00 0.00 0.00 33.01 31.76 2c8m s GLN 51 CO 0.30 0.18 0.76 0.08 -2.12 0.00 0.00 175.29 174.50 2c8m s VAL 52 N -1.92 4.67 0.30 1.09 1.01 -1.26 -4.94 120.40 119.35 2c8m s VAL 52 Ca 0.53 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.76 2c8m s VAL 52 Cb -0.11 -4.34 0.33 0.00 0.00 0.00 0.00 36.38 32.26 2c8m s VAL 52 CO 0.18 -0.78 1.64 0.00 0.00 0.00 0.00 175.10 176.13 2c8m h ALA 53 N 9.02 1.40 0.00 5.51 0.00 -1.89 0.26 119.26 133.56 2c8m h ALA 53 Ca -0.25 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2c8m h ALA 53 Cb 1.09 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2c8m h ALA 53 CO 0.97 -0.52 -0.21 1.05 0.00 0.00 0.00 179.25 180.54 2c8m h GLU 54 N 0.19 0.00 0.00 0.00 9.09 -1.92 -2.66 114.58 119.28 2c8m h GLU 54 Ca 0.60 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.90 2c8m h GLU 54 Cb 1.26 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.35 2c8m h GLU 54 CO -0.69 0.21 -0.52 0.93 0.05 0.00 0.00 179.01 179.00 2c8m h GLU 55 N 0.00 0.00 0.00 1.06 5.08 -0.83 -3.37 114.58 116.52 2c8m h GLU 55 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2c8m h GLU 55 Cb 0.99 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2c8m h GLU 55 CO 0.03 0.52 -1.87 0.39 -1.00 0.00 0.00 179.01 177.07 2c8m n GLU 56 N -3.56 1.12 -4.12 2.33 -0.58 -1.05 -4.82 120.64 109.96 2c8m n GLU 56 Ca -0.00 -0.07 -0.11 0.00 -0.42 0.00 0.00 57.16 56.56 2c8m n GLU 56 Cb 0.60 -1.37 -0.11 0.00 -0.57 0.00 0.00 31.44 29.99 2c8m n GLU 56 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2c8m s VAL 57 N -2.68 0.59 -0.78 2.62 -7.23 -1.03 -1.61 120.40 110.28 2c8m s VAL 57 Ca -0.07 -1.56 -0.21 0.00 -1.81 0.00 0.00 61.98 58.34 2c8m s VAL 57 Cb 0.07 -1.20 0.09 0.00 0.56 0.00 0.00 36.38 35.90 2c8m s VAL 57 CO 0.62 -0.67 1.05 -0.62 -0.31 0.00 0.00 175.10 175.17 2c8m s ASP 58 N -2.40 6.36 0.17 4.85 -1.08 -0.26 -4.67 116.67 119.64 2c8m s ASP 58 Ca 0.02 -1.40 -0.09 0.00 -0.52 0.00 0.00 52.55 50.56 2c8m s ASP 58 Cb -0.01 -2.42 0.04 0.00 -1.46 0.00 0.00 42.92 39.07 2c8m s ASP 58 CO -0.03 -1.31 1.58 -0.07 0.52 0.00 0.00 175.17 175.86 2c8m h LEU 59 N 11.11 1.02 0.27 -1.34 3.38 -1.91 -1.93 115.31 125.91 2c8m h LEU 59 Ca -0.10 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2c8m h LEU 59 Cb 1.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2c8m h LEU 59 CO 1.17 1.15 -0.26 0.44 0.09 0.00 0.00 178.44 181.03 2c8m h ASP 60 N 0.89 -0.70 -0.69 -0.43 3.32 -2.00 -1.61 116.42 115.20 2c8m h ASP 60 Ca 0.13 0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.37 2c8m h ASP 60 Cb 0.72 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 2c8m h ASP 60 CO 0.06 -0.38 0.46 0.22 -1.72 0.00 0.00 179.24 177.88 2c8m h TYR 61 N -0.56 0.46 -0.10 4.55 3.20 -1.88 -1.00 116.97 121.66 2c8m h TYR 61 Ca -0.01 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2c8m h TYR 61 Cb 0.51 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2c8m h TYR 61 CO -0.17 0.19 0.01 0.52 -1.64 0.00 0.00 178.16 177.08 2c8m h MET 62 N 0.41 0.16 -0.45 1.82 2.86 -0.90 -2.28 114.93 116.55 2c8m h MET 62 Ca 0.33 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.96 2c8m h MET 62 Cb 0.72 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 2c8m h MET 62 CO -0.10 0.39 0.24 0.87 1.06 0.00 0.00 176.91 179.37 2c8m h LYS 63 N -0.09 0.47 -0.36 1.72 6.56 -0.25 -1.37 116.57 123.25 2c8m h LYS 63 Ca 0.03 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 2c8m h LYS 63 Cb 0.31 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.85 2c8m h LYS 63 CO 0.00 0.31 0.07 1.57 -2.06 0.00 0.00 179.45 179.34 2c8m h LYS 64 N 0.48 0.54 -0.60 3.15 2.10 -1.32 -2.90 116.57 118.02 2c8m h LYS 64 Ca 0.19 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2c8m h LYS 64 Cb 0.07 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 2c8m h LYS 64 CO -0.12 0.52 0.00 0.09 -2.00 0.00 0.00 179.45 177.94 2c8m n ASN 65 N -4.32 3.37 -2.33 7.07 4.13 -0.82 -4.95 115.26 117.41 2c8m n ASN 65 Ca 0.02 -1.99 -0.16 0.00 1.68 0.00 0.00 54.58 54.13 2c8m n ASN 65 Cb 0.20 -0.40 0.03 0.00 -1.54 0.00 0.00 39.78 38.08 2c8m n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2c8m n GLY 66 N 1.51 -0.18 3.57 7.41 0.00 -0.65 -4.99 105.19 111.85 2c8m n GLY 66 Ca 0.21 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2c8m n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c8m s ILE 67 N -3.04 5.28 0.31 -0.61 1.01 -0.61 -4.82 121.20 118.72 2c8m s ILE 67 Ca 0.25 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 2c8m s ILE 67 Cb -0.11 -3.64 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 2c8m s ILE 67 CO 0.31 0.12 1.17 -0.32 0.00 0.00 0.00 174.94 176.23 2c8m s MET 68 N 1.80 4.49 -0.12 2.79 -2.45 -1.07 -4.60 119.30 120.14 2c8m s MET 68 Ca 0.08 1.93 -0.11 0.00 -1.25 0.00 0.00 55.69 56.34 2c8m s MET 68 Cb -0.17 -3.09 -0.05 0.00 1.25 0.00 0.00 34.83 32.78 2c8m s MET 68 CO 0.11 0.03 0.23 -1.17 1.05 0.00 0.00 175.02 175.27 2c8m s LEU 69 N -1.68 4.34 -0.08 4.11 2.96 -1.26 -0.35 118.68 126.73 2c8m s LEU 69 Ca 0.47 0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 54.86 2c8m s LEU 69 Cb -0.34 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.11 2c8m s LEU 69 CO 0.44 0.27 0.20 0.00 -1.32 0.00 0.00 176.35 175.94 2c8m s ALA 70 N -0.41 -0.48 -0.16 5.97 0.00 -0.28 -4.95 121.76 121.44 2c8m s ALA 70 Ca 0.16 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 2c8m s ALA 70 Cb -0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2c8m s ALA 70 CO 0.05 -0.10 -0.00 0.50 0.00 0.00 0.00 175.76 176.20 2c8m s ARG 71 N 0.22 3.71 0.45 0.00 3.52 -1.26 -0.65 118.95 124.93 2c8m s ARG 71 Ca -0.01 -0.45 0.06 0.00 -0.13 0.00 0.00 55.73 55.20 2c8m s ARG 71 Cb -0.02 -3.00 0.01 0.00 -1.56 0.00 0.00 34.95 30.38 2c8m s ARG 71 CO -0.01 0.30 0.62 -0.98 -0.81 0.00 0.00 175.30 174.42 2c8m s ARG 72 N 0.25 2.78 0.18 5.12 1.70 -0.76 -4.94 118.95 123.28 2c8m s ARG 72 Ca -0.00 -1.10 -0.13 0.00 -0.47 0.00 0.00 55.73 54.03 2c8m s ARG 72 Cb -0.13 -2.69 0.09 0.00 -0.57 0.00 0.00 34.95 31.64 2c8m s ARG 72 CO 0.02 -0.36 1.85 -0.92 -1.08 0.00 0.00 175.30 174.81 2c8m h TYR 73 N 0.51 0.73 -3.94 5.89 3.20 -1.90 -3.24 116.97 118.23 2c8m h TYR 73 Ca -0.41 0.02 -0.49 0.00 3.14 0.00 0.00 58.73 60.99 2c8m h TYR 73 Cb 1.28 -0.25 0.02 0.00 1.54 0.00 0.00 36.73 39.32 2c8m h TYR 73 CO 0.40 0.46 0.25 0.95 -1.64 0.00 0.00 178.16 178.57 2c8m s THR 74 N -6.15 4.70 0.00 1.81 -4.23 -1.26 -4.50 115.64 106.01 2c8m s THR 74 Ca -0.13 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2c8m s THR 74 Cb 0.13 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.21 2c8m s THR 74 CO 0.75 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 2c8m n GLY 75 N -1.68 -2.51 3.27 3.99 0.00 -1.26 -0.86 105.19 106.14 2c8m n GLY 75 Ca 