#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khs s THR 2 N 0.00 3.60 0.26 1.12 -4.23 -1.26 -4.84 115.64 110.29 3khs s THR 2 Ca 0.00 0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 60.87 3khs s THR 2 Cb 0.00 -3.49 0.24 0.00 1.34 0.00 0.00 72.50 70.59 3khs s THR 2 CO 0.00 -0.62 1.82 0.44 -0.54 0.00 0.00 174.62 175.72 3khs h ASP 3 N -0.51 0.76 -0.53 3.99 3.32 -1.99 0.18 116.42 121.64 3khs h ASP 3 Ca -0.45 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 3khs h ASP 3 Cb 1.25 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 3khs h ASP 3 CO 0.63 0.42 0.20 0.22 -1.72 0.00 0.00 179.24 178.99 3khs h TYR 4 N 0.86 0.86 -0.70 4.55 3.20 -1.98 0.26 116.97 124.02 3khs h TYR 4 Ca 0.44 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.19 3khs h TYR 4 Cb 0.43 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3khs h TYR 4 CO -0.04 0.69 0.18 -0.44 -1.64 0.00 0.00 178.16 176.90 3khs h ASP 5 N 0.84 1.06 0.23 -2.11 3.32 -1.10 -0.83 116.42 117.83 3khs h ASP 5 Ca 0.19 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 3khs h ASP 5 Cb 0.21 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3khs h ASP 5 CO -0.01 1.02 -0.45 -0.07 -1.72 0.00 0.00 179.24 178.01 3khs h LEU 6 N 1.06 0.29 -0.41 1.55 3.38 -0.23 -2.24 115.31 118.70 3khs h LEU 6 Ca 0.22 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3khs h LEU 6 Cb 0.36 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3khs h LEU 6 CO 0.00 0.70 0.07 0.00 0.09 0.00 0.00 178.44 179.30 3khs h ALA 7 N 1.31 0.55 -0.83 1.53 0.00 -0.04 0.41 119.26 122.19 3khs h ALA 7 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3khs h ALA 7 Cb 0.88 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3khs h ALA 7 CO 0.07 0.26 0.53 0.87 0.00 0.00 0.00 179.25 180.98 3khs h LYS 8 N 0.53 1.11 -0.03 0.00 1.57 -0.98 0.18 116.57 118.95 3khs h LYS 8 Ca 0.12 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3khs h LYS 8 Cb 0.37 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3khs h LYS 8 CO 0.01 0.75 0.01 1.49 -0.57 0.00 0.00 179.45 181.14 3khs h GLU 9 N 1.13 0.05 -0.83 3.15 4.81 -1.10 0.19 114.58 121.98 3khs h GLU 9 Ca 0.30 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.58 3khs h GLU 9 Cb -0.09 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.22 3khs h GLU 9 CO -0.06 0.20 0.51 1.15 -0.73 0.00 0.00 179.01 180.07 3khs h THR 10 N -0.12 1.03 -0.14 0.32 2.02 -0.61 -0.97 112.91 114.45 3khs h THR 10 Ca 0.01 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3khs h THR 10 Cb 0.17 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3khs h THR 10 CO -0.00 0.17 0.03 0.00 0.37 0.00 0.00 175.52 176.09 3khs h ALA 11 N 1.40 0.18 -0.57 6.16 0.00 -0.22 -1.91 119.26 124.30 3khs h ALA 11 Ca 0.36 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3khs h ALA 11 Cb 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3khs h ALA 11 CO -0.18 -0.19 0.38 0.00 0.00 0.00 0.00 179.25 179.27 3khs h ALA 12 N 0.83 2.04 -0.08 0.00 0.00 -0.09 0.34 119.26 122.31 3khs h ALA 12 Ca 0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3khs h ALA 12 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3khs h ALA 12 CO 0.00 -0.17 -0.71 2.35 0.00 0.00 0.00 179.25 180.72 3khs h TRP 13 N 0.37 0.50 -0.06 0.00 7.01 -0.82 -2.94 115.95 120.01 3khs h TRP 13 Ca 0.26 -0.22 -0.24 0.00 2.11 0.00 0.00 58.89 60.81 3khs h TRP 13 Cb 0.54 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 27.53 3khs h TRP 13 CO -0.00 0.96 -0.91 -0.07 -2.79 0.00 0.00 178.44 175.63 3khs h LEU 14 N 0.26 0.82 -1.98 0.65 3.38 -0.32 -3.19 115.31 114.92 3khs h LEU 14 Ca -0.03 -0.61 0.08 0.00 0.09 0.00 0.00 57.88 57.42 3khs h LEU 14 Cb 1.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3khs h LEU 14 CO 0.12 1.40 0.21 0.78 0.09 0.00 0.00 178.44 181.04 3khs h ASN 15 N 0.40 0.02 -0.62 -0.43 -0.26 -0.31 -0.92 115.58 113.46 3khs h ASN 15 Ca -0.09 0.00 0.18 0.00 -0.56 0.00 0.00 56.30 55.83 3khs h ASN 15 Cb 1.55 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.78 3khs h ASN 15 CO 0.18 0.01 0.44 0.11 -1.06 0.00 0.00 177.43 177.11 3khs h LYS 16 N 0.02 0.03 -0.60 0.81 1.57 -1.50 -0.58 116.57 116.32 3khs h LYS 16 Ca 0.14 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3khs h LYS 16 Cb 0.54 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3khs h LYS 16 CO -0.00 0.02 0.00 1.04 -0.57 0.00 0.00 179.45 179.93 3khs n GLN 17 N -4.36 4.00 -5.07 3.15 6.02 -0.35 -4.96 117.38 115.81 3khs n GLN 17 Ca 0.12 -2.95 -0.29 0.00 -0.01 0.00 0.00 57.00 53.87 3khs n GLN 17 Cb 0.68 -1.98 -0.15 0.00 1.02 0.00 0.00 30.24 29.80 3khs n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3khs s LEU 18 N -2.15 2.09 -0.11 1.08 1.43 -0.23 -5.02 118.68 115.78 3khs s LEU 18 Ca 0.51 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3khs s LEU 18 Cb 0.35 -1.23 -0.27 0.00 0.03 0.00 0.00 46.19 45.07 3khs s LEU 18 CO 0.21 0.27 0.42 1.56 0.23 0.00 0.00 176.35 179.04 3khs h GLN 19 N 5.26 0.28 -4.77 1.70 1.08 -1.93 -3.46 115.11 113.27 3khs h GLN 19 Ca -0.43 -0.47 -0.56 0.00 -1.45 0.00 0.00 58.65 55.73 3khs h GLN 19 Cb 1.13 0.18 -0.33 0.00 -0.05 0.00 0.00 27.48 28.41 3khs h GLN 19 CO 0.46 1.21 -0.83 0.42 -0.95 0.00 0.00 178.83 179.14 3khs s ILE 20 N -2.56 1.41 0.27 2.54 1.01 -1.26 -5.11 121.20 117.49 3khs s ILE 20 Ca -0.21 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 3khs s ILE 20 Cb 0.06 -1.26 -0.09 0.00 0.01 0.00 0.00 42.46 41.18 3khs s ILE 20 CO 0.78 0.42 1.21 -0.13 0.00 0.00 0.00 174.94 177.22 3khs s ARG 21 N 0.60 4.49 0.40 2.79 0.52 -1.26 -4.97 118.95 121.52 3khs s ARG 21 Ca -0.15 1.99 -0.26 0.00 -0.52 0.00 0.00 55.73 56.78 3khs s ARG 21 Cb -0.16 -3.16 -0.09 0.00 0.52 0.00 0.00 34.95 32.06 3khs s ARG 21 CO 0.05 -0.03 1.29 -1.25 0.02 0.00 0.00 175.30 175.38 3khs s PRO 22 N -1.21 4.01 -0.02 3.54 0.04 -1.26 -4.87 135.00 135.23 3khs s PRO 22 Ca 0.49 2.12 0.08 0.00 0.04 0.00 0.00 61.00 63.73 3khs s PRO 22 Cb -0.35 -2.78 -0.12 0.00 0.04 0.00 0.00 34.50 31.29 3khs s PRO 22 CO 0.44 -0.44 0.15 1.55 0.04 0.00 0.00 177.00 178.74 3khs n VAL 23 N 0.18 0.10 -5.12 -0.36 3.14 -0.16 -3.61 118.33 112.50 3khs n VAL 23 Ca 0.03 -0.22 -0.29 0.00 -2.96 0.00 0.00 64.34 60.90 3khs n VAL 23 Cb 0.44 0.10 -0.16 0.00 -1.06 0.00 0.00 33.84 33.15 3khs n VAL 23 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3khs s LEU 24 N -3.77 2.03 0.12 6.55 2.96 -1.04 -0.04 118.68 125.48 3khs s LEU 24 Ca -0.03 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.52 3khs s LEU 24 Cb 0.05 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 3khs s LEU 24 CO 0.34 0.24 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.63 3khs s GLY 25 N -0.28 1.73 -0.02 7.98 0.00 0.12 -1.50 107.32 115.36 3khs s GLY 25 Ca 0.02 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.43 3khs s GLY 25 CO 0.01 -1.31 -0.08 -0.42 0.00 0.00 0.00 173.10 171.31 3khs s ILE 26 N -1.19 0.66 -0.20 0.90 1.01 0.07 -0.05 121.20 122.40 3khs s ILE 26 Ca 0.19 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.54 3khs s ILE 26 Cb -0.11 -0.59 0.03 0.00 0.01 0.00 0.00 42.46 41.81 3khs s ILE 26 CO 0.11 0.21 -0.17 -0.69 0.00 0.00 0.00 174.94 174.40 3khs s VAL 27 N 0.11 2.14 -0.18 2.92 1.01 -0.45 0.69 120.40 126.63 3khs s VAL 27 Ca -0.01 -1.11 -0.21 0.00 0.00 0.00 0.00 61.98 60.65 3khs s VAL 27 Cb -0.07 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3khs s VAL 27 CO 0.00 0.38 0.63 0.00 0.00 0.00 0.00 175.10 176.11 3khs n GLY 29 N 3.70 -1.02 3.68 0.00 0.00 -1.05 -3.51 105.19 107.00 3khs n GLY 29 Ca -0.02 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 3khs n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khs s SER 30 N -1.05 6.56 0.00 1.61 0.01 -1.26 -2.24 113.70 117.33 3khs s SER 30 Ca 0.00 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.79 3khs s SER 30 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3khs s SER 30 CO 0.00 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.33 3khs n GLY 31 N 4.12 0.36 1.45 3.44 0.00 -1.26 -4.59 105.19 108.72 3khs n GLY 31 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 3khs n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3khs n LEU 32 N 0.00 4.95 -0.21 0.99 4.77 -0.95 -4.66 117.00 121.90 3khs n LEU 32 Ca 0.00 -3.18 -0.05 0.00 -0.03 0.00 0.00 56.01 52.75 3khs n LEU 32 Cb 0.16 -0.65 0.05 0.00 -2.33 0.00 0.00 43.42 40.65 3khs n LEU 32 CO 0.00 0.79 1.10 1.23 -1.33 0.00 0.00 177.39 179.19 3khs h GLY 33 N 2.31 0.85 -1.32 -0.72 0.00 -1.89 -2.89 103.07 99.41 3khs h GLY 33 Ca 0.12 -0.28 0.42 0.00 0.00 0.00 0.00 47.33 47.59 3khs h GLY 33 CO 0.46 0.25 1.25 0.50 0.00 0.00 0.00 176.54 179.01 3khs h LYS 34 N 0.74 0.00 -0.94 4.80 1.79 -1.94 0.31 116.57 121.33 3khs h LYS 34 Ca 0.24 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.94 3khs h LYS 34 Cb -0.00 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.58 3khs h LYS 34 CO -0.09 0.00 0.63 0.82 -1.08 0.00 0.00 179.45 179.73 3khs h ILE 35 N 0.00 0.60 -0.04 1.86 2.04 -1.82 -1.18 117.51 118.97 3khs h ILE 35 Ca 0.69 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 66.39 3khs h ILE 35 Cb 3.19 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 3khs h ILE 35 CO -0.01 0.05 -0.26 1.23 0.00 0.00 0.00 178.15 179.17 3khs h GLY 36 N 0.28 0.08 2.00 5.37 0.00 -0.63 -2.43 103.07 107.75 3khs h GLY 36 Ca 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3khs h GLY 36 CO -0.15 0.05 0.00 -0.55 0.00 0.00 0.00 176.54 175.89 3khs h ASP 37 N 0.07 0.00 0.75 0.19 3.32 -1.40 -1.69 116.42 117.66 3khs h ASP 37 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3khs h ASP 37 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3khs h ASP 37 CO 0.04 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.36 3khs n SER 38 N -2.30 0.41 -4.72 6.45 7.64 -0.91 -4.74 113.62 115.45 3khs n SER 38 Ca -0.01 0.59 -0.41 0.00 1.01 0.00 0.00 58.87 60.05 3khs n SER 38 Cb 0.07 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.56 3khs n SER 38 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3khs s LEU 39 N -3.88 4.38 0.13 -3.43 1.02 -0.64 -4.66 118.68 111.60 3khs s LEU 39 Ca 0.06 1.57 -0.05 0.00 0.02 0.00 0.00 54.13 55.73 3khs s LEU 39 Cb 0.10 -3.45 -0.05 0.00 0.02 0.00 0.00 46.19 42.81 3khs s LEU 39 CO 0.38 -0.18 0.36 -1.61 0.02 0.00 0.00 176.35 175.32 3khs s GLU 40 N 0.75 3.62 -1.29 1.70 2.02 0.81 -4.36 118.70 121.95 3khs s GLU 40 Ca 0.47 -0.09 -0.04 0.00 0.02 0.00 0.00 54.97 55.33 3khs s GLU 40 Cb -0.21 -2.88 -0.00 0.00 0.10 0.00 0.00 34.13 31.14 3khs s GLU 40 CO 0.26 0.49 0.65 2.41 0.02 0.00 0.00 175.26 179.08 3khs n THR 41 N 0.19 -4.55 -3.41 3.63 -1.04 -1.26 -1.77 114.28 106.07 3khs n THR 41 Ca -0.03 -0.62 -0.36 0.00 -2.04 0.00 0.00 64.05 60.99 3khs n THR 41 Cb 0.52 -3.70 -0.06 0.00 -1.82 0.00 0.00 70.33 65.27 3khs n THR 41 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3khs s SER 42 N -4.17 6.84 -0.10 8.00 1.04 -1.26 -4.62 113.70 119.44 3khs s SER 42 Ca 0.11 1.04 -0.01 0.00 0.48 0.00 0.00 55.95 57.57 3khs s SER 42 Cb -0.03 -2.28 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 3khs s SER 42 CO 0.84 0.20 -0.03 -0.63 0.98 0.00 0.00 173.24 174.60 3khs s ILE 43 N -1.29 3.99 -0.08 -1.02 -1.09 0.07 -4.95 121.20 116.83 3khs s ILE 43 Ca 0.32 -0.36 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 3khs s ILE 43 Cb -0.16 -2.68 -0.00 0.00 -1.58 0.00 0.00 42.46 38.04 3khs s ILE 43 CO 0.18 0.57 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.33 3khs s THR 44 N -0.52 2.03 -0.18 2.92 2.01 -1.26 -0.85 115.64 119.78 3khs s THR 44 Ca 0.08 -1.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.06 3khs s THR 44 Cb -0.12 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.70 3khs s THR 44 CO 0.02 0.56 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.76 3khs s VAL 45 N 0.12 1.26 0.49 3.82 1.01 -0.20 -4.99 120.40 121.91 3khs s VAL 45 Ca -0.12 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 3khs s VAL 45 Cb -0.16 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.71 3khs s VAL 45 CO 0.06 0.09 1.42 0.00 0.00 0.00 0.00 175.10 176.67 3khs s ALA 46 N 1.56 3.10 0.36 5.51 0.00 -1.26 -0.80 121.76 130.22 3khs s ALA 46 Ca -0.01 1.45 0.05 0.00 0.00 0.00 0.00 51.96 53.45 3khs s ALA 46 Cb -0.16 -3.59 0.70 0.00 0.00 0.00 0.00 23.12 20.07 3khs s ALA 46 CO -0.08 -1.29 1.98 1.88 0.00 0.00 0.00 175.76 178.25 3khs h TYR 47 N 2.00 0.78 -0.05 0.00 0.05 -0.87 -2.21 116.97 116.66 3khs h TYR 47 Ca -0.51 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.31 3khs h TYR 47 Cb 1.28 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 38.76 3khs h TYR 47 CO 0.48 0.44 0.07 0.66 -1.05 0.00 0.00 178.16 178.76 3khs h SER 48 N 0.79 0.00 0.22 3.88 4.64 -1.90 -0.86 113.55 120.32 3khs h SER 48 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3khs h SER 48 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3khs h SER 48 CO -0.09 0.00 -0.76 0.47 -0.87 0.00 0.00 176.83 175.58 3khs n ASP 49 N -3.74 0.81 -4.69 4.97 8.00 -0.84 -4.89 116.55 116.17 3khs n ASP 49 Ca -0.02 -0.69 -0.41 0.00 0.71 0.00 0.00 54.79 54.38 3khs n ASP 49 Cb 0.16 0.66 -0.04 0.00 -0.02 0.00 0.00 41.12 41.88 3khs n ASP 49 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3khs s ILE 50 N -2.98 4.91 0.25 0.53 1.01 -0.33 -5.01 121.20 119.57 3khs s ILE 50 Ca 0.10 1.68 -0.31 0.00 0.00 0.00 0.00 60.65 62.11 3khs s ILE 50 Cb 0.17 -4.15 -0.12 0.00 0.01 0.00 0.00 42.46 38.37 3khs s ILE 50 CO 0.79 0.09 1.65 -2.65 0.00 0.00 0.00 174.94 174.81 3khs n PRO 51 N 4.74 2.69 0.00 2.79 -0.02 -1.26 -2.86 135.00 141.08 3khs n PRO 51 Ca 0.04 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 3khs n PRO 51 Cb 0.50 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 3khs n PRO 51 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3khs n ASN 52 N 2.98 0.00 -4.75 2.55 3.02 -1.26 -4.72 115.26 113.08 3khs n ASN 52 Ca 0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.26 3khs n ASN 52 Cb 0.35 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 3khs n ASN 52 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3khs s PHE 53 N -2.07 3.30 0.77 3.10 0.40 -1.14 -4.99 117.98 117.34 3khs s PHE 53 Ca 0.00 1.39 -0.13 0.00 -0.60 0.00 0.00 56.93 57.59 3khs s PHE 53 Cb 0.00 -3.53 0.06 0.00 0.51 0.00 0.00 43.02 40.06 3khs s PHE 53 CO 0.00 -1.51 1.15 -2.14 0.70 0.00 0.00 175.22 173.42 3khs s PRO 54 N -0.73 2.03 0.27 0.24 0.02 -1.26 -4.99 135.00 130.58 3khs s PRO 54 Ca 0.52 1.52 -0.01 0.00 0.02 0.00 0.00 61.00 63.05 3khs s PRO 54 Cb -0.36 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 3khs s PRO 54 CO 0.42 -1.87 0.48 0.08 -0.33 0.00 0.00 177.00 175.78 3khs s VAL 55 N -2.39 5.13 0.00 3.83 1.01 -1.26 -4.91 120.40 121.82 3khs s VAL 55 Ca 0.69 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3khs s VAL 55 Cb -0.24 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3khs s VAL 55 CO 0.49 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.86 3khs n GLY 56 N -1.15 0.02 0.00 4.51 0.00 -1.26 -5.09 105.19 102.22 3khs n GLY 56 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3khs n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khs n ALA 62 N -2.09 0.00 -2.32 4.61 0.00 -1.26 -5.21 120.51 114.24 3khs n ALA 62 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3khs n ALA 62 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3khs n ALA 62 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3khs s GLY 63 N -2.24 2.32 0.02 0.00 0.00 -1.26 -5.00 107.32 101.16 3khs s GLY 63 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 44.72 44.50 3khs s GLY 63 CO 0.00 0.02 0.11 -1.35 0.00 0.00 0.00 173.10 171.88 3khs s SER 64 N -2.25 0.12 -0.18 1.64 1.04 -1.14 -0.13 113.70 112.80 3khs s SER 64 Ca 0.48 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 56.46 3khs s SER 64 Cb -0.11 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 3khs s SER 64 CO 0.20 -0.44 0.01 -0.22 0.98 0.00 0.00 173.24 173.77 3khs s LEU 65 N -1.78 3.46 -0.13 2.42 2.96 0.02 -0.62 118.68 125.01 3khs s LEU 65 Ca -0.10 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3khs s LEU 65 Cb -0.04 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 3khs s LEU 65 CO -0.02 0.13 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.36 3khs s ILE 66 N 0.60 2.78 -0.14 6.68 1.01 0.63 -1.03 121.20 131.73 3khs s ILE 66 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 3khs s ILE 66 Cb -0.14 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3khs s ILE 66 CO 0.02 0.53 -0.09 -0.36 0.00 0.00 0.00 174.94 175.03 3khs s PHE 67 N 0.45 2.90 -0.43 3.97 0.40 -0.03 0.39 117.98 125.63 3khs s PHE 67 Ca -0.11 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 3khs s PHE 67 Cb -0.16 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.48 3khs s PHE 67 CO 0.05 -0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.25 3khs n GLY 68 N 3.50 -1.25 3.65 4.36 0.00 -0.43 -0.75 105.19 114.27 3khs n GLY 68 Ca -0.18 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 3khs n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3khs s SER 69 N -1.14 4.69 -0.07 1.61 1.04 -0.73 0.66 113.70 119.76 3khs s SER 69 Ca 0.00 -0.45 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 3khs s SER 69 Cb 0.00 -0.96 0.04 0.00 0.10 0.00 0.00 66.02 65.20 3khs s SER 69 CO 0.00 0.08 0.15 -0.69 0.98 0.00 0.00 173.24 173.76 3khs s VAL 70 N -1.79 -0.09 -1.67 5.02 1.01 -0.30 -0.13 120.40 122.44 3khs s VAL 70 Ca 0.28 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 3khs s VAL 70 Cb -0.09 -0.25 0.17 0.00 0.00 0.00 0.00 36.38 36.21 3khs s VAL 70 CO 0.18 0.09 0.73 0.59 0.00 0.00 0.00 175.10 176.69 3khs n ASN 71 N 4.43 -3.10 0.00 3.32 3.02 -1.26 -0.31 115.26 121.36 3khs n ASN 71 Ca -0.22 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 3khs n ASN 71 Cb 0.51 -2.56 0.00 0.00 -0.61 0.00 0.00 39.78 37.13 3khs n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3khs n GLY 72 N -1.30 0.58 3.47 7.41 0.00 -1.26 -4.88 105.19 109.22 3khs n GLY 72 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3khs n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khs s VAL 73 N -2.34 3.89 -0.14 1.61 1.01 0.58 -5.08 120.40 119.92 3khs s VAL 73 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 3khs s VAL 73 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3khs s VAL 73 CO 0.00 0.47 1.11 -0.94 0.00 0.00 0.00 175.10 175.74 3khs s SER 74 N 0.63 7.10 0.23 3.32 1.04 -1.26 -1.15 113.70 123.60 3khs s SER 74 Ca -0.02 1.58 0.08 0.00 0.48 0.00 0.00 55.95 58.08 3khs s SER 74 Cb -0.14 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.38 3khs s SER 74 CO 0.02 -0.61 -0.15 0.00 0.98 0.00 0.00 173.24 173.49 3khs s VAL 76 N -2.88 1.58 -0.11 0.00 0.11 -0.56 -1.32 120.40 117.22 3khs s VAL 76 Ca 0.25 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 3khs s VAL 76 Cb -0.01 -1.42 0.01 0.00 -1.53 0.00 0.00 36.38 33.43 3khs s VAL 76 CO 0.09 0.46 -0.19 0.00 -3.33 0.00 0.00 175.10 172.12 3khs s MET 78 N 0.76 3.87 -1.07 0.00 -1.94 0.22 -0.27 119.30 120.86 3khs s MET 78 Ca -0.10 0.42 -0.11 0.00 -1.71 0.00 0.00 55.69 54.19 3khs s MET 78 Cb -0.16 -3.76 0.25 0.00 2.01 0.00 0.00 34.83 33.17 3khs s MET 78 CO 0.01 -0.71 1.09 0.15 -0.01 0.00 0.00 175.02 175.55 3khs s LYS 79 N 2.92 4.06 0.00 2.03 1.02 0.21 -0.63 119.74 129.35 3khs s LYS 79 Ca 0.30 -2.96 0.00 0.00 0.02 0.00 0.00 55.97 53.34 3khs s LYS 79 Cb -0.14 -4.61 0.00 0.00 -0.52 0.00 0.00 37.83 32.56 3khs s LYS 79 CO 0.14 -1.34 0.00 0.41 -0.92 0.00 0.00 175.35 173.64 3khs n GLY 80 N 3.20 3.34 2.09 -3.33 0.00 -1.23 -2.86 105.19 106.40 3khs n GLY 80 Ca 0.24 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.48 3khs n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3khs n ARG 81 N -0.15 0.74 -4.89 1.61 1.85 -1.26 -4.79 116.66 109.77 3khs n ARG 81 Ca 0.00 -2.15 -0.31 0.00 -1.00 0.00 0.00 57.85 54.39 3khs n ARG 81 Cb 0.00 1.14 -0.14 0.00 -1.05 0.00 0.00 32.46 32.41 3khs n ARG 81 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3khs s PHE 82 N -2.48 2.51 0.10 2.89 0.08 -1.26 -5.09 117.98 114.73 3khs s PHE 82 Ca 0.12 -0.30 0.07 0.00 0.12 0.00 0.00 56.93 56.95 3khs s PHE 82 Cb 0.01 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.92 3khs s PHE 82 CO 0.09 0.16 -0.19 -1.01 -0.10 0.00 0.00 175.22 174.17 3khs s HIS 83 N -0.79 1.61 0.33 0.36 3.76 -1.26 -4.87 115.29 114.42 3khs s HIS 83 Ca 0.12 -0.44 0.08 0.00 -0.15 0.00 0.00 55.06 54.68 3khs s HIS 83 Cb -0.10 -0.88 0.79 0.00 1.11 0.00 0.00 32.58 33.49 3khs s HIS 83 CO 0.02 0.16 1.80 -0.07 -0.85 0.00 0.00 174.74 175.81 3khs h LEU 84 N 4.10 0.72 -0.90 0.89 4.07 -1.80 -1.22 115.31 121.17 3khs h LEU 84 Ca -0.44 0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.59 3khs h LEU 84 Cb 1.18 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3khs h LEU 84 CO 0.40 0.28 0.00 0.00 -1.08 0.00 0.00 178.44 178.05 3khs n TYR 85 N -4.69 0.71 0.78 1.13 4.11 -1.24 -1.40 117.16 116.56 3khs n TYR 85 Ca 0.22 0.31 0.13 0.00 -0.00 0.00 0.00 57.90 58.56 3khs n TYR 85 Cb 0.57 -1.00 0.43 0.00 -0.00 0.00 0.00 39.34 39.34 3khs n TYR 85 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3khs n GLU 86 N -2.18 0.16 0.00 -3.48 1.02 -0.46 -4.76 120.64 110.93 3khs n GLU 86 Ca 0.01 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3khs n GLU 86 Cb 0.15 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 3khs n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3khs n GLY 87 N 1.39 1.27 3.81 0.62 0.00 -0.49 -5.09 105.19 106.70 3khs n GLY 87 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3khs n GLY 87 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3khs s HIS 88 N -2.00 3.18 0.75 1.61 3.76 -1.24 -5.04 115.29 116.31 3khs s HIS 88 Ca 0.00 1.55 -0.12 0.00 -0.15 0.00 0.00 55.06 56.34 3khs s HIS 88 Cb 0.00 -2.93 0.04 0.00 1.11 0.00 0.00 32.58 30.79 3khs s HIS 88 CO 0.00 -0.59 1.11 0.95 -0.85 0.00 0.00 174.74 175.36 3khs s THR 89 N -2.28 3.21 0.24 1.30 -4.23 -1.26 -4.45 115.64 108.18 3khs s THR 89 Ca 0.63 0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 61.47 3khs s THR 89 Cb -0.13 -3.31 0.25 0.00 1.34 0.00 0.00 72.50 70.65 3khs s THR 89 CO 0.24 -0.51 1.92 0.00 -0.54 0.00 0.00 174.62 175.73 3khs h ALA 90 N -0.84 1.24 -0.28 3.99 0.00 -1.87 -0.33 119.26 121.18 3khs h ALA 90 Ca -0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 3khs h ALA 90 Cb 1.27 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3khs h ALA 90 CO 0.63 0.65 0.06 0.00 0.00 0.00 0.00 179.25 180.59 3khs h ALA 91 N 1.35 0.37 -0.15 0.00 0.00 -1.81 -2.39 119.26 116.63 3khs h ALA 91 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3khs h ALA 91 Cb -0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3khs h ALA 91 CO -0.07 0.03 0.09 -0.09 0.00 0.00 0.00 179.25 179.21 3khs h ARG 92 N 0.28 0.20 0.00 0.00 9.65 -1.78 -2.36 114.38 120.37 3khs h ARG 92 Ca 0.09 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3khs h ARG 92 Cb 0.29 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3khs h ARG 92 CO 0.00 0.15 0.00 0.00 2.80 0.00 0.00 179.97 182.93 3khs h ALA 93 N 1.03 1.00 -0.40 2.80 0.00 -1.01 -2.03 119.26 120.64 3khs h ALA 93 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3khs h ALA 93 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3khs h ALA 93 CO -0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.49 3khs n THR 94 N -2.41 1.94 -0.21 0.00 -2.24 -0.91 -4.53 114.28 105.93 3khs n THR 94 Ca 0.01 -1.47 -0.07 0.00 -2.27 0.00 0.00 64.05 60.26 3khs n THR 94 Cb 0.21 0.01 0.08 0.00 -2.10 0.00 0.00 70.33 68.52 3khs n THR 94 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3khs h PHE 95 N 2.61 1.09 0.00 4.78 3.57 -0.92 -2.54 116.94 125.54 3khs h PHE 95 Ca 0.00 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 3khs h PHE 95 Cb 1.34 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 3khs h PHE 95 CO 0.56 0.92 -0.06 -1.35 -2.23 0.00 0.00 178.31 176.15 3khs h PRO 96 N 0.97 0.00 -0.20 6.41 0.11 -1.81 -0.88 132.00 136.61 3khs h PRO 96 Ca 0.19 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.17 3khs h PRO 96 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3khs h PRO 96 CO 0.01 0.06 -0.44 0.52 -0.21 0.00 0.00 178.00 177.95 3khs h MET 97 N 0.00 0.49 -0.28 1.05 2.86 -1.78 0.12 114.93 117.39 3khs h MET 97 Ca -0.00 -0.26 -0.14 0.00 -2.06 0.00 0.00 59.70 57.24 3khs h MET 97 Cb 0.13 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3khs h MET 97 CO 0.01 0.83 -0.39 0.00 1.06 0.00 0.00 176.91 178.42 3khs h ARG 98 N 0.40 0.66 -0.18 1.72 3.08 -1.15 -2.21 114.38 116.69 3khs h ARG 98 Ca 0.03 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3khs h ARG 98 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3khs h ARG 98 CO 0.08 0.93 0.07 0.28 -1.07 