0.04 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2c8m n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c8m n GLY 76 N 1.77 -1.89 2.27 -0.02 0.00 -1.26 -4.54 105.19 101.52 2c8m n GLY 76 Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 2c8m n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c8m n GLY 77 N -0.00 1.82 3.82 -0.02 0.00 -1.26 -3.66 105.19 105.88 2c8m n GLY 77 Ca 0.00 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 2c8m n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c8m s ALA 78 N -2.47 3.64 0.07 4.61 0.00 -1.26 -3.82 121.76 122.53 2c8m s ALA 78 Ca 0.36 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.22 2c8m s ALA 78 Cb -0.03 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 2c8m s ALA 78 CO 0.23 0.41 -0.09 0.14 0.00 0.00 0.00 175.76 176.45 2c8m s VAL 79 N -0.92 0.73 -0.18 0.00 -7.23 -0.38 -4.99 120.40 107.42 2c8m s VAL 79 Ca 0.26 -1.40 -0.08 0.00 -1.81 0.00 0.00 61.98 58.94 2c8m s VAL 79 Cb -0.17 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 2c8m s VAL 79 CO 0.15 -0.50 0.10 -0.47 -0.31 0.00 0.00 175.10 174.07 2c8m s TYR 80 N -2.05 3.34 -0.03 2.82 5.04 -1.26 -0.67 117.35 124.54 2c8m s TYR 80 Ca -0.01 0.22 0.05 0.00 -2.44 0.00 0.00 57.07 54.89 2c8m s TYR 80 Cb -0.05 -2.10 -0.03 0.00 0.35 0.00 0.00 41.96 40.13 2c8m s TYR 80 CO -0.00 0.26 -0.17 -1.01 -1.34 0.00 0.00 175.55 173.29 2c8m s HIS 81 N 0.25 2.61 0.00 4.97 3.76 0.12 -4.99 115.29 122.00 2c8m s HIS 81 Ca 0.06 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 2c8m s HIS 81 Cb -0.12 -1.58 0.00 0.00 1.11 0.00 0.00 32.58 31.99 2c8m s HIS 81 CO -0.01 0.15 0.00 -0.40 -0.85 0.00 0.00 174.74 173.63 2c8m n ASP 82 N 2.24 0.31 0.00 1.40 5.68 -1.24 -0.92 116.55 124.02 2c8m n ASP 82 Ca -0.17 -0.99 0.09 0.00 -0.50 0.00 0.00 54.79 53.23 2c8m n ASP 82 Cb 0.52 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.97 2c8m n ASP 82 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c8m n LEU 83 N 0.00 0.00 -0.56 -2.12 4.77 -1.17 -1.31 117.00 116.61 2c8m n LEU 83 Ca 0.00 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.46 2c8m n LEU 83 Cb 0.00 -0.34 0.45 0.00 -2.33 0.00 0.00 43.42 41.20 2c8m n LEU 83 CO 0.00 -0.12 0.83 0.61 -1.33 0.00 0.00 177.39 177.37 2c8m n GLY 84 N 0.40 0.19 3.50 -0.72 0.00 -1.26 -4.82 105.19 102.47 2c8m n GLY 84 Ca 0.08 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 2c8m n GLY 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c8m s ASP 85 N -1.96 5.14 -0.22 1.61 -1.08 -0.43 -0.15 116.67 119.58 2c8m s ASP 85 Ca 0.36 -0.13 -0.14 0.00 -0.52 0.00 0.00 52.55 52.12 2c8m s ASP 85 Cb 0.21 -1.89 -0.04 0.00 -1.46 0.00 0.00 42.92 39.73 2c8m s ASP 85 CO 0.32 0.06 0.33 -0.22 0.52 0.00 0.00 175.17 176.19 2c8m s LEU 86 N 1.02 4.13 0.10 -1.34 2.96 -0.30 -4.57 118.68 120.69 2c8m s LEU 86 Ca 0.03 0.39 0.05 0.00 -0.22 0.00 0.00 54.13 54.38 2c8m s LEU 86 Cb -0.14 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 2c8m s LEU 86 CO 0.02 -0.05 -0.01 0.20 -1.32 0.00 0.00 176.35 175.19 2c8m s ASN 87 N 1.11 4.92 -0.06 3.68 0.01 -0.35 -0.52 114.94 123.72 2c8m s ASN 87 Ca 0.16 -0.22 -0.21 0.00 -0.71 0.00 0.00 52.86 51.87 2c8m s ASN 87 Cb -0.15 -1.13 0.04 0.00 0.41 0.00 0.00 41.25 40.43 2c8m s ASN 87 CO 0.07 0.17 0.47 0.72 -1.51 0.00 0.00 177.10 177.02 2c8m s PHE 88 N -1.33 -0.42 0.05 2.20 -0.12 -0.58 -1.07 117.98 116.71 2c8m s PHE 88 Ca 0.25 0.78 0.04 0.00 -0.05 0.00 0.00 56.93 57.95 2c8m s PHE 88 Cb -0.11 0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.47 2c8m s PHE 88 CO 0.18 -0.44 -0.11 -1.54 -0.05 0.00 0.00 175.22 173.26 2c8m s SER 89 N -0.96 1.27 -0.07 1.98 1.04 -0.30 -0.18 113.70 116.49 2c8m s SER 89 Ca -0.10 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.82 2c8m s SER 89 Cb -0.03 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.08 2c8m s SER 89 CO 0.05 -0.10 -0.10 -0.69 0.98 0.00 0.00 173.24 173.39 2c8m s VAL 90 N -1.16 0.97 -0.18 5.02 1.01 -0.31 -1.34 120.40 124.40 2c8m s VAL 90 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2c8m s VAL 90 Cb -0.09 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.41 2c8m s VAL 90 CO 0.01 0.32 -0.11 -0.69 0.00 0.00 0.00 175.10 174.64 2c8m s VAL 91 N 0.85 1.54 0.19 2.92 1.01 -0.66 -2.14 120.40 124.11 2c8m s VAL 91 Ca -0.11 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.10 2c8m s VAL 91 Cb -0.15 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 2c8m s VAL 91 CO 0.01 0.26 -0.10 -0.13 0.00 0.00 0.00 175.10 175.15 2c8m s ARG 92 N 1.46 1.23 0.77 2.72 0.52 -1.09 -1.41 118.95 123.15 2c8m s ARG 92 Ca 0.01 -1.56 -0.15 0.00 -0.52 0.00 0.00 55.73 53.52 2c8m s ARG 92 Cb -0.15 -0.83 0.02 0.00 0.52 0.00 0.00 34.95 34.51 2c8m s ARG 92 CO -0.09 0.08 0.90 0.43 0.02 0.00 0.00 175.30 176.64 2c8m n SER 93 N -0.32 0.06 -3.81 0.23 7.64 -1.26 -1.70 113.62 114.45 2c8m n SER 93 Ca -0.08 0.60 -0.12 0.00 1.01 0.00 0.00 58.87 60.27 2c8m n SER 93 Cb 0.61 -1.38 -0.12 0.00 -1.01 0.00 0.00 64.21 62.31 2c8m n SER 93 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2c8m s SER 94 N -1.78 -0.18 0.00 6.43 0.15 -0.54 -4.63 113.70 113.15 2c8m s SER 94 Ca 0.70 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.69 2c8m s SER 94 Cb -0.32 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2c8m s SER 94 CO 0.54 -0.06 0.58 0.47 1.20 0.00 0.00 173.24 175.96 2c8m n ASP 95 N 2.97 1.16 -3.43 5.45 8.00 -1.26 -3.47 116.55 125.97 2c8m n ASP 95 Ca -0.13 -1.15 -0.14 0.00 0.71 0.00 0.00 54.79 54.08 2c8m n ASP 95 Cb 0.59 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 2c8m n ASP 95 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2c8m s ASP 96 N -0.16 0.84 -0.26 -2.24 1.47 -1.26 -5.04 116.67 110.01 2c8m s ASP 96 Ca 0.00 -1.45 0.11 0.00 1.18 0.00 0.00 52.55 52.39 2c8m s ASP 96 Cb 0.00 0.62 0.50 0.00 -0.34 0.00 0.00 42.92 43.70 2c8m s ASP 96 CO 0.00 -1.21 1.44 1.15 0.68 0.00 0.00 175.17 177.23 2c8m n MET 97 N -0.53 1.98 -2.72 2.11 0.00 -1.26 -4.89 117.12 111.81 2c8m n MET 97 Ca 0.02 -3.11 -0.43 0.00 0.00 0.00 0.00 57.70 54.17 2c8m n MET 97 Cb 0.62 -1.80 -0.01 0.00 0.00 0.00 0.00 33.22 32.03 2c8m n MET 97 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2c8m s ASP 98 N -2.49 6.82 0.39 3.17 -1.08 -1.26 -4.81 116.67 117.41 2c8m s ASP 98 Ca 0.43 -2.38 0.13 0.00 -0.52 0.00 0.00 52.55 50.22 2c8m s ASP 98 Cb 0.39 -2.51 0.80 0.00 -1.46 0.00 0.00 42.92 40.14 2c8m s ASP 98 CO 0.01 -1.10 1.87 -0.29 0.52 0.00 0.00 175.17 176.18 2c8m h ILE 99 N 5.56 1.22 -0.18 4.11 2.10 -2.00 -2.70 117.51 125.62 2c8m h ILE 99 Ca 0.33 -1.10 0.02 0.00 1.08 0.00 0.00 64.86 65.19 2c8m h ILE 99 Cb 0.91 1.60 -0.02 0.00 -1.09 0.00 0.00 36.82 38.22 2c8m h ILE 99 CO 1.35 0.31 0.05 0.74 -1.08 0.00 0.00 178.15 179.53 2c8m h THR 100 N 0.00 0.94 -0.91 2.19 2.02 -2.01 -2.22 112.91 112.91 2c8m h THR 100 Ca -0.00 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.22 2c8m h THR 100 Cb 0.57 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 67.71 2c8m h THR 100 CO 0.04 0.02 0.59 0.28 0.37 0.00 0.00 175.52 176.83 2c8m h SER 101 N 0.13 0.85 0.56 4.18 0.02 -1.90 -1.99 113.55 115.41 2c8m h SER 101 Ca 0.08 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2c8m h SER 101 Cb 0.06 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 2c8m h SER 101 CO -0.09 0.51 -0.31 -0.03 -1.14 0.00 0.00 176.83 175.76 2c8m h MET 102 N 0.94 -0.78 -0.95 3.45 -1.53 -1.33 -1.22 114.93 113.50 2c8m h MET 102 Ca 0.42 0.05 0.03 0.00 -3.44 0.00 0.00 59.70 56.77 2c8m h MET 102 Cb 0.37 0.18 -0.05 0.00 -0.55 0.00 0.00 31.60 31.54 2c8m h MET 102 CO -0.18 -0.52 0.62 0.74 0.14 0.00 0.00 176.91 177.71 2c8m h PHE 103 N -0.81 1.16 -0.58 1.39 0.04 -1.20 -0.26 116.94 116.68 2c8m h PHE 103 Ca -0.07 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.79 2c8m h PHE 103 Cb 0.65 -0.39 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 2c8m h PHE 103 CO -0.07 0.67 0.28 0.00 -0.60 0.00 0.00 178.31 178.59 2c8m h ARG 104 N 1.20 0.51 -0.12 1.51 2.47 -1.18 -0.41 114.38 118.37 2c8m h ARG 104 Ca 0.38 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.98 2c8m h ARG 104 Cb -0.01 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 2c8m h ARG 104 CO -0.12 0.34 -0.26 1.15 0.56 0.00 0.00 179.97 181.64 2c8m h THR 105 N 0.53 1.38 -0.67 2.04 2.02 0.01 -1.29 112.91 116.92 2c8m h THR 105 Ca 0.27 -1.55 -0.07 0.00 0.77 0.00 0.00 66.41 65.83 2c8m h THR 105 Cb 0.21 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 2c8m h THR 105 CO -0.20 0.45 0.14 0.24 0.37 0.00 0.00 175.52 176.52 2c8m h MET 106 N -0.02 1.08 -0.56 6.66 2.07 -1.05 -2.39 114.93 120.72 2c8m h MET 106 Ca 0.00 -0.27 -0.01 0.00 -2.07 0.00 0.00 59.70 57.35 2c8m h MET 106 Cb 0.86 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.42 2c8m h MET 106 CO 0.06 0.97 0.31 -0.91 1.07 0.00 0.00 176.91 178.41 2c8m h ASN 107 N 1.02 0.70 -0.52 1.22 2.35 -0.98 -0.83 115.58 118.54 2c8m h ASN 107 Ca 0.21 -0.09 0.10 0.00 -0.55 0.00 0.00 56.30 55.97 2c8m h ASN 107 Cb 0.39 -0.18 -0.08 0.00 0.05 0.00 0.00 38.32 38.51 2c8m h ASN 107 CO 0.01 0.59 0.06 -0.08 -1.65 0.00 0.00 177.43 176.36 2c8m h GLU 108 N 0.76 0.18 -0.81 0.81 4.81 -0.94 -0.09 114.58 119.29 2c8m h GLU 108 Ca 0.20 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2c8m h GLU 108 Cb 0.04 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 2c8m h GLU 108 CO -0.03 0.12 0.52 0.00 -0.73 0.00 0.00 179.01 178.89 2c8m h ALA 109 N 1.44 1.06 -0.52 2.92 0.00 -0.86 -1.31 119.26 121.98 2c8m h ALA 109 Ca 0.27 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2c8m h ALA 109 Cb 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2c8m h ALA 109 CO -0.39 0.35 -0.03 0.28 0.00 0.00 0.00 179.25 179.46 2c8m h VAL 110 N 1.02 1.27 -0.59 0.00 2.07 -0.40 0.43 116.25 120.05 2c8m h VAL 110 Ca 0.32 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 2c8m h VAL 110 Cb -0.01 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2c8m h VAL 110 CO -0.11 0.40 0.13 0.58 0.02 0.00 0.00 177.57 178.59 2c8m h VAL 111 N 0.80 1.25 -0.29 2.57 2.07 -0.76 -0.51 116.25 121.39 2c8m h VAL 111 Ca 0.14 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 2c8m h VAL 111 Cb 0.57 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2c8m h VAL 111 CO 0.03 0.34 0.00 0.78 0.02 0.00 0.00 177.57 178.75 2c8m h ASN 112 N 0.85 0.50 -0.33 0.57 2.35 -1.15 -2.01 115.58 116.36 2c8m h ASN 112 Ca 0.18 -0.30 0.07 0.00 -0.55 0.00 0.00 56.30 55.70 2c8m h ASN 112 Cb 0.37 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.53 2c8m h ASN 112 CO 0.00 0.68 -0.17 0.28 -1.65 0.00 0.00 177.43 176.58 2c8m h SER 113 N 0.30 -0.57 0.57 5.81 0.02 -0.72 -1.07 113.55 117.88 2c8m h SER 113 Ca 0.08 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2c8m h SER 113 Cb 0.42 0.31 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 2c8m h SER 113 CO 0.01 -0.20 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.39 2c8m h LEU 114 N -0.12 0.00 0.74 5.07 3.38 -1.02 -2.65 115.31 120.71 2c8m h LEU 114 Ca 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2c8m h LEU 114 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2c8m h LEU 114 CO -0.41 0.04 -0.35 0.03 0.09 0.00 0.00 178.44 177.84 2c8m h ARG 115 N 0.00 -0.95 -1.18 1.13 2.47 -0.43 0.19 114.38 115.60 2c8m h ARG 115 Ca -0.00 0.07 0.34 0.00 -1.26 0.00 0.00 59.98 59.12 2c8m h ARG 115 Cb 0.34 0.22 -0.09 0.00 -1.65 0.00 0.00 29.97 28.79 2c8m h ARG 115 CO 0.01 -0.62 0.80 0.82 0.56 0.00 0.00 179.97 181.53 2c8m h ILE 116 N -1.05 0.38 0.00 2.04 2.04 -1.20 1.78 117.51 121.50 2c8m h ILE 116 Ca -0.10 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2c8m h ILE 116 Cb 0.77 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2c8m h ILE 116 CO 0.17 0.04 0.00 -0.07 0.00 0.00 0.00 178.15 178.28 2c8m h LEU 117 N 0.19 0.00 0.00 1.44 3.38 -1.44 -3.47 115.31 115.41 2c8m h LEU 117 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.62 2c8m h LEU 117 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 2c8m h LEU 117 CO -0.22 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.92 2c8m n GLY 118 N 0.85 0.83 3.23 0.83 0.00 0.60 -5.00 105.19 106.53 2c8m n GLY 118 Ca 0.04 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 2c8m n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2c8m s LEU 119 N 0.00 2.69 -0.18 0.99 2.96 0.60 -5.00 118.68 120.74 2c8m s LEU 119 Ca 0.00 -0.56 -0.28 0.00 -0.22 0.00 0.00 54.13 53.08 2c8m s LEU 119 Cb 0.00 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 2c8m s LEU 119 CO 0.00 -0.03 0.95 -0.62 -1.32 0.00 0.00 176.35 175.32 2c8m s ASP 120 N 1.39 7.07 0.11 3.68 2.15 -1.26 -3.76 116.67 126.05 2c8m s ASP 120 Ca 0.05 1.33 -0.13 0.00 0.43 0.00 0.00 52.55 54.23 2c8m s ASP 120 Cb -0.14 -2.51 0.02 0.00 -0.30 0.00 0.00 42.92 39.99 2c8m s ASP 120 CO -0.07 -0.51 0.31 0.00 -0.17 0.00 0.00 175.17 174.74 2c8m s ALA 121 N 2.49 -0.63 -0.01 3.66 0.00 -1.26 -4.52 121.76 121.50 2c8m s ALA 121 Ca 0.43 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 2c8m s ALA 121 Cb -0.16 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.57 2c8m s ALA 121 CO 0.12 -0.59 0.18 1.03 0.00 0.00 0.00 175.76 176.50 2c8m s ARG 122 N -3.83 0.50 0.32 0.00 0.52 -0.33 -4.82 118.95 111.31 2c8m s ARG 122 Ca 0.04 -0.29 -0.27 0.00 -0.52 0.00 0.00 55.73 54.69 2c8m s ARG 122 Cb 0.03 0.21 -0.14 0.00 0.52 0.00 0.00 34.95 35.58 2c8m s ARG 122 CO -0.11 -0.12 0.90 -0.35 0.02 0.00 0.00 175.30 175.63 2c8m n PRO 123 N 1.55 1.11 -0.82 3.54 -0.04 -1.26 -0.03 135.00 139.05 2c8m n PRO 123 Ca -0.22 