0.00 0.00 179.97 180.26 3khs h VAL 99 N 0.54 1.17 -0.59 2.04 2.07 -0.80 -1.30 116.25 119.38 3khs h VAL 99 Ca 0.05 -0.52 0.12 0.00 0.82 0.00 0.00 66.70 67.17 3khs h VAL 99 Cb 0.91 1.18 -0.10 0.00 -1.52 0.00 0.00 31.29 31.75 3khs h VAL 99 CO 0.08 0.16 -0.05 -0.26 0.02 0.00 0.00 177.57 177.52 3khs h PHE 100 N 0.13 -0.14 -0.12 1.57 -1.00 -0.60 0.36 116.94 117.13 3khs h PHE 100 Ca 0.06 0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.90 3khs h PHE 100 Cb 0.20 0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 3khs h PHE 100 CO -0.01 -0.19 0.05 -0.22 -1.61 0.00 0.00 178.31 176.33 3khs h LYS 101 N 0.07 0.11 -0.06 1.51 3.64 -1.04 -1.80 116.57 119.01 3khs h LYS 101 Ca 0.30 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 3khs h LYS 101 Cb 0.48 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3khs h LYS 101 CO -0.54 0.07 0.08 0.00 -2.27 0.00 0.00 179.45 176.79 3khs h ALA 102 N 1.07 1.55 0.00 5.00 0.00 -0.05 0.14 119.26 126.98 3khs h ALA 102 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3khs h ALA 102 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3khs h ALA 102 CO -0.05 -0.11 -0.10 1.28 0.00 0.00 0.00 179.25 180.27 3khs n LEU 103 N -3.71 0.33 0.00 0.00 4.77 -0.01 -4.91 117.00 113.48 3khs n LEU 103 Ca -0.01 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3khs n LEU 103 Cb 0.17 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3khs n LEU 103 CO 0.26 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3khs n GLY 104 N 1.44 0.92 3.77 -0.72 0.00 0.50 -4.41 105.19 106.68 3khs n GLY 104 Ca 0.06 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3khs n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khs s VAL 105 N -2.00 2.51 -0.08 1.61 1.01 -0.87 -4.63 120.40 117.95 3khs s VAL 105 Ca 0.00 0.50 0.09 0.00 0.00 0.00 0.00 61.98 62.57 3khs s VAL 105 Cb 0.00 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 32.93 3khs s VAL 105 CO 0.00 0.11 0.07 0.29 0.00 0.00 0.00 175.10 175.58 3khs n LYS 106 N 0.87 2.02 -4.51 2.72 5.02 0.94 -4.69 118.16 120.54 3khs n LYS 106 Ca 0.01 -0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.06 3khs n LYS 106 Cb 0.41 -1.25 -0.15 0.00 -0.02 0.00 0.00 35.03 34.01 3khs n LYS 106 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3khs s ILE 107 N -2.33 0.94 -0.10 -0.18 1.01 -1.13 -1.22 121.20 118.20 3khs s ILE 107 Ca -0.05 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.17 3khs s ILE 107 Cb 0.04 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.70 3khs s ILE 107 CO 0.41 0.28 -0.20 -0.69 0.00 0.00 0.00 174.94 174.74 3khs s VAL 108 N 0.05 1.76 -0.30 2.92 1.01 0.57 0.15 120.40 126.57 3khs s VAL 108 Ca -0.01 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 3khs s VAL 108 Cb -0.08 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.77 3khs s VAL 108 CO 0.01 0.49 0.05 -0.69 0.00 0.00 0.00 175.10 174.96 3khs s VAL 109 N 0.58 3.67 -0.01 2.92 1.01 0.93 -1.61 120.40 127.89 3khs s VAL 109 Ca -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3khs s VAL 109 Cb -0.17 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3khs s VAL 109 CO 0.05 0.04 0.05 -0.76 0.00 0.00 0.00 175.10 174.48 3khs s LEU 110 N 1.43 3.76 0.12 3.92 2.01 0.98 -1.34 118.68 129.56 3khs s LEU 110 Ca 0.01 0.10 0.04 0.00 0.01 0.00 0.00 54.13 54.29 3khs s LEU 110 Cb -0.18 -2.17 -0.04 0.00 0.01 0.00 0.00 46.19 43.82 3khs s LEU 110 CO 0.01 0.28 -0.11 0.42 1.01 0.00 0.00 176.35 177.96 3khs s THR 111 N -1.15 1.07 0.21 5.49 -4.23 -0.77 -0.75 115.64 115.51 3khs s THR 111 Ca 0.21 -1.78 -0.23 0.00 -1.18 0.00 0.00 61.69 58.72 3khs s THR 111 Cb -0.12 -1.53 0.05 0.00 1.34 0.00 0.00 72.50 72.24 3khs s THR 111 CO 0.12 -0.59 0.77 0.54 -0.54 0.00 0.00 174.62 174.93 3khs s ASN 112 N -2.66 -0.30 -0.15 3.99 2.20 -1.05 -2.51 114.94 114.47 3khs s ASN 112 Ca 0.09 -0.41 -0.04 0.00 -0.94 0.00 0.00 52.86 51.56 3khs s ASN 112 Cb -0.02 0.62 -0.03 0.00 -2.00 0.00 0.00 41.25 39.82 3khs s ASN 112 CO 0.01 -1.12 -0.00 0.00 -2.94 0.00 0.00 177.10 173.04 3khs s ALA 113 N -3.67 3.16 0.14 3.54 0.00 -1.26 -0.07 121.76 123.60 3khs s ALA 113 Ca 0.09 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 3khs s ALA 113 Cb -0.04 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 3khs s ALA 113 CO 0.01 0.29 0.09 0.00 0.00 0.00 0.00 175.76 176.15 3khs s ALA 114 N 0.09 0.83 -0.17 0.00 0.00 -0.14 -4.81 121.76 117.55 3khs s ALA 114 Ca 0.01 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.37 3khs s ALA 114 Cb -0.13 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 3khs s ALA 114 CO 0.02 -0.52 0.33 0.20 0.00 0.00 0.00 175.76 175.80 3khs s GLY 115 N -3.06 2.18 0.10 0.00 0.00 -0.48 -1.65 107.32 104.41 3khs s GLY 115 Ca 0.26 -0.48 -0.28 0.00 0.00 0.00 0.00 44.72 44.22 3khs s GLY 115 CO 0.03 0.58 0.88 -0.32 0.00 0.00 0.00 173.10 174.27 3khs s GLY 116 N 0.71 2.93 -0.10 0.20 0.00 0.47 -0.71 107.32 110.81 3khs s GLY 116 Ca 0.18 0.46 0.09 0.00 0.00 0.00 0.00 44.72 45.45 3khs s GLY 116 CO 0.06 1.27 0.03 1.04 0.00 0.00 0.00 173.10 175.50 3khs n LEU 117 N 2.62 0.08 -4.68 0.66 4.77 0.18 -0.86 117.00 119.77 3khs n LEU 117 Ca -0.00 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3khs n LEU 117 Cb 0.49 0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.79 3khs n LEU 117 CO 0.49 0.27 1.48 0.21 -1.33 0.00 0.00 177.39 178.52 3khs s ASN 118 N -4.32 6.49 0.53 -1.43 3.84 -0.64 -4.88 114.94 114.53 3khs s ASN 118 Ca -0.06 2.63 0.38 0.00 0.21 0.00 0.00 52.86 56.02 3khs s ASN 118 Cb 0.03 -2.55 1.55 0.00 -0.55 0.00 0.00 41.25 39.73 3khs s ASN 118 CO 0.43 -0.99 1.74 -0.65 -2.79 0.00 0.00 177.10 174.84 3khs h PRO 119 N 9.35 0.04 -0.02 0.43 0.11 -1.92 -0.94 132.00 139.05 3khs h PRO 119 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3khs h PRO 119 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3khs h PRO 119 CO 0.94 0.02 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.61 3khs n SER 120 N -4.20 2.12 -4.83 -2.05 3.41 -1.26 -4.92 113.62 101.89 3khs n SER 120 Ca 0.30 -1.69 -0.33 0.00 -0.26 0.00 0.00 58.87 56.90 3khs n SER 120 Cb 1.39 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 65.29 3khs n SER 120 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3khs s TYR 121 N -2.03 3.35 0.08 7.33 1.51 -0.36 -5.07 117.35 122.16 3khs s TYR 121 Ca 0.33 1.50 0.04 0.00 -1.01 0.00 0.00 57.07 57.94 3khs s TYR 121 Cb 0.20 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.25 3khs s TYR 121 CO 0.33 -0.13 -0.12 1.03 -1.11 0.00 0.00 175.55 175.55 3khs s ARG 122 N -3.35 0.80 0.22 -0.62 0.52 -1.26 -4.97 118.95 110.28 3khs s ARG 122 Ca 0.60 -1.00 -0.32 0.00 -0.52 0.00 0.00 55.73 54.49 3khs s ARG 122 Cb -0.09 -0.67 -0.12 0.00 0.52 0.00 0.00 34.95 34.58 3khs s ARG 122 CO 0.18 0.14 1.65 -0.35 0.02 0.00 0.00 175.30 176.93 3khs n PRO 123 N 1.07 2.57 0.00 3.54 -0.04 -1.26 -1.29 135.00 139.59 3khs n PRO 123 Ca -0.20 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3khs n PRO 123 Cb 0.55 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 3khs n PRO 123 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3khs n GLY 124 N 3.38 2.88 3.68 0.55 0.00 0.53 -5.01 105.19 111.20 3khs n GLY 124 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3khs n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3khs s ASP 125 N -1.46 2.91 -0.04 1.61 1.11 -0.41 -4.75 116.67 115.64 3khs s ASP 125 Ca 0.00 1.41 0.06 0.00 0.18 0.00 0.00 52.55 54.20 3khs s ASP 125 Cb 0.00 -2.08 -0.02 0.00 1.07 0.00 0.00 42.92 41.89 3khs s ASP 125 CO 0.00 -2.98 -0.21 -0.36 1.18 0.00 0.00 175.17 172.80 3khs s PHE 126 N -2.89 2.51 -0.25 4.23 2.99 0.67 -0.41 117.98 124.83 3khs s PHE 126 Ca 0.65 -0.35 0.01 0.00 0.00 0.00 0.00 56.93 57.24 3khs s PHE 126 Cb -0.19 -1.57 0.06 0.00 0.00 0.00 0.00 43.02 41.32 3khs s PHE 126 CO 0.58 0.04 -0.05 1.41 -0.00 0.00 0.00 175.22 177.20 3khs s MET 127 N -0.60 1.69 0.15 0.44 1.75 0.10 -0.27 119.30 122.56 3khs s MET 127 Ca 0.09 -1.12 -0.30 0.00 -1.25 0.00 0.00 55.69 53.11 3khs s MET 127 Cb -0.11 -2.66 -0.07 0.00 2.84 0.00 0.00 34.83 34.83 3khs s MET 127 CO 0.00 -0.63 1.20 0.08 -0.65 0.00 0.00 175.02 175.02 3khs s VAL 128 N 1.32 3.67 -0.20 10.11 1.01 0.44 -0.51 120.40 136.24 3khs s VAL 128 Ca -0.05 1.35 -0.23 0.00 0.00 0.00 0.00 61.98 63.05 3khs s VAL 128 Cb -0.19 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 3khs s VAL 128 CO -0.07 0.19 0.74 -0.69 0.00 0.00 0.00 175.10 175.26 3khs s VAL 129 N 0.24 4.93 -0.04 2.92 1.01 0.27 -1.42 120.40 128.32 3khs s VAL 129 Ca 0.55 1.41 0.21 0.00 0.00 0.00 0.00 61.98 64.14 3khs s VAL 129 Cb -0.32 -4.04 -0.32 0.00 0.00 0.00 0.00 36.38 31.70 3khs s VAL 129 CO 0.35 0.04 0.42 -2.11 0.00 0.00 0.00 175.10 173.80 3khs n ARG 130 N 5.36 0.64 -3.66 2.72 1.85 -0.22 -4.66 116.66 118.70 3khs n ARG 130 Ca 0.02 -0.18 -0.04 0.00 -1.00 0.00 0.00 57.85 56.65 3khs n ARG 130 Cb 0.49 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.39 3khs n ARG 130 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3khs s ASP 131 N -4.47 -0.21 0.19 2.89 2.15 -1.24 -4.59 116.67 111.39 3khs s ASP 131 Ca -0.08 -0.24 -0.00 0.00 0.43 0.00 0.00 52.55 52.66 3khs s ASP 131 Cb 0.13 0.40 -0.04 0.00 -0.30 0.00 0.00 42.92 43.10 3khs s ASP 131 CO 0.86 -0.71 0.09 -1.38 -0.17 0.00 0.00 175.17 173.85 3khs s HIS 132 N -3.09 1.17 -0.25 -5.34 -3.43 -1.26 -0.95 115.29 102.14 3khs s HIS 132 Ca 0.10 -1.25 -0.01 0.00 -0.80 0.00 0.00 55.06 53.10 3khs s HIS 132 Cb -0.00 -0.63 0.08 0.00 -1.43 0.00 0.00 32.58 30.59 3khs s HIS 132 CO -0.02 -0.49 0.03 0.42 -2.00 0.00 0.00 174.74 172.68 3khs s ILE 133 N -3.98 0.98 -0.91 -5.38 1.01 -0.05 -4.90 121.20 107.97 3khs s ILE 133 Ca 0.33 -1.09 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 3khs s ILE 133 Cb 0.07 -1.52 0.23 0.00 0.01 0.00 0.00 42.46 41.26 3khs s ILE 133 CO 0.09 -0.36 0.85 0.21 0.00 0.00 0.00 174.94 175.73 3khs s ASN 134 N 1.61 6.77 0.17 3.58 2.47 -1.26 0.21 114.94 128.49 3khs s ASN 134 Ca 0.02 -3.06 -0.15 0.00 0.42 0.00 0.00 52.86 50.09 3khs s ASN 134 Cb -0.18 -2.16 0.10 0.00 -1.45 0.00 0.00 41.25 37.56 3khs s ASN 134 CO -0.13 -0.44 1.74 -0.07 -3.72 0.00 0.00 177.10 174.47 3khs h LEU 135 N 7.26 0.08 -1.60 3.21 3.38 -1.86 -2.16 115.31 123.62 3khs h LEU 135 Ca 0.12 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3khs h LEU 135 Cb 0.97 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3khs h LEU 135 CO 0.84 0.08 0.27 -0.65 0.09 0.00 0.00 178.44 179.07 3khs h PRO 136 N 0.26 0.54 0.00 1.13 0.11 -1.87 -1.70 132.00 130.47 3khs h PRO 136 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3khs h PRO 136 Cb 0.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3khs h PRO 136 CO -0.22 0.36 0.00 0.78 -0.21 0.00 0.00 178.00 178.70 3khs h GLY 137 N 0.55 0.00 1.18 -0.55 0.00 -1.42 -0.82 103.07 102.02 3khs h GLY 137 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3khs h GLY 137 CO -0.03 0.00 -0.81 1.41 0.00 0.00 0.00 176.54 177.11 3khs h LEU 138 N 0.00 0.00 -5.82 3.11 3.38 -1.00 -3.40 115.31 111.59 3khs h LEU 138 Ca 0.00 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 3khs h LEU 138 Cb 0.53 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.88 3khs h LEU 138 CO 0.00 0.00 -1.01 0.00 0.09 0.00 0.00 178.44 177.52 3khs n ALA 139 N -2.16 2.86 -0.16 1.53 0.00 -0.99 -4.96 120.51 116.63 3khs n ALA 139 Ca 0.01 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.63 3khs n ALA 139 Cb 0.54 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3khs n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khs n GLY 140 N 0.27 0.86 2.49 0.00 0.00 -1.23 -4.96 105.19 102.62 3khs n GLY 140 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 3khs n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khs n ALA 141 N -1.51 0.95 -2.71 4.61 0.00 -0.35 -5.04 120.51 116.47 3khs n ALA 141 Ca 0.00 -2.44 -0.38 0.00 0.00 0.00 0.00 53.44 50.63 3khs n ALA 141 Cb 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 3khs n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3khs s ASN 142 N -1.93 6.69 0.26 0.00 3.84 -1.25 -3.43 114.94 119.12 3khs s ASN 142 Ca 0.30 0.82 0.20 0.00 0.21 0.00 0.00 52.86 54.39 3khs s ASN 142 Cb 0.34 -2.29 0.98 0.00 -0.55 0.00 0.00 41.25 39.73 3khs s ASN 142 CO -0.06 0.01 1.60 -0.81 -2.79 0.00 0.00 177.10 175.06 3khs n PRO 143 N 3.59 0.14 0.00 0.43 -0.04 -1.26 -1.42 135.00 136.44 3khs n PRO 143 Ca -0.07 0.55 0.10 0.00 -0.04 0.00 0.00 63.50 64.03 3khs n PRO 143 Cb 0.52 -1.87 0.02 0.00 -0.04 0.00 0.00 33.50 32.13 3khs n PRO 143 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3khs n LEU 144 N -2.14 2.14 -4.69 1.53 4.77 -1.26 -4.12 117.00 113.23 3khs n LEU 144 Ca -0.00 -0.83 -0.44 0.00 -0.03 0.00 0.00 56.01 54.71 3khs n LEU 144 Cb 0.09 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3khs n LEU 144 CO 0.12 0.39 1.08 0.41 -1.33 0.00 0.00 177.39 178.05 3khs n THR 145 N 0.31 0.94 0.00 -5.08 -1.04 -0.50 -4.73 114.28 104.17 3khs n THR 145 Ca 0.09 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3khs n THR 145 Cb 0.45 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 3khs n THR 145 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3khs n GLY 146 N 2.21 0.37 3.77 3.41 0.00 -1.26 -4.96 105.19 108.73 3khs n GLY 146 Ca 0.11 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 3khs n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3khs s PRO 147 N -0.37 3.57 -0.11 1.61 0.04 -1.26 -5.04 135.00 133.43 3khs s PRO 147 Ca 0.00 1.70 0.03 0.00 0.04 0.00 0.00 61.00 62.76 3khs s PRO 147 Cb 0.00 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3khs s PRO 147 CO 0.00 -0.69 -0.20 1.21 0.04 0.00 0.00 177.00 177.36 3khs s ASN 148 N -1.56 3.45 -0.70 6.66 2.47 -1.26 -5.03 114.94 118.97 3khs s ASN 148 Ca 0.68 -0.47 -0.26 0.00 0.42 0.00 0.00 52.86 53.23 3khs s ASN 148 Cb -0.26 -1.46 0.04 0.00 -1.45 0.00 0.00 41.25 38.12 3khs s ASN 148 CO 0.31 0.17 1.20 -0.62 -3.72 0.00 0.00 177.10 174.44 3khs s ASP 149 N 0.31 6.21 0.00 -4.21 -1.08 -1.26 -4.87 116.67 111.76 3khs s ASP 149 Ca -0.15 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 3khs s ASP 149 Cb -0.17 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 3khs s ASP 149 CO 0.07 -1.70 0.86 0.47 0.52 0.00 0.00 175.17 175.39 3khs n ASP 150 N 8.90 0.00 -0.00 -0.34 8.00 -1.26 0.09 116.55 131.94 3khs n ASP 150 Ca 0.03 0.37 0.10 0.00 0.71 0.00 0.00 54.79 55.99 3khs n ASP 150 Cb 0.48 -0.37 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 3khs n ASP 150 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3khs n THR 151 N -1.36 0.00 -0.06 -3.53 -1.04 -1.26 -4.20 114.28 102.83 3khs n THR 151 Ca 0.00 -0.05 -0.06 0.00 -2.04 0.00 0.00 64.05 61.90 3khs n THR 151 Cb 0.11 0.85 -0.15 0.00 -1.82 0.00 0.00 70.33 69.32 3khs n THR 151 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3khs n GLU 152 N -1.57 0.67 0.00 -2.82 4.71 0.11 -5.07 120.64 116.67 3khs n GLU 152 Ca 0.03 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 3khs n GLU 152 Cb 0.35 -1.59 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 3khs n GLU 152 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3khs n GLY 153 N 1.62 -0.19 3.76 0.62 0.00 -1.00 -4.65 105.19 105.35 3khs n GLY 153 Ca -0.24 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 3khs n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khs s GLU 154 N -2.00 3.09 0.05 1.61 0.41 -1.26 -4.25 118.70 116.35 3khs s GLU 154 Ca 0.00 1.66 -0.20 0.00 -0.41 0.00 0.00 54.97 56.03 3khs s GLU 154 Cb 0.00 -1.96 -0.14 0.00 -1.78 0.00 0.00 34.13 30.25 3khs s GLU 154 CO 0.00 -1.07 1.35 -0.09 -0.49 0.00 0.00 175.26 174.96 3khs h ARG 155 N 0.86 0.40 -2.77 1.61 1.12 -1.94 -3.34 114.38 110.32 3khs h ARG 155 Ca -0.50 -0.21 -0.65 0.00 -1.11 0.00 0.00 59.98 57.51 3khs h ARG 155 Cb 1.27 0.01 -0.39 0.00 -0.01 0.00 0.00 29.97 30.85 3khs h ARG 155 CO 0.56 0.77 -0.32 1.19 -3.11 0.00 0.00 179.97 179.05 3khs n PHE 156 N -4.52 3.54 -2.01 2.20 3.72 -1.26 -5.06 117.46 114.06 3khs n PHE 156 Ca -0.06 -4.03 -0.41 0.00 -0.05 0.00 0.00 57.45 52.90 3khs n PHE 156 Cb 0.38 -0.78 -0.02 0.00 -0.94 0.00 0.00 39.48 38.11 3khs n PHE 156 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3khs s PRO 157 N -2.00 4.27 0.25 -1.08 0.04 -1.26 -4.99 135.00 130.24 3khs s PRO 157 Ca 0.32 2.32 -0.30 0.00 0.04 0.00 0.00 61.00 63.39 3khs s PRO 157 Cb 0.04 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 3khs s PRO 157 CO -0.07 -0.34 1.04 0.45 0.04 0.00 0.00 177.00 178.11 3khs s SER 158 N -0.11 7.42 -0.19 6.66 