0.39 -0.29 0.00 -0.04 0.00 0.00 63.50 63.34 2c8m n PRO 123 Cb 0.56 -1.75 0.24 0.00 -0.04 0.00 0.00 33.50 32.51 2c8m n PRO 123 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2c8m s GLY 124 N -0.69 1.53 -0.00 0.55 0.00 -0.37 -4.80 107.32 103.54 2c8m s GLY 124 Ca 0.60 -0.58 0.09 0.00 0.00 0.00 0.00 44.72 44.84 2c8m s GLY 124 CO 0.59 0.23 0.34 -1.84 0.00 0.00 0.00 173.10 172.41 2c8m n GLU 125 N -4.85 2.78 -3.50 2.90 0.28 -0.96 -3.69 120.64 113.61 2c8m n GLU 125 Ca 0.08 -0.03 -0.32 0.00 -0.16 0.00 0.00 57.16 56.73 2c8m n GLU 125 Cb 0.58 -1.03 -0.05 0.00 1.43 0.00 0.00 31.44 32.37 2c8m n GLU 125 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2c8m s LEU 126 N -2.82 4.22 -0.06 -1.84 1.43 0.09 -4.81 118.68 114.88 2c8m s LEU 126 Ca 0.01 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 53.90 2c8m s LEU 126 Cb 0.07 -3.51 -0.27 0.00 0.03 0.00 0.00 46.19 42.51 2c8m s LEU 126 CO 0.39 -0.01 0.61 0.78 0.23 0.00 0.00 176.35 178.35 2c8m h ASN 127 N 2.75 0.37 -1.33 2.29 2.35 -1.96 -1.83 115.58 118.22 2c8m h ASN 127 Ca -0.47 -0.67 -0.68 0.00 -0.55 0.00 0.00 56.30 53.93 2c8m h ASN 127 Cb 1.17 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 2c8m h ASN 127 CO 0.70 1.58 1.25 -0.67 -1.65 0.00 0.00 177.43 178.65 2c8m n ASP 128 N -3.42 2.39 0.11 5.81 2.03 -1.26 -4.76 116.55 117.45 2c8m n ASP 128 Ca -0.24 0.65 0.09 0.00 0.52 0.00 0.00 54.79 55.82 2c8m n ASP 128 Cb 1.05 -1.25 0.43 0.00 -0.72 0.00 0.00 41.12 40.64 2c8m n ASP 128 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2c8m n VAL 129 N 6.30 1.09 0.64 5.18 0.24 -1.26 -3.06 118.33 127.46 2c8m n VAL 129 Ca 0.35 0.45 0.08 0.00 -2.04 0.00 0.00 64.34 63.17 2c8m n VAL 129 Cb 0.22 -1.39 0.05 0.00 -1.47 0.00 0.00 33.84 31.24 2c8m n VAL 129 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2c8m n SER 130 N -2.04 2.07 -4.79 -1.34 3.41 -1.26 -4.90 113.62 104.77 2c8m n SER 130 Ca 0.01 -1.54 -0.39 0.00 -0.26 0.00 0.00 58.87 56.69 2c8m n SER 130 Cb 0.12 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 2c8m n SER 130 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2c8m s ILE 131 N -1.42 4.44 0.28 -1.33 -4.36 -1.17 -4.99 121.20 112.65 2c8m s ILE 131 Ca 0.16 1.60 -0.02 0.00 -0.26 0.00 0.00 60.65 62.13 2c8m s ILE 131 Cb 0.13 -4.08 0.20 0.00 1.25 0.00 0.00 42.46 39.95 2c8m s ILE 131 CO 0.24 0.50 1.87 -0.65 0.24 0.00 0.00 174.94 177.14 2c8m h PRO 132 N 4.27 0.98 -4.47 0.37 0.11 -1.92 -3.45 132.00 127.88 2c8m h PRO 132 Ca -0.48 -0.14 -0.21 0.00 0.11 0.00 0.00 66.00 65.29 2c8m h PRO 132 Cb 1.21 -0.18 -0.15 0.00 0.11 0.00 0.00 31.00 31.99 2c8m h PRO 132 CO 0.65 0.77 -0.60 0.14 -0.21 0.00 0.00 178.00 178.75 2c8m s VAL 133 N -5.53 0.04 -1.22 3.15 -7.23 -1.26 -4.88 120.40 103.47 2c8m s VAL 133 Ca -0.11 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2c8m s VAL 133 Cb 0.16 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.79 2c8m s VAL 133 CO 0.80 -0.16 0.00 -3.20 -0.31 0.00 0.00 175.10 172.23 2c8m n ASN 134 N -0.22 -4.28 -4.91 4.85 5.15 -1.26 -4.97 115.26 109.63 2c8m n ASN 134 Ca -0.01 0.06 -0.27 0.00 -0.60 0.00 0.00 54.58 53.75 2c8m n ASN 134 Cb 0.65 -3.37 0.02 0.00 -0.53 0.00 0.00 39.78 36.55 2c8m n ASN 134 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2c8m s LYS 135 N -4.38 3.23 0.00 1.20 1.02 -1.26 -0.73 119.74 118.81 2c8m s LYS 135 Ca 0.00 0.17 0.24 0.00 0.02 0.00 0.00 55.97 56.40 2c8m s LYS 135 Cb 0.00 -2.28 1.36 0.00 -0.52 0.00 0.00 37.83 36.39 2c8m s LYS 135 CO 0.00 -0.51 1.81 1.63 -0.92 0.00 0.00 175.35 177.36 2c8m n LYS 136 N -2.49 0.61 -0.00 1.68 5.02 -0.69 -1.41 118.16 120.88 2c8m n LYS 136 Ca 0.03 0.02 0.08 0.00 -2.02 0.00 0.00 58.31 56.42 2c8m n LYS 136 Cb 0.56 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.98 2c8m n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2c8m n THR 137 N -1.11 0.00 -3.18 -0.18 -2.24 -1.26 -4.62 114.28 101.69 2c8m n THR 137 Ca 0.16 -0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.50 2c8m n THR 137 Cb 0.12 0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 69.29 2c8m n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2c8m s ASP 138 N -2.56 6.71 -0.19 3.42 1.01 -0.61 -2.98 116.67 121.46 2c8m s ASP 138 Ca 0.06 1.17 -0.07 0.00 0.71 0.00 0.00 52.55 54.42 2c8m s ASP 138 Cb 0.12 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 2c8m s ASP 138 CO 0.67 -0.19 0.05 -0.63 0.21 0.00 0.00 175.17 175.28 2c8m s ILE 139 N -1.98 4.52 -0.11 0.77 -1.09 -0.16 -1.23 121.20 121.91 2c8m s ILE 139 Ca 0.52 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.84 2c8m s ILE 139 Cb -0.10 -3.05 -0.01 0.00 -1.58 0.00 0.00 42.46 37.72 2c8m s ILE 139 CO 0.20 0.44 -0.19 -0.04 -1.23 0.00 0.00 174.94 174.11 2c8m s MET 140 N 0.67 3.18 -0.79 2.79 -1.94 0.95 -1.26 119.30 122.91 2c8m s MET 140 Ca 0.02 -0.80 -0.17 0.00 -1.71 0.00 0.00 55.69 53.04 2c8m s MET 140 Cb -0.13 -2.44 0.16 0.00 2.01 0.00 0.00 34.83 34.42 2c8m s MET 140 CO 0.02 0.18 0.85 0.00 -0.01 0.00 0.00 175.02 176.05 2c8m s ALA 141 N 0.38 3.69 0.00 3.03 0.00 0.12 -1.19 121.76 127.80 2c8m s ALA 141 Ca -0.15 -2.86 0.00 0.00 0.00 0.00 0.00 51.96 48.95 2c8m s ALA 141 Cb -0.17 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2c8m s ALA 141 CO 0.07 -2.49 0.00 0.41 0.00 0.00 0.00 175.76 173.75 2c8m n GLY 142 N 4.79 3.51 0.00 0.00 0.00 -1.26 -2.06 105.19 110.17 2c8m n GLY 142 Ca 0.10 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2c8m n GLY 142 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c8m n GLU 143 N 14.00 0.30 -4.14 1.61 0.28 -1.26 -4.82 120.64 126.61 2c8m n GLU 143 Ca 0.00 0.05 -0.35 0.00 -0.16 0.00 0.00 57.16 56.70 2c8m n GLU 143 Cb 0.00 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 2c8m n GLU 143 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2c8m s LYS 144 N -2.64 3.59 0.04 3.44 -0.14 -0.88 -4.91 119.74 118.24 2c8m s LYS 144 Ca 0.22 -0.35 -0.30 0.00 -1.36 0.00 0.00 55.97 54.18 2c8m s LYS 144 Cb 0.17 -3.05 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 2c8m s LYS 144 CO 0.40 0.46 1.01 0.21 -0.76 0.00 0.00 175.35 176.67 2c8m s LYS 145 N -0.18 4.57 -0.00 1.68 2.20 -0.21 0.16 119.74 127.97 2c8m s LYS 145 Ca 0.07 1.48 0.03 0.00 -0.36 0.00 0.00 55.97 57.18 2c8m s LYS 145 Cb -0.12 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2c8m s LYS 145 CO 0.02 -0.02 0.09 0.44 -0.36 0.00 0.00 175.35 175.52 2c8m n ILE 146 N 3.62 0.00 -3.70 5.43 -5.35 -0.39 -1.71 119.36 117.27 2c8m n ILE 146 Ca 0.05 -0.31 -0.14 0.00 -0.27 0.00 0.00 62.75 62.09 2c8m n ILE 146 Cb 0.50 0.81 -0.09 0.00 -1.74 0.00 0.00 39.64 39.11 2c8m n ILE 146 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 2c8m s MET 147 N -1.56 0.62 0.32 6.28 0.00 -1.15 -0.02 119.30 123.78 2c8m s MET 147 Ca 0.00 0.60 0.07 0.00 