0.15 -1.26 -4.94 113.70 121.44 3khs s SER 158 Ca 0.53 2.13 0.15 0.00 0.70 0.00 0.00 55.95 59.46 3khs s SER 158 Cb -0.42 -2.62 0.40 0.00 -1.71 0.00 0.00 66.02 61.68 3khs s SER 158 CO 0.51 -0.03 1.27 0.23 1.20 0.00 0.00 173.24 176.43 3khs n MET 159 N 1.41 1.75 0.19 5.44 2.81 -1.26 -4.73 117.12 122.73 3khs n MET 159 Ca -0.01 -2.92 0.04 0.00 -1.81 0.00 0.00 57.70 53.00 3khs n MET 159 Cb 0.46 -1.65 0.38 0.00 -0.71 0.00 0.00 33.22 31.70 3khs n MET 159 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3khs h THR 160 N 0.75 1.11 -2.03 2.03 2.02 -2.04 -3.33 112.91 111.42 3khs h THR 160 Ca 0.04 -1.32 -0.50 0.00 0.77 0.00 0.00 66.41 65.40 3khs h THR 160 Cb 1.20 1.74 -0.40 0.00 -1.74 0.00 0.00 68.15 68.94 3khs h THR 160 CO 0.11 0.36 -1.11 -1.20 0.37 0.00 0.00 175.52 174.04 3khs n SER 161 N -3.88 1.39 -0.33 4.18 7.64 -1.26 -4.94 113.62 116.43 3khs n SER 161 Ca -0.01 -3.11 0.01 0.00 1.01 0.00 0.00 58.87 56.76 3khs n SER 161 Cb 0.43 -0.61 0.14 0.00 -1.01 0.00 0.00 64.21 63.16 3khs n SER 161 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3khs h VAL 162 N 1.32 1.07 -3.18 0.44 2.07 -1.90 -3.38 116.25 112.68 3khs h VAL 162 Ca 0.10 -0.36 -0.75 0.00 0.82 0.00 0.00 66.70 66.52 3khs h VAL 162 Cb 0.90 -0.06 -0.23 0.00 -1.52 0.00 0.00 31.29 30.38 3khs h VAL 162 CO 0.55 0.19 -0.27 -0.31 0.02 0.00 0.00 177.57 177.75 3khs s TYR 163 N -6.06 3.25 -0.44 1.57 2.02 -1.26 -4.12 117.35 112.31 3khs s TYR 163 Ca -0.13 -1.14 -0.44 0.00 -0.37 0.00 0.00 57.07 55.00 3khs s TYR 163 Cb 0.19 -3.53 -0.18 0.00 -0.40 0.00 0.00 41.96 38.04 3khs s TYR 163 CO 0.80 -0.92 1.82 -3.47 -1.57 0.00 0.00 175.55 172.20 3khs n ASP 164 N 5.23 1.41 -0.26 2.29 2.03 -0.93 -4.85 116.55 121.47 3khs n ASP 164 Ca -0.13 0.97 0.04 0.00 0.52 0.00 0.00 54.79 56.19 3khs n ASP 164 Cb 0.42 -0.97 0.26 0.00 -0.72 0.00 0.00 41.12 40.11 3khs n ASP 164 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3khs h LYS 165 N 7.09 0.94 -0.13 -0.67 1.57 -1.91 -1.56 116.57 121.91 3khs h LYS 165 Ca -0.34 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 3khs h LYS 165 Cb 1.37 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 3khs h LYS 165 CO 1.01 0.62 -0.01 1.15 -0.57 0.00 0.00 179.45 181.65 3khs h THR 166 N 0.97 1.27 -0.37 -0.16 2.02 -1.98 -2.01 112.91 112.65 3khs h THR 166 Ca 0.35 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3khs h THR 166 Cb 0.13 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3khs h THR 166 CO -0.11 0.25 0.20 -0.07 0.37 0.00 0.00 175.52 176.16 3khs h LEU 167 N -0.05 0.44 -0.14 2.58 3.38 -1.81 -1.24 115.31 118.46 3khs h LEU 167 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3khs h LEU 167 Cb 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3khs h LEU 167 CO 0.01 0.35 0.05 0.03 0.09 0.00 0.00 178.44 178.97 3khs h ARG 168 N 0.50 0.22 -0.60 1.13 3.08 -1.11 -0.84 114.38 116.75 3khs h ARG 168 Ca 0.13 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.22 3khs h ARG 168 Cb 0.01 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 3khs h ARG 168 CO -0.02 0.33 0.25 0.87 -1.07 0.00 0.00 179.97 180.33 3khs h LYS 169 N 0.06 0.45 -0.76 0.04 1.57 -0.59 0.13 116.57 117.46 3khs h LYS 169 Ca 0.05 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3khs h LYS 169 Cb 0.20 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 3khs h LYS 169 CO -0.00 0.30 0.48 1.88 -0.57 0.00 0.00 179.45 181.53 3khs h TYR 170 N 0.46 0.90 -0.22 -1.35 0.05 -0.96 -1.27 116.97 114.57 3khs h TYR 170 Ca 0.30 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.08 3khs h TYR 170 Cb 0.32 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3khs h TYR 170 CO -0.14 0.52 0.05 0.00 -1.05 0.00 0.00 178.16 177.54 3khs h ALA 171 N 1.31 0.30 -0.30 3.88 0.00 0.48 0.90 119.26 125.83 3khs h ALA 171 Ca 0.30 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3khs h ALA 171 Cb -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3khs h ALA 171 CO -0.11 -0.04 0.14 0.82 0.00 0.00 0.00 179.25 180.06 3khs h ILE 172 N 0.18 0.98 -0.56 0.00 1.08 -0.63 -1.16 117.51 117.39 3khs h ILE 172 Ca 0.07 -0.10 -0.08 0.00 -0.39 0.00 0.00 64.86 64.36 3khs h ILE 172 Cb 0.29 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 3khs h ILE 172 CO 0.00 0.05 0.03 -1.28 -0.69 0.00 0.00 178.15 176.26 3khs h SER 173 N 0.30 0.91 -0.09 1.72 0.87 -1.18 -1.45 113.55 114.64 3khs h SER 173 Ca 0.13 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 3khs h SER 173 Cb 0.05 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3khs h SER 173 CO -0.10 0.95 -0.15 0.00 -0.53 0.00 0.00 176.83 177.00 3khs h ALA 174 N 1.15 1.26 -0.02 6.23 0.00 -0.48 0.10 119.26 127.50 3khs h ALA 174 Ca 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3khs h ALA 174 Cb 0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3khs h ALA 174 CO 0.02 0.49 -0.01 0.00 0.00 0.00 0.00 179.25 179.75 3khs h ALA 175 N 1.44 0.03 0.19 0.00 0.00 -0.77 -1.19 119.26 118.95 3khs h ALA 175 Ca 0.07 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3khs h ALA 175 Cb 0.51 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3khs h ALA 175 CO 0.03 -0.27 -0.38 -0.09 0.00 0.00 0.00 179.25 178.53 3khs h ARG 176 N -0.31 -0.64 -0.95 0.00 2.43 -0.97 0.09 114.38 114.03 3khs h ARG 176 Ca 0.01 0.04 0.26 0.00 -0.81 0.00 0.00 59.98 59.48 3khs h ARG 176 Cb 0.38 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 3khs h ARG 176 CO 0.00 -0.42 0.67 1.49 -1.51 0.00 0.00 179.97 180.20 3khs h GLU 177 N -0.66 0.09 -0.02 0.20 4.81 -0.74 0.42 114.58 118.69 3khs h GLU 177 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3khs h GLU 177 Cb 0.66 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3khs h GLU 177 CO -0.18 0.06 -0.08 1.28 -0.73 0.00 0.00 179.01 179.36 3khs n LEU 178 N -4.32 1.67 0.00 1.64 4.77 -0.46 -4.95 117.00 115.36 3khs n LEU 178 Ca 0.20 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3khs n LEU 178 Cb 0.96 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 3khs n LEU 178 CO 0.37 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3khs n GLY 179 N 1.25 0.63 0.15 -0.72 0.00 0.15 -4.97 105.19 101.68 3khs n GLY 179 Ca 0.16 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.47 3khs n GLY 179 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3khs n MET 180 N -1.42 2.37 0.05 1.61 2.81 -0.09 -4.76 117.12 117.69 3khs n MET 180 Ca 0.00 -2.03 0.18 0.00 -1.81 0.00 0.00 57.70 54.04 3khs n MET 180 Cb 0.31 -1.26 0.69 0.00 -0.71 0.00 0.00 33.22 32.25 3khs n MET 180 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3khs h SER 181 N 0.31 0.00 1.60 7.83 4.64 -1.81 -0.66 113.55 125.46 3khs h SER 181 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3khs h SER 181 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3khs h SER 181 CO 0.02 0.00 -0.07 1.88 -0.87 0.00 0.00 176.83 177.78 3khs h TYR 182 N 0.00 0.00 -0.27 4.77 0.05 -1.94 -3.22 116.97 116.36 3khs h TYR 182 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 3khs h TYR 182 Cb 0.83 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.57 3khs h TYR 182 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 3khs n ALA 183 N -1.91 2.27 -3.37 3.88 0.00 -0.35 -4.94 120.51 116.09 3khs n ALA 183 Ca 0.05 -0.99 -0.32 0.00 0.00 0.00 0.00 53.44 52.17 3khs n ALA 183 Cb 0.47 -0.45 -0.16 0.00 0.00 0.00 0.00 19.45 19.31 3khs n ALA 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3khs s THR 184 N -1.00 2.20 0.51 0.00 2.01 -0.65 -0.24 115.64 118.47 3khs s THR 184 Ca 0.22 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.27 3khs s THR 184 Cb 0.12 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 3khs s THR 184 CO 0.16 0.55 0.02 -1.00 -0.69 0.00 0.00 174.62 173.66 3khs s HIS 185 N 0.54 1.82 -0.08 4.92 0.09 0.63 -4.90 115.29 118.30 3khs s HIS 185 Ca -0.13 -1.01 -0.02 0.00 -0.00 0.00 0.00 55.06 53.89 3khs s HIS 185 Cb -0.17 -1.55 0.03 0.00 -0.00 0.00 0.00 32.58 30.90 3khs s HIS 185 CO 0.04 0.15 0.03 -2.00 -0.00 0.00 0.00 174.74 172.97 3khs s GLU 186 N -3.86 0.36 0.00 1.40 2.12 -1.26 -0.42 118.70 117.04 3khs s GLU 186 Ca 0.06 0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.53 3khs s GLU 186 Cb 0.01 -0.98 0.00 0.00 0.26 0.00 0.00 34.13 33.42 3khs s GLU 186 CO 0.04 