0.00 0.00 0.00 55.69 56.36 2c8m s MET 147 Cb 0.02 0.30 -0.06 0.00 0.00 0.00 0.00 34.83 35.08 2c8m s MET 147 CO 0.10 -0.09 -0.05 0.20 0.00 0.00 0.00 175.02 175.18 2c8m s GLY 148 N 0.05 2.05 0.08 2.11 0.00 -0.53 -0.98 107.32 110.09 2c8m s GLY 148 Ca -0.02 -2.03 -0.09 0.00 0.00 0.00 0.00 44.72 42.59 2c8m s GLY 148 CO 0.02 -1.93 0.18 0.00 0.00 0.00 0.00 173.10 171.37 2c8m s ALA 149 N -2.86 -0.23 0.14 3.20 0.00 -1.16 -0.76 121.76 120.09 2c8m s ALA 149 Ca 0.32 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 2c8m s ALA 149 Cb 0.04 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 2c8m s ALA 149 CO 0.14 -0.48 0.18 0.00 0.00 0.00 0.00 175.76 175.61 2c8m s ALA 150 N -3.60 0.35 0.24 0.00 0.00 -0.77 -4.90 121.76 113.09 2c8m s ALA 150 Ca 0.03 -1.12 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 2c8m s ALA 150 Cb 0.04 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.00 2c8m s ALA 150 CO -0.10 -0.57 0.57 0.20 0.00 0.00 0.00 175.76 175.87 2c8m s GLY 151 N -2.99 0.09 0.04 0.00 0.00 -1.26 -1.95 107.32 101.24 2c8m s GLY 151 Ca 0.19 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.37 2c8m s GLY 151 CO -0.00 -0.31 0.22 0.00 0.00 0.00 0.00 173.10 173.01 2c8m s ALA 152 N -3.93 -0.45 0.03 3.20 0.00 0.38 -4.57 121.76 116.43 2c8m s ALA 152 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2c8m s ALA 152 Cb -0.02 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 2c8m s ALA 152 CO 0.04 -0.37 -0.04 -1.64 0.00 0.00 0.00 175.76 173.75 2c8m s MET 153 N -2.50 0.39 0.26 0.00 -1.94 -1.26 0.30 119.30 114.55 2c8m s MET 153 Ca -0.06 -0.70 -0.14 0.00 -1.71 0.00 0.00 55.69 53.08 2c8m s MET 153 Cb -0.01 0.02 0.00 0.00 2.01 0.00 0.00 34.83 36.85 2c8m s MET 153 CO -0.03 -0.03 0.53 -0.98 -0.01 0.00 0.00 175.02 174.50 2c8m s ARG 154 N -1.69 1.61 -0.14 2.03 1.70 -0.14 -5.01 118.95 117.31 2c8m s ARG 154 Ca -0.13 -1.21 -0.32 0.00 -0.47 0.00 0.00 55.73 53.61 2c8m s ARG 154 Cb -0.09 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 2c8m s ARG 154 CO -0.01 -0.69 2.03 0.36 -1.08 0.00 0.00 175.30 175.91 2c8m n LYS 155 N -0.40 2.07 0.00 3.89 2.85 -1.26 -2.01 118.16 123.30 2c8m n LYS 155 Ca -0.02 0.70 0.00 0.00 -1.05 0.00 0.00 58.31 57.94 2c8m n LYS 155 Cb 0.61 -2.81 0.00 0.00 -0.65 0.00 0.00 35.03 32.18 2c8m n LYS 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2c8m n GLY 156 N 5.09 1.95 3.16 2.58 0.00 -1.23 -4.94 105.19 111.81 2c8m n GLY 156 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 2c8m n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c8m s ALA 157 N -2.33 -0.57 0.02 4.61 0.00 -0.85 -1.47 121.76 121.18 2c8m s ALA 157 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.23 2c8m s ALA 157 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 2c8m s ALA 157 CO 0.00 -0.20 -0.05 -1.59 0.00 0.00 0.00 175.76 173.91 2c8m s LYS 158 N -0.94 0.40 -0.06 0.00 -2.85 -0.69 -0.97 119.74 114.63 2c8m s LYS 158 Ca -0.10 -0.51 0.05 0.00 -1.00 0.00 0.00 55.97 54.40 2c8m s LYS 158 Cb -0.05 -0.21 -0.00 0.00 -2.06 0.00 0.00 37.83 35.51 2c8m s LYS 158 CO 0.02 0.04 -0.21 -1.17 0.10 0.00 0.00 175.35 174.13 2c8m s LEU 159 N -1.04 1.98 -0.08 2.77 2.96 0.15 -2.66 118.68 122.75 2c8m s LEU 159 Ca -0.07 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 2c8m s LEU 159 Cb -0.07 -1.20 0.05 0.00 0.50 0.00 0.00 46.19 45.47 2c8m s LEU 159 CO -0.00 0.17 0.16 0.86 -1.32 0.00 0.00 176.35 176.22 2c8m s TRP 160 N 0.12 -0.19 0.04 5.38 -0.00 -0.91 -0.47 118.94 122.91 2c8m s TRP 160 Ca -0.09 0.62 0.03 0.00 -0.00 0.00 0.00 56.10 56.66 2c8m s TRP 160 Cb -0.14 -0.25 -0.02 0.00 -0.00 0.00 0.00 33.47 33.06 2c8m s TRP 160 CO 0.05 -0.27 -0.10 -3.38 -0.00 0.00 0.00 176.95 173.25 2c8m s HIS 161 N 2.24 0.87 0.11 5.86 -3.43 -0.82 -1.16 115.29 118.96 2c8m s HIS 161 Ca 0.02 -0.38 0.03 0.00 -0.80 0.00 0.00 55.06 53.93 2c8m s HIS 161 Cb -0.12 -0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 30.47 2c8m s HIS 161 CO -0.06 -0.02 -0.09 0.00 -2.00 0.00 0.00 174.74 172.58 2c8m s ALA 162 N -1.00 1.17 -0.11 -1.38 0.00 0.75 -1.84 121.76 119.34 2c8m s ALA 162 Ca -0.04 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2c8m s ALA 162 Cb -0.08 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2c8m s ALA 162 CO 0.01 -0.14 -0.12 0.00 0.00 0.00 0.00 175.76 175.51 2c8m s ALA 163 N -3.22 1.54 -0.14 0.00 0.00 0.06 -1.53 121.76 118.47 2c8m s ALA 163 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2c8m s ALA 163 Cb 0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2c8m s ALA 163 CO -0.02 -0.25 -0.15 1.41 0.00 0.00 0.00 175.76 176.76 2c8m s MET 164 N 1.32 3.29 -0.50 0.00 1.75 0.32 -1.46 119.30 124.03 2c8m s MET 164 Ca -0.01 -0.73 -0.29 0.00 -1.25 0.00 0.00 55.69 53.41 2c8m s MET 164 Cb -0.14 -2.60 0.03 0.00 2.84 0.00 0.00 34.83 34.96 2c8m s MET 164 CO -0.05 0.13 1.18 -0.51 -0.65 0.00 0.00 175.02 175.11 2c8m s LEU 165 N 0.54 3.59 -0.13 4.11 1.43 0.97 -1.14 118.68 128.04 2c8m s LEU 165 Ca -0.10 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 2c8m s LEU 165 Cb -0.16 -3.47 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 2c8m s LEU 165 CO 0.04 -1.33 -0.23 0.52 0.23 0.00 0.00 176.35 175.58 2c8m n VAL 166 N 6.84 1.22 -2.77 -1.59 0.31 -0.51 0.01 118.33 121.84 2c8m n VAL 166 Ca 0.12 0.01 -0.10 0.00 -0.01 0.00 0.00 64.34 64.35 2c8m n VAL 166 Cb 0.49 -1.93 0.04 0.00 -0.91 0.00 0.00 33.84 31.53 2c8m n VAL 166 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c8m n HIS 167 N -3.98 0.11 -2.87 3.52 1.44 0.78 -2.42 115.22 111.80 2c8m n HIS 167 Ca -0.21 -2.79 -0.34 0.00 -2.01 0.00 0.00 57.72 52.37 2c8m n HIS 167 Cb 0.53 0.07 -0.07 0.00 0.12 0.00 0.00 29.99 30.64 2c8m n HIS 167 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2c8m s THR 168 N -2.23 4.41 -0.76 0.61 2.01 -1.21 -4.34 115.64 114.14 2c8m s THR 168 Ca 0.28 1.45 -0.26 0.00 0.31 0.00 0.00 61.69 63.48 2c8m s THR 168 Cb 0.42 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 2c8m s THR 168 CO -0.01 -0.22 1.83 -0.62 -0.69 0.00 0.00 174.62 174.91 2c8m s ASP 169 N -2.10 5.36 0.54 3.53 -1.08 -1.26 -4.83 116.67 116.83 2c8m s ASP 169 Ca 0.59 -0.22 0.32 0.00 -0.52 0.00 0.00 52.55 52.72 2c8m s ASP 169 Cb -0.11 -2.55 1.43 0.00 -1.46 0.00 0.00 42.92 40.23 2c8m s ASP 169 CO 0.15 -2.43 2.02 -0.07 0.52 0.00 0.00 175.17 175.36 2c8m h LEU 170 N 16.53 0.00 -0.06 -1.34 3.38 -1.99 -2.25 115.31 129.58 2c8m h LEU 170 Ca -0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2c8m h LEU 170 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2c8m h LEU 170 CO 1.23 0.07 -0.34 0.44 0.09 0.00 0.00 178.44 179.94 2c8m h ASP 171 N 0.00 0.40 -0.34 -0.43 3.32 -1.97 -0.98 116.42 116.41 2c8m h ASP 171 Ca -0.00 -0.66 -0.07 0.00 0.02 0.00 0.00 57.03 56.31 2c8m h ASP 171 Cb 0.46 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2c8m h ASP 171 CO 0.01 1.00 -0.08 -0.03 -1.72 0.00 0.00 179.24 178.42 2c8m h MET 172 N -0.17 0.66 -0.82 3.56 4.05 -1.96 -1.17 114.93 119.08 2c8m h MET 172 Ca -0.02 -0.25 0.18 0.00 -0.28 0.00 0.00 59.70 59.33 2c8m h MET 172 Cb 1.00 -0.04 -0.15 0.00 -0.80 0.00 0.00 31.60 31.61 2c8m h MET 172 CO 0.07 0.82 -0.11 1.25 0.23 0.00 0.00 176.91 179.17 2c8m h LEU 173 N 0.45 -0.60 -0.94 3.39 6.46 -1.44 -0.33 115.31 122.30 2c8m h LEU 173 Ca 0.09 0.23 -0.10 0.00 -0.12 0.00 0.00 57.88 57.98 2c8m h LEU 173 Cb 0.58 0.45 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 2c8m h LEU 173 CO 0.03 -0.25 -0.49 -1.28 -0.62 0.00 0.00 178.44 175.83 2c8m h SER 174 N 0.03 0.00 0.73 1.25 0.87 -0.68 -3.01 113.55 112.74 2c8m h SER 174 Ca 0.43 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.73 2c8m h SER 174 Cb 0.72 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2c8m h SER 174 CO -0.80 0.49 -1.22 0.00 -0.53 0.00 0.00 176.83 174.77 2c8m h ALA 175 N 1.51 0.25 0.00 6.23 0.00 0.02 -3.35 119.26 123.93 2c8m h ALA 175 Ca -0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 54.91 53.90 2c8m h ALA 175 Cb 0.93 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2c8m h ALA 175 CO 0.06 1.13 -0.82 -0.24 0.00 0.00 0.00 179.25 179.38 2c8m h VAL 176 N 0.04 0.19 -3.58 0.00 3.04 -1.11 -3.44 116.25 111.40 2c8m h VAL 176 Ca -0.11 -1.33 -0.66 0.00 -1.01 0.00 0.00 66.70 63.59 2c8m h VAL 176 Cb 1.91 1.81 -0.16 0.00 -2.01 0.00 0.00 31.29 32.84 2c8m h VAL 176 CO 0.16 0.11 0.03 -0.76 -1.01 0.00 0.00 177.57 176.11 2c8m s LEU 177 N -5.74 4.58 -0.30 3.16 1.43 -1.14 -1.10 118.68 119.57 2c8m s LEU 177 Ca 0.01 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 2c8m s LEU 177 Cb 0.08 -2.64 0.18 0.00 0.03 0.00 0.00 46.19 43.85 2c8m s LEU 177 CO 0.76 -0.71 0.91 -0.54 0.23 0.00 0.00 176.35 177.00 2c8m s LYS 178 N 2.62 0.31 0.00 1.70 -0.14 -0.64 -4.90 119.74 118.70 2c8m s LYS 178 Ca 0.20 0.55 0.00 0.00 -1.36 0.00 0.00 55.97 55.36 2c8m s LYS 178 Cb -0.15 0.31 0.00 0.00 -1.68 0.00 0.00 37.83 36.31 2c8m s LYS 178 CO 0.17 -0.33 0.00 -2.13 -0.76 0.00 0.00 175.35 172.30 2c8m n ARG 193 N 5.46 0.34 0.00 1.68 0.63 -1.26 -3.76 116.66 119.74 2c8m n ARG 193 Ca -0.05 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.00 2c8m n ARG 193 Cb 0.53 -0.03 0.33 0.00 0.45 0.00 0.00 32.46 33.74 2c8m n ARG 193 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2c8m n GLU 194 N 0.00 0.00 0.00 -0.14 2.13 -1.26 -3.71 120.64 117.66 2c8m n GLU 194 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 2c8m n GLU 194 Cb 0.00 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.22 2c8m n GLU 194 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2c8m n ARG 195 N -1.50 1.27 -4.31 5.31 1.74 -1.26 -4.99 116.66 112.92 2c8m n ARG 195 Ca 0.06 -0.58 -0.24 0.00 -0.77 0.00 0.00 57.85 56.31 2c8m n ARG 195 Cb 0.34 -0.99 -0.08 0.00 -1.02 0.00 0.00 32.46 30.70 2c8m n ARG 195 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2c8m s VAL 196 N -0.69 3.29 0.13 1.55 -7.23 -1.24 -1.04 120.40 115.18 2c8m s VAL 196 Ca 0.05 -1.90 -0.12 0.00 -1.81 0.00 0.00 61.98 58.20 2c8m s VAL 196 Cb 0.04 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.26 2c8m s VAL 196 CO 0.09 -0.31 0.32 0.00 -0.31 0.00 0.00 175.10 174.90 2c8m s ALA 197 N -2.19 -0.47 0.22 1.32 0.00 -0.69 -4.83 121.76 115.13 2c8m s ALA 197 Ca 0.30 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2c8m s ALA 197 Cb -0.07 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 2c8m s ALA 197 CO 0.18 -0.63 0.46 -0.80 0.00 0.00 0.00 175.76 174.97 2c8m s ASN 198 N -2.87 6.45 0.34 0.00 0.02 -1.26 -4.40 114.94 113.21 2c8m s ASN 198 Ca 0.08 0.59 0.02 0.00 -1.02 0.00 0.00 52.86 52.53 2c8m s ASN 198 Cb 0.03 -2.09 0.60 0.00 0.02 0.00 0.00 41.25 39.81 2c8m s ASN 198 CO -0.07 -0.08 1.98 0.58 0.02 0.00 0.00 177.10 179.53 2c8m h VAL 199 N 1.62 1.17 0.00 1.60 2.07 -0.42 -1.05 116.25 121.24 2c8m h VAL 199 Ca -0.47 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2c8m h VAL 199 Cb 1.18 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2c8m h VAL 199 CO 0.68 0.18 0.00 0.35 0.02 0.00 0.00 177.57 178.81 2c8m n THR 200 N -4.41 0.00 0.65 2.57 -2.24 -1.02 -1.82 114.28 108.02 2c8m n THR 200 Ca 0.06 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 2c8m n THR 200 Cb 0.08 -0.22 0.24 0.00 -2.10 0.00 0.00 70.33 68.33 2c8m n THR 200 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2c8m n ASP 201 N -0.61 0.66 -0.01 3.42 8.00 -0.40 -4.36 116.55 123.25 2c8m n ASP 201 Ca 0.04 0.16 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 2c8m n ASP 201 Cb 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.11 2c8m n ASP 201 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2c8m n PHE 202 N -2.03 0.00 -3.82 1.24 3.72 -0.75 -5.04 117.46 110.79 2c8m n PHE 202 Ca 0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.32 2c8m n PHE 202 Cb 0.42 -0.08 -0.10 0.00 -0.94 0.00 0.00 39.48 38.78 2c8m n PHE 202 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2c8m s VAL 203 N -2.04 0.05 -0.97 -4.37 -7.23 -0.91 -5.06 120.40 99.87 2c8m s VAL 203 Ca -0.01 -0.38 -0.21 0.00 -1.81 0.00 0.00 61.98 59.56 2c8m s VAL 203 Cb 0.01 -0.43 0.08 0.00 0.56 0.00 0.00 36.38 36.60 2c8m s VAL 203 CO 0.06 -0.21 1.31 -0.62 -0.31 0.00 0.00 175.10 175.33 2c8m s ASP 204 N -0.80 6.53 0.16 4.85 2.15 -1.26 -4.02 116.67 124.28 2c8m s ASP 204 Ca -0.09 -1.64 0.06 0.00 0.43 0.00 0.00 52.55 51.32 2c8m s ASP 204 Cb -0.05 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 2c8m s ASP 204 CO 0.02 -1.35 -0.13 0.68 -0.17 0.00 0.00 175.17 174.22 2c8m s VAL 205 N 4.10 1.43 0.44 1.11 -7.23 -1.26 -5.14 120.40 113.85 2c8m s VAL 205 Ca 0.40 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 2c8m s VAL 205 Cb -0.02 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 35.06 2c8m s VAL 205 CO -0.09 -0.62 0.64 -0.94 -0.31 0.00 0.00 175.10 173.78 2c8m s SER 206 N -3.08 5.70 0.38 4.85 1.04 -1.26 -4.91 113.70 116.41 2c8m s SER 206 Ca 0.17 -0.00 0.05 0.00 0.48 0.00 0.00 55.95 56.65 2c8m s SER 206 Cb -0.00 -1.17 0.75 0.00 0.10 0.00 0.00 66.02 65.69 2c8m s SER 206 CO 0.03 -0.76 2.03 0.40 0.98 0.00 0.00 173.24 175.92 2c8m h ILE 207 N 0.46 1.12 -0.32 -1.02 2.04 -1.98 -1.72 117.51 116.09 2c8m h ILE 207 Ca -0.44 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.06 2c8m h ILE 207 Cb 1.27 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2c8m h ILE 207 CO 0.53 0.13 -0.28 0.44 0.00 0.00 0.00 178.15 178.97 2c8m h ASP 208 N 0.72 0.69 -0.33 1.72 3.32 -1.99 -1.17 116.42 119.38 2c8m h ASP 208 Ca 0.20 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 2c8m h ASP 208 Cb -0.05 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2c8m h ASP 208 CO -0.05 0.93 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.93 2c8m h GLU 209 N 0.58 0.68 -0.41 3.56 5.08 -1.84 -0.98 114.58 121.25 2c8m h GLU 209 Ca 0.07 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2c8m h GLU 209 Cb 0.77 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2c8m h GLU 209 CO 0.06 0.89 0.22 0.28 -1.00 0.00 0.00 179.01 179.46 2c8m h VAL 210 N 0.45 1.16 -0.01 3.13 2.07 -1.23 -0.94 116.25 120.89 2c8m h VAL 210 Ca 0.08 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2c8m h VAL 210 Cb 0.68 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2c8m h VAL 210 CO 0.05 0.17 -0.03 -0.09 0.02 0.00 0.00 177.57 177.68 2c8m h ARG 211 N 0.53 -0.05 -0.50 1.57 2.43 -1.15 -0.54 114.38 116.67 2c8m h ARG 211 Ca 0.14 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2c8m h ARG 211 Cb 0.07 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 2c8m h ARG 211 CO -0.02 -0.03 0.22 -0.91 -1.51 0.00 0.00 179.97 177.71 2c8m h ASN 212 N -0.05 0.28 -0.90 -3.80 2.35 -1.02 0.23 115.58 112.66 2c8m h ASN 212 Ca 0.02 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2c8m h ASN 212 Cb 0.07 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 2c8m h ASN 212 CO -0.04 0.19 0.60 0.00 -1.65 0.00 0.00 177.43 176.53 2c8m h ALA 213 N 1.30 1.16 -0.17 -0.83 0.00 -0.98 -1.26 119.26 118.48 2c8m h ALA 213 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2c8m h ALA 213 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2c8m h ALA 213 CO -0.20 0.53 0.05 -0.07 0.00 0.00 0.00 179.25 179.56 2c8m h LEU 214 N 1.21 0.25 -0.87 0.00 3.38 -0.12 0.16 115.31 119.32 2c8m h LEU 214 Ca 0.34 -0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.27 2c8m h LEU 214 Cb -0.12 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.46 2c8m h LEU 214 CO -0.08 0.40 0.42 0.40 0.09 0.00 0.00 178.44 179.67 2c8m h ILE 215 N 0.10 0.62 -0.08 1.22 2.04 -0.24 -0.51 117.51 120.65 2c8m h ILE 215 Ca 0.05 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2c8m h ILE 215 Cb 0.24 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2c8m h ILE 215 CO -0.00 0.10 -0.15 0.03 0.00 0.00 0.00 178.15 178.13 2c8m h ARG 216 N 0.53 0.25 -0.35 2.37 3.08 -0.74 -1.66 114.38 117.85 2c8m h ARG 216 Ca 0.51 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 60.28 2c8m h ARG 216 Cb 0.84 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2c8m h ARG 216 CO -0.44 0.74 -0.27 0.78 -1.07 0.00 0.00 179.97 179.71 2c8m h GLY 217 N -0.22 0.78 1.17 0.04 0.00 -0.38 -1.90 103.07 102.57 2c8m h GLY 217 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 47.33 46.47 2c8m h GLY 217 CO 0.03 0.63 -0.47 0.74 0.00 0.00 0.00 176.54 177.48 2c8m h PHE 218 N 0.62 1.09 -0.55 5.60 -1.00 -1.16 -0.73 116.94 120.82 2c8m h PHE 218 Ca 0.08 -0.36 0.02 0.00 2.81 0.00 0.00 57.97 60.53 2c8m h PHE 218 Cb 0.77 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 2c8m h PHE 218 CO 0.04 1.18 0.34 0.77 -1.61 0.00 0.00 178.31 179.03 2c8m h SER 219 N 0.71 0.55 0.09 2.17 0.02 -1.13 -1.45 113.55 114.50 2c8m h SER 219 Ca 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2c8m h SER 219 Cb 1.06 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2c8m h SER 219 CO 0.11 0.39 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.81 2c8m h GLU 220 N 0.67 -0.11 -0.06 3.45 5.08 -1.30 0.16 114.58 122.47 2c8m h GLU 220 Ca 0.22 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2c8m h GLU 220 Cb 0.01 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2c8m h GLU 220 CO -0.09 0.41 -0.18 1.15 -1.00 0.00 0.00 179.01 179.30 2c8m h THR 221 N -0.75 1.16 0.00 1.13 2.02 -1.14 -2.14 112.91 113.19 2c8m h THR 221 Ca -0.01 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2c8m h THR 221 Cb 0.58 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2c8m h THR 221 CO 0.02 0.22 -1.26 0.18 0.37 0.00 0.00 175.52 175.05 2c8m n LEU 222 N -4.28 0.72 -3.57 2.58 4.77 -0.55 -4.98 117.00 111.68 2c8m n LEU 222 Ca -0.02 -0.34 -0.22 0.00 -0.03 0.00 0.00 56.01 55.40 2c8m n LEU 222 Cb 0.27 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 2c8m n LEU 222 CO 0.37 0.18 0.16 0.00 -1.33 0.00 0.00 177.39 176.77 2c8m n HIS 223 N -1.72 -2.52 -4.64 -1.77 -0.00 0.41 -5.02 115.22 99.97 2c8m n HIS 223 Ca 0.02 0.97 -0.33 0.00 -0.00 0.00 0.00 57.72 58.37 2c8m n HIS 223 Cb 0.40 -4.93 -0.13 0.00 -0.00 0.00 0.00 29.99 25.33 2c8m n HIS 223 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2c8m s ILE 224 N -3.36 3.46 -0.79 0.61 1.01 -0.33 -4.07 121.20 117.74 2c8m s ILE 224 Ca 0.34 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 2c8m s ILE 224 Cb -0.15 -2.46 0.09 0.00 0.01 0.00 0.00 42.46 39.95 2c8m s ILE 224 CO 0.74 0.54 1.06 1.51 0.00 0.00 0.00 174.94 178.79 2c8m s ASP 225 N -0.02 6.37 -0.32 3.58 -4.77 0.25 -4.47 116.67 117.29 2c8m s ASP 225 Ca -0.01 -1.44 -0.26 0.00 -3.30 0.00 0.00 52.55 47.54 2c8m s ASP 225 Cb -0.14 -2.42 0.01 0.00 -1.09 0.00 0.00 42.92 39.28 2c8m s ASP 225 CO 0.03 -1.30 0.90 -0.36 0.70 0.00 0.00 175.17 175.15 2c8m s PHE 226 N 3.58 3.17 -0.04 2.11 0.08 -1.26 -0.67 117.98 124.95 2c8m s PHE 226 Ca 0.28 0.94 0.06 0.00 0.12 0.00 0.00 56.93 58.33 2c8m s PHE 226 Cb -0.11 -3.43 -0.02 0.00 -0.57 0.00 0.00 43.02 38.89 2c8m s PHE 226 CO 0.01 -0.66 -0.20 1.03 -0.10 0.00 0.00 175.22 175.30 2c8m s ARG 227 N 3.25 2.33 0.22 0.44 3.00 -0.64 -4.80 118.95 122.75 2c8m s ARG 227 Ca 0.37 -0.81 -0.32 0.00 0.00 0.00 0.00 55.73 54.98 2c8m s ARG 227 Cb -0.13 -2.22 -0.13 0.00 0.00 0.00 0.00 34.95 32.47 2c8m s ARG 227 CO 0.14 0.59 1.58 0.39 0.00 0.00 0.00 175.30 177.99 2c8m n GLU 228 N 2.39 2.40 -3.85 3.54 -0.58 -1.26 -1.31 120.64 121.97 2c8m n GLU 228 Ca -0.17 0.86 -0.09 0.00 -0.42 0.00 0.00 57.16 57.34 2c8m n GLU 228 Cb 0.52 -2.63 -0.06 0.00 -0.57 0.00 0.00 31.44 28.70 2c8m n GLU 228 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2c8m s ASP 229 N 0.73 0.01 0.47 1.62 2.15 -0.28 -4.83 116.67 116.54 2c8m s ASP 229 Ca 0.72 -0.67 0.06 0.00 0.43 0.00 0.00 52.55 53.09 2c8m s ASP 229 Cb -0.59 0.41 -0.01 0.00 -0.30 0.00 0.00 42.92 42.44 2c8m s ASP 229 CO 0.42 -0.83 0.32 0.42 -0.17 0.00 0.00 175.17 175.33 2c8m s THR 230 N -3.89 2.11 0.54 1.71 -4.23 -1.26 -2.92 115.64 107.69 2c8m s THR 230 Ca 0.10 -1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 58.90 2c8m s THR 230 Cb 0.03 -2.63 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 2c8m s THR 230 CO -0.06 0.00 1.07 0.27 -0.54 0.00 0.00 174.62 175.36 2c8m s ILE 231 N -2.64 3.61 0.64 2.99 -4.36 -1.26 -5.01 121.20 115.16 2c8m s ILE 231 Ca 0.39 0.91 -0.09 0.00 -0.26 0.00 0.00 60.65 61.61 2c8m s ILE 231 Cb -0.01 -3.37 0.01 0.00 1.25 0.00 0.00 42.46 40.34 2c8m s ILE 231 CO 0.23 -0.30 1.00 0.42 0.24 0.00 0.00 174.94 176.53 2c8m s THR 232 N -2.08 3.71 0.21 8.37 -4.23 -1.26 -4.92 115.64 115.44 2c8m s THR 232 Ca 0.68 0.30 -0.09 0.00 -1.18 0.00 0.00 61.69 61.39 2c8m s THR 232 Cb -0.18 -3.51 0.15 0.00 1.34 0.00 0.00 72.50 70.29 2c8m s THR 232 CO 0.28 -0.61 1.81 1.05 -0.54 0.00 0.00 174.62 176.61 2c8m h GLU 233 N -0.39 1.08 0.20 3.99 9.09 -1.98 -0.21 114.58 126.37 2c8m h GLU 233 Ca -0.45 -0.14 0.00 0.00 0.05 0.00 0.00 59.36 58.82 2c8m h GLU 233 Cb 1.25 -0.21 -0.02 0.00 -1.65 0.00 0.00 28.75 28.13 2c8m h GLU 233 CO 0.62 0.82 -0.20 1.57 0.05 0.00 0.00 179.01 181.88 2c8m h LYS 234 N 1.07 -0.41 -0.21 1.06 5.09 -1.99 0.70 116.57 121.88 2c8m h LYS 234 Ca 0.27 0.03 0.01 0.00 0.09 0.00 0.00 60.65 61.04 2c8m h LYS 234 Cb 0.07 0.09 -0.01 0.00 0.10 0.00 0.00 32.23 32.48 2c8m h LYS 234 CO -0.04 -0.28 0.12 0.93 -2.09 0.00 0.00 179.45 178.09 2c8m h GLU 235 N -0.43 0.24 -0.37 0.07 5.08 -1.90 -2.11 114.58 115.15 2c8m h GLU 235 Ca -0.00 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2c8m h GLU 235 Cb 0.40 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2c8m h GLU 235 CO -0.05 0.16 -0.07 0.93 -1.00 0.00 0.00 179.01 178.98 2c8m h GLU 236 N 0.25 0.62 -0.19 2.33 4.39 -0.87 -1.13 114.58 119.98 2c8m h GLU 236 Ca 0.08 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2c8m h GLU 236 Cb -0.00 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2c8m h GLU 236 CO -0.04 0.70 0.04 1.03 -1.16 0.00 0.00 179.01 179.58 2c8m h SER 237 N 0.58 0.29 -0.29 1.42 0.87 -0.71 -2.13 113.55 113.58 2c8m h SER 237 Ca 0.11 -0.24 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2c8m h SER 237 Cb 0.48 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 2c8m h SER 237 CO 0.03 0.46 0.04 0.25 -0.53 0.00 0.00 176.83 177.07 2c8m h LEU 238 N 0.11 -0.04 -0.30 2.23 5.85 -0.97 -1.86 115.31 120.33 2c8m h LEU 238 Ca 0.06 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2c8m h LEU 238 Cb 0.28 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2c8m h LEU 238 CO 0.00 0.02 0.15 0.00 -0.34 0.00 0.00 178.44 178.27 2c8m h ALA 239 N 1.22 0.37 -0.14 1.25 0.00 -1.14 0.24 119.26 121.06 2c8m h ALA 239 Ca 0.13 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2c8m h ALA 239 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2c8m h ALA 239 CO -0.20 -0.23 -0.25 0.00 0.00 0.00 0.00 179.25 178.57 2c8m h ARG 240 N 0.32 0.25 -0.09 0.00 3.08 -1.21 0.50 114.38 117.23 2c8m h ARG 240 Ca 0.12 -0.08 -0.20 0.00 0.07 0.00 0.00 59.98 59.88 2c8m h ARG 240 Cb 0.03 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2c8m h ARG 240 CO -0.08 0.50 -0.78 1.49 -1.07 0.00 0.00 179.97 180.03 2c8m h GLU 241 N 0.23 0.55 -0.36 0.04 4.81 -0.90 -2.60 114.58 116.35 2c8m h GLU 241 Ca 0.04 -0.46 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 2c8m h GLU 241 Cb 0.58 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2c8m h GLU 241 CO 0.04 1.09 -0.05 -0.07 -0.73 0.00 0.00 179.01 179.29 2c8m h LEU 242 N 0.37 0.55 -0.15 1.64 3.38 0.27 -2.09 115.31 119.28 2c8m h LEU 242 Ca -0.05 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.59 2c8m h LEU 242 Cb 1.38 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.99 2c8m h LEU 242 CO 0.14 0.66 -0.71 0.15 0.09 0.00 0.00 178.44 178.77 2c8m h PHE 243 N 0.54 1.00 0.03 1.13 3.57 -0.92 -1.25 116.94 121.05 2c8m h PHE 243 Ca 0.11 -0.44 -0.00 0.00 3.53 0.00 0.00 57.97 61.17 2c8m h PHE 243 Cb 0.42 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2c8m h PHE 243 CO 0.02 1.26 -0.02 -0.44 -2.23 0.00 0.00 178.31 176.90 2c8m h ASP 244 N 0.46 -0.04 -0.25 0.41 3.32 -1.36 0.12 116.42 119.09 2c8m h ASP 244 Ca -0.05 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.58 2c8m h ASP 244 Cb 1.34 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 2c8m h ASP 244 CO 0.15 0.31 -0.24 0.11 -1.72 0.00 0.00 179.24 177.84 2c8m h LYS 245 N -0.39 0.60 0.00 3.56 1.79 -1.48 -3.43 116.57 117.22 2c8m h LYS 245 Ca -0.00 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2c8m h LYS 245 Cb 0.36 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2c8m h LYS 245 CO 0.01 0.91 0.00 1.17 -1.08 0.00 0.00 179.45 180.46 2c8m n LYS 246 N -4.35 0.00 0.21 3.15 4.81 -0.56 -4.71 118.16 116.70 2c8m n LYS 246 Ca -0.04 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.54 2c8m n LYS 246 Cb 0.44 -0.04 0.57 0.00 0.02 0.00 0.00 35.03 36.02 2c8m n LYS 246 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2c8m h TYR 247 N 0.00 0.00 -0.00 5.64 0.05 -1.23 -0.34 116.97 121.09 2c8m h TYR 247 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2c8m h TYR 247 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2c8m h TYR 247 CO 0.00 0.00 -0.32 -1.13 -1.05 0.00 0.00 178.16 175.66 2c8m n SER 248 N -2.71 0.72 -4.83 3.88 3.41 0.42 -4.84 113.62 109.67 2c8m n SER 248 Ca 0.02 -0.55 -0.38 0.00 -0.26 0.00 0.00 58.87 57.69 2c8m n SER 248 Cb 0.29 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2c8m n SER 248 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2c8m s THR 249 N -2.71 4.97 0.46 6.66 -4.23 -0.14 -4.95 115.64 115.70 2c8m s THR 249 Ca 0.19 0.92 0.29 0.00 -1.18 0.00 0.00 61.69 61.91 2c8m s THR 249 Cb 0.19 -3.75 0.32 0.00 1.34 0.00 0.00 72.50 70.59 2c8m s THR 249 CO 0.58 0.57 2.13 -0.08 -0.54 0.00 0.00 174.62 177.29 2c8m h GLU 250 N 4.70 0.00 -0.17 3.99 4.57 -1.91 -2.89 114.58 122.87 2c8m h GLU 250 Ca -0.51 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.64 2c8m h GLU 250 Cb 1.22 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2c8m h GLU 250 CO 0.62 0.08 -0.02 0.93 -1.18 0.00 0.00 179.01 179.44 2c8m h GLU 251 N 0.00 0.31 -0.11 1.92 3.07 -1.92 -0.75 114.58 117.10 2c8m h GLU 251 Ca -0.00 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 2c8m h GLU 251 Cb 0.24 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2c8m h GLU 251 CO 0.01 0.56 0.01 2.35 -1.40 0.00 0.00 179.01 180.54 2c8m h TRP 252 N 0.04 0.20 -0.17 4.33 2.91 -1.73 -1.28 115.95 120.25 2c8m h TRP 252 Ca 0.05 -0.03 -0.15 0.00 1.13 0.00 0.00 58.89 59.89 2c8m h TRP 252 Cb 0.43 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 2c8m h TRP 252 CO 0.04 0.40 -0.47 -0.91 -1.03 0.00 0.00 178.44 176.47 2c8m h ASN 253 N -0.05 0.71 0.30 2.65 4.21 -1.53 -3.30 115.58 118.57 2c8m h ASN 253 Ca 0.03 -0.58 0.00 0.00 1.21 0.00 0.00 56.30 56.96 2c8m h ASN 253 Cb 0.31 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 2c8m h ASN 253 CO 0.00 1.17 -1.20 0.23 -1.29 0.00 0.00 177.43 176.34 2c8m n MET 254 N -4.20 0.32 -0.77 0.81 2.81 -0.29 -4.66 117.12 111.13 2c8m n MET 254 Ca -0.07 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 2c8m n MET 254 Cb 0.58 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 2c8m n MET 254 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89