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 3khs n GLY 187 N 5.20 2.39 3.67 -1.50 0.00 -0.51 -4.91 105.19 109.52 3khs n GLY 187 Ca -0.06 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 3khs n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khs s VAL 188 N -2.83 5.18 -0.24 1.61 1.01 -1.26 -1.05 120.40 122.81 3khs s VAL 188 Ca 0.00 0.79 -0.14 0.00 0.00 0.00 0.00 61.98 62.63 3khs s VAL 188 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3khs s VAL 188 CO 0.00 0.24 0.32 -0.47 0.00 0.00 0.00 175.10 175.19 3khs s TYR 189 N 1.34 3.31 -0.25 5.22 5.04 -0.12 -1.29 117.35 130.59 3khs s TYR 189 Ca 0.21 0.42 -0.09 0.00 -2.44 0.00 0.00 57.07 55.17 3khs s TYR 189 Cb -0.15 -2.47 -0.04 0.00 0.35 0.00 0.00 41.96 39.64 3khs s TYR 189 CO 0.08 -0.08 0.13 0.00 -1.34 0.00 0.00 175.55 174.35 3khs s VAL 192 N 0.64 1.81 0.11 0.00 -7.23 -0.70 -2.25 120.40 112.77 3khs s VAL 192 Ca 0.09 -2.15 -0.18 0.00 -1.81 0.00 0.00 61.98 57.94 3khs s VAL 192 Cb -0.12 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 3khs s VAL 192 CO 0.01 -0.26 1.63 -1.13 -0.31 0.00 0.00 175.10 175.04 3khs h ASN 193 N 2.20 0.40 -3.96 4.85 -1.24 -1.91 -3.39 115.58 112.54 3khs h ASN 193 Ca -0.41 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.42 3khs h ASN 193 Cb 1.24 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 40.18 3khs h ASN 193 CO 0.68 0.48 -0.00 0.61 -1.29 0.00 0.00 177.43 177.91 3khs n GLY 194 N -0.68 -2.12 0.10 1.57 0.00 -1.26 -3.63 105.19 99.17 3khs n GLY 194 Ca -0.02 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.69 3khs n GLY 194 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3khs n PRO 195 N -0.20 0.41 -2.60 1.61 -0.04 -1.26 -4.77 135.00 128.14 3khs n PRO 195 Ca 0.00 -0.21 -0.39 0.00 -0.04 0.00 0.00 63.50 62.86 3khs n PRO 195 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 3khs n PRO 195 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3khs s SER 196 N -2.73 7.32 0.74 3.54 1.04 -1.26 -5.02 113.70 117.33 3khs s SER 196 Ca 0.19 2.09 -0.11 0.00 0.48 0.00 0.00 55.95 58.60 3khs s SER 196 Cb 0.19 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.73 3khs s SER 196 CO 0.58 -0.09 1.08 -0.36 0.98 0.00 0.00 173.24 175.42 3khs s PHE 197 N -1.29 2.87 0.55 5.02 0.08 -1.26 -5.00 117.98 118.95 3khs s PHE 197 Ca 0.46 1.41 -0.15 0.00 0.12 0.00 0.00 56.93 58.77 3khs s PHE 197 Cb -0.27 -2.98 -0.06 0.00 -0.57 0.00 0.00 43.02 39.14 3khs s PHE 197 CO 0.34 -1.54 1.01 -1.83 -0.10 0.00 0.00 175.22 173.11 3khs s GLU 198 N -5.01 3.72 0.80 0.44 1.03 -1.26 -5.05 118.70 113.36 3khs s GLU 198 Ca 0.60 0.99 -0.12 0.00 0.03 0.00 0.00 54.97 56.47 3khs s GLU 198 Cb -0.15 -2.10 0.07 0.00 -0.80 0.00 0.00 34.13 31.15 3khs s GLU 198 CO 0.55 -0.47 1.10 0.95 -1.33 0.00 0.00 175.26 176.07 3khs s THR 199 N -2.67 3.04 0.26 1.83 -4.23 -1.26 -4.79 115.64 107.81 3khs s THR 199 Ca 0.59 0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 61.39 3khs s THR 199 Cb -0.12 -3.11 0.26 0.00 1.34 0.00 0.00 72.50 70.88 3khs s THR 199 CO 0.36 -0.44 1.92 -0.65 -0.54 0.00 0.00 174.62 175.27 3khs h PRO 200 N -1.07 1.28 -0.17 3.99 0.11 -1.93 0.44 132.00 134.65 3khs h PRO 200 Ca -0.47 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 3khs h PRO 200 Cb 1.27 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3khs h PRO 200 CO 0.60 0.85 -0.08 0.00 -0.21 0.00 0.00 178.00 179.16 3khs h ALA 201 N 1.39 1.55 -0.06 -0.75 0.00 -1.92 -1.23 119.26 118.25 3khs h ALA 201 Ca 0.38 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 3khs h ALA 201 Cb -0.08 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3khs h ALA 201 CO -0.10 0.32 -0.93 0.93 0.00 0.00 0.00 179.25 179.47 3khs h GLU 202 N 0.25 0.70 -1.00 0.00 5.08 -1.58 -2.97 114.58 115.07 3khs h GLU 202 Ca 0.06 -0.68 0.02 0.00 -1.00 0.00 0.00 59.36 57.76 3khs h GLU 202 Cb 0.30 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 3khs h GLU 202 CO 0.01 1.27 0.66 0.00 -1.00 0.00 0.00 179.01 179.95 3khs h LYS 204 N 1.31 0.73 -0.86 0.00 1.57 -1.20 -1.25 116.57 116.87 3khs h LYS 204 Ca 0.38 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 3khs h LYS 204 Cb -0.09 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.02 3khs h LYS 204 CO -0.10 0.49 0.45 0.82 -0.57 0.00 0.00 179.45 180.55 3khs h ILE 205 N 0.75 1.25 -0.30 1.86 2.04 -0.99 -0.19 117.51 121.93 3khs h ILE 205 Ca 0.20 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 3khs h ILE 205 Cb -0.07 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 3khs h ILE 205 CO -0.04 0.29 0.03 -0.07 0.00 0.00 0.00 178.15 178.36 3khs h LEU 206 N 1.21 0.41 -0.15 1.44 4.07 -0.42 -0.25 115.31 121.62 3khs h LEU 206 Ca 0.30 -0.06 -0.18 0.00 0.08 0.00 0.00 57.88 58.01 3khs h LEU 206 Cb 0.06 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 41.70 3khs h LEU 206 CO -0.04 0.46 -0.62 0.03 -1.08 0.00 0.00 178.44 177.18 3khs h ARG 207 N 0.44 0.68 0.00 1.13 3.08 -0.56 -2.15 114.38 116.99 3khs h ARG 207 Ca 0.10 -0.54 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 3khs h ARG 207 Cb 0.25 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3khs h ARG 207 CO 0.00 1.16 -0.04 1.25 -1.07 0.00 0.00 179.97 181.27 3khs h LEU 208 N 0.37 0.00 -0.13 3.04 5.85 -0.27 -0.41 115.31 123.75 3khs h LEU 208 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3khs h LEU 208 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3khs h LEU 208 CO 0.13 0.04 -0.08 0.23 -0.34 0.00 0.00 178.44 178.42 3khs n MET 209 N -3.86 0.55 -0.69 1.25 2.81 -0.18 -4.91 117.12 112.10 3khs n MET 209 Ca -0.03 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 3khs n MET 209 Cb 0.13 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3khs n MET 209 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3khs n GLY 210 N 1.29 1.13 3.76 3.03 0.00 -0.16 -5.07 105.19 109.18 3khs n GLY 210 Ca 0.14 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 3khs n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khs s SER 211 N -2.41 7.40 -0.13 1.61 0.01 -0.84 -4.71 113.70 114.63 3khs s SER 211 Ca 0.00 1.67 0.19 0.00 1.31 0.00 0.00 55.95 59.12 3khs s SER 211 Cb 0.00 -2.52 -0.28 0.00 0.21 0.00 0.00 66.02 63.43 3khs s SER 211 CO 0.00 0.13 0.25 0.47 0.41 0.00 0.00 173.24 174.50 3khs n ASP 212 N 1.95 0.03 -3.62 2.44 8.00 -0.41 -4.49 116.55 120.45 3khs n ASP 212 Ca -0.04 0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 3khs n ASP 212 Cb 0.49 1.34 -0.06 0.00 -0.02 0.00 0.00 41.12 42.87 3khs n ASP 212 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3khs s ALA 213 N -2.89 -1.15 -0.03 2.24 0.00 -1.07 -0.64 121.76 118.22 3khs s ALA 213 Ca -0.09 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.30 3khs s ALA 213 Cb 0.09 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.61 3khs s ALA 213 CO 0.86 -0.50 -0.10 0.54 0.00 0.00 0.00 175.76 176.56 3khs s VAL 214 N -2.59 0.86 0.36 0.00 0.11 0.11 -0.62 120.40 118.63 3khs s VAL 214 Ca -0.05 -0.39 -0.02 0.00 -2.93 0.00 0.00 61.98 58.59 3khs s VAL 214 Cb -0.01 -0.77 0.01 0.00 -1.53 0.00 0.00 36.38 34.08 3khs s VAL 214 CO -0.03 0.27 0.51 -0.83 -3.33 0.00 0.00 175.10 171.69 3khs s GLY 215 N 0.25 1.51 -0.30 6.54 0.00 -0.64 -1.38 107.32 113.29 3khs s GLY 215 Ca -0.04 -1.52 0.08 0.00 0.00 0.00 0.00 44.72 43.23 3khs s GLY 215 CO 0.01 -0.97 1.39 1.03 0.00 0.00 0.00 173.10 174.56 3khs n MET 216 N -0.59 2.26 0.00 2.90 2.81 -1.26 -1.73 117.12 121.51 3khs n MET 216 Ca 0.00 -3.46 0.00 0.00 -1.81 0.00 0.00 57.70 52.43 3khs n MET 216 Cb 0.61 -1.92 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3khs n MET 216 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3khs n SER 217 N -1.01 0.00 0.00 7.83 3.41 -1.26 -4.56 113.62 118.03 3khs n SER 217 Ca 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 3khs n SER 217 Cb 0.92 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 3khs n SER 217 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3khs n THR 218 N 0.00 0.00 -0.03 6.66 -1.04 -1.26 -4.50 114.28 114.11 3khs n THR 218 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3khs n THR 218 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3khs n THR 218 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3khs h ALA 219 N 0.00 0.13 -0.02 2.41 0.00 -1.96 -0.76 119.26 119.07 3khs h ALA 219 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3khs h ALA 219 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3khs h ALA 219 CO 0.00 -0.46 -0.25 -1.00 0.00 0.00 0.00 179.25 177.54 3khs h PRO 220 N 0.03 0.03 -0.43 0.00 0.13 -1.99 -1.58 132.00 128.20 3khs h PRO 220 Ca 0.08 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 65.07 3khs h PRO 220 Cb 0.11 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 3khs h PRO 220 CO -0.16 0.28 -0.28 0.93 -0.23 0.00 0.00 178.00 178.55 3khs h GLU 221 N 0.03 0.93 0.00 0.86 5.08 -1.73 -2.70 114.58 117.05 3khs h GLU 221 Ca 0.00 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 3khs h GLU 221 Cb 0.46 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3khs h GLU 221 CO 0.03 1.08 -0.42 1.79 -1.00 0.00 0.00 179.01 180.50 3khs h THR 222 N 0.79 0.86 -0.38 1.13 1.35 -0.87 -0.46 112.91 115.33 3khs h THR 222 Ca 0.09 -1.77 -0.04 0.00 -0.55 0.00 0.00 66.41 64.13 3khs h THR 222 Cb 0.85 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 3khs h THR 222 CO 0.07 0.41 0.06 0.40 -0.25 0.00 0.00 175.52 176.22 3khs h ILE 223 N 0.00 1.24 -0.21 6.82 2.04 -1.14 -0.67 117.51 125.59 3khs h ILE 223 Ca -0.00 -0.84 -0.12 0.00 1.00 0.00 0.00 64.86 64.90 3khs h ILE 223 Cb 1.08 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3khs h ILE 223 CO 0.05 0.29 -0.33 0.58 0.00 0.00 0.00 178.15 178.74 3khs h VAL 224 N 0.47 1.33 0.07 1.67 2.07 -1.34 -2.07 116.25 118.44 3khs h VAL 224 Ca 0.11 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 66.11 3khs h VAL 224 Cb 0.36 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3khs h VAL 224 CO 0.01 0.48 -0.14 0.00 0.02 0.00 0.00 177.57 177.93 3khs h ALA 225 N 0.62 -0.22 -0.82 1.67 0.00 -1.05 -0.42 119.26 119.04 3khs h ALA 225 Ca 0.02 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3khs h ALA 225 Cb 0.91 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 3khs h ALA 225 CO 0.08 -0.66 0.50 -0.22 0.00 0.00 0.00 179.25 178.95 3khs h LYS 226 N -0.27 0.90 -0.07 0.00 1.63 -1.14 0.73 116.57 118.34 3khs h LYS 226 Ca 0.03 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 3khs h LYS 226 Cb 0.30 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3khs h LYS 226 CO -0.09 0.59 -0.22 1.25 -3.45 0.00 0.00 179.45 177.53 3khs h HIS 227 N 0.92 0.13 -0.22 1.91 2.76 -0.95 -2.13 115.15 117.57 3khs h HIS 227 Ca 0.36 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 3khs h HIS 227 Cb 0.16 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3khs h HIS 227 CO -0.04 0.34 0.00 0.41 -1.30 0.00 0.00 177.93 177.34 3khs n GLY 228 N -0.77 1.87 2.34 5.26 0.00 0.15 -4.54 105.19 109.50 3khs n GLY 228 Ca -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 3khs n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khs n GLY 229 N 0.31 0.49 3.93 -0.02 0.00 -0.80 -4.98 105.19 104.12 3khs n GLY 229 Ca 0.10 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3khs n GLY 229 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3khs s MET 230 N -1.25 3.51 -0.06 1.61 -1.94 -0.61 -5.00 119.30 115.56 3khs s MET 230 Ca 0.00 -0.36 -0.12 0.00 -1.71 0.00 0.00 55.69 53.50 3khs s MET 230 Cb 0.00 -2.79 -0.05 0.00 2.01 0.00 0.00 34.83 34.00 3khs s MET 230 CO 0.00 0.33 0.30 1.03 -0.01 0.00 0.00 175.02 176.67 3khs s ARG 231 N -3.65 3.78 0.04 2.03 0.52 -0.35 -4.02 118.95 117.30 3khs s ARG 231 Ca 0.39 0.18 0.08 0.00 -0.52 0.00 0.00 55.73 55.86 3khs s ARG 231 Cb -0.10 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 3khs s ARG 231 CO 0.31 0.67 -0.21 0.00 0.02 0.00 0.00 175.30 176.09 3khs s LEU 233 N -1.29 1.35 -0.03 0.00 2.96 -0.64 -2.19 118.68 118.84 3khs s LEU 233 Ca 0.13 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3khs s LEU 233 Cb -0.10 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.34 3khs s LEU 233 CO 0.04 -0.06 -0.06 0.00 -1.32 0.00 0.00 176.35 174.94 3khs s ALA 234 N 0.80 0.68 -0.13 5.97 0.00 -1.26 -0.01 121.76 127.81 3khs s ALA 234 Ca -0.09 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3khs s ALA 234 Cb -0.12 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.71 3khs s ALA 234 CO -0.01 0.07 -0.13 0.08 0.00 0.00 0.00 175.76 175.77 3khs s VAL 235 N 0.41 1.43 -0.10 0.00 1.01 0.07 -0.56 120.40 122.66 3khs s VAL 235 Ca -0.06 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 3khs s VAL 235 Cb -0.10 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 3khs s VAL 235 CO 0.00 0.43 0.28 -0.44 0.00 0.00 0.00 175.10 175.37 3khs s SER 236 N 1.34 6.53 -0.29 3.32 0.01 0.34 -2.52 113.70 122.43 3khs s SER 236 Ca 0.01 0.63 -0.18 0.00 1.31 0.00 0.00 55.95 57.72 3khs s SER 236 Cb -0.14 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 3khs s SER 236 CO -0.07 0.27 0.53 -0.22 0.41 0.00 0.00 173.24 174.16 3khs s LEU 237 N -0.50 4.14 -0.94 2.44 1.98 0.90 0.01 118.68 126.71 3khs s LEU 237 Ca 0.18 0.35 -0.24 0.00 -2.89 0.00 0.00 54.13 51.53 3khs s LEU 237 Cb -0.14 -2.66 0.03 0.00 0.66 0.00 0.00 46.19 44.09 3khs s LEU 237 CO 0.07 -0.37 1.48 -0.63 -1.89 0.00 0.00 176.35 175.01 3khs s ILE 238 N 2.38 3.82 0.16 6.68 -1.09 0.45 -0.96 121.20 132.62 3khs s ILE 238 Ca 0.21 -0.47 0.21 0.00 -2.23 0.00 0.00 60.65 58.37 3khs s ILE 238 Cb -0.15 -4.89 0.18 0.00 -1.58 0.00 0.00 42.46 36.01 3khs s ILE 238 CO 0.11 -1.79 1.77 0.77 -1.23 0.00 0.00 174.94 174.57 3khs h SER 239 N 10.14 0.00 -5.12 3.58 4.64 -1.61 0.15 113.55 125.34 3khs h SER 239 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3khs h SER 239 Cb 1.02 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.01 3khs h SER 239 CO 1.37 0.31 -0.02 0.54 -0.87 0.00 0.00 176.83 178.16 3khs s ASN 240 N -6.35 -0.21 0.02 4.97 4.22 -1.25 -4.63 114.94 111.72 3khs s ASN 240 Ca 0.00 -0.57 0.03 0.00 -2.14 0.00 0.00 52.86 50.19 3khs s ASN 240 Cb 0.11 0.56 -0.02 0.00 1.28 0.00 0.00 41.25 43.19 3khs s ASN 240 CO 0.67 -1.04 -0.10 -0.69 -2.04 0.00 0.00 177.10 173.89 3khs s VAL 241 N -3.90 0.75 -0.10 3.54 1.01 -1.26 -0.40 120.40 120.04 3khs s VAL 241 Ca 0.11 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 3khs s VAL 241 Cb -0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 3khs s VAL 241 CO -0.01 -0.02 0.35 -0.63 0.00 0.00 0.00 175.10 174.79 3khs s ILE 242 N -0.68 5.22 1.06 2.22 1.09 -0.04 -4.90 121.20 125.18 3khs s ILE 242 Ca -0.01 0.69 -0.14 0.00 -1.10 0.00 0.00 60.65 60.10 3khs s ILE 242 Cb -0.06 -3.68 0.22 0.00 -1.06 0.00 0.00 42.46 37.88 3khs s ILE 242 CO 0.00 0.45 1.09 0.00 -0.10 0.00 0.00 174.94 176.38 3khs s ALA 243 N -0.05 0.67 0.48 9.38 0.00 -1.10 -4.81 121.76 126.34 3khs s ALA 243 Ca 0.20 -0.46 0.15 0.00 0.00 0.00 0.00 51.96 51.86 3khs s ALA 243 Cb -0.14 -3.08 1.15 0.00 0.00 0.00 0.00 23.12 21.05 3khs s ALA 243 CO 0.08 -3.13 2.06 0.66 0.00 0.00 0.00 175.76 175.43 3khs h SER 244 N -2.13 0.18 0.00 0.00 4.64 -1.95 -0.17 113.55 114.13 3khs h SER 244 Ca -0.54 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3khs h SER 244 Cb 1.33 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3khs h SER 244 CO 0.53 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 176.16 3khs n ASN 245 N -4.48 0.00 -2.28 4.97 6.94 -1.26 -4.90 115.26 114.25 3khs n ASN 245 Ca 0.04 -0.91 -0.09 0.00 -0.02 0.00 0.00 54.58 53.60 3khs n ASN 245 Cb 0.25 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.72 3khs n ASN 245 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3khs n GLU 247 N -2.65 1.59 0.00 0.00 1.02 -1.26 -4.06 120.64 115.28 3khs n GLU 247 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 3khs n GLU 247 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 3khs n GLU 247 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3khs n GLU 256 N 0.00 0.00 0.21 3.49 4.07 -1.26 -2.72 120.64 124.44 3khs n GLU 256 Ca 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.17 3khs n GLU 256 Cb 0.00 0.00 0.48 0.00 -0.06 0.00 0.00 31.44 31.86 3khs n GLU 256 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3khs h VAL 257 N 0.00 0.86 -0.49 6.31 2.07 -2.06 -3.04 116.25 119.89 3khs h VAL 257 Ca 0.00 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3khs h VAL 257 Cb 0.00 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3khs h VAL 257 CO 0.00 0.27 0.21 0.25 0.02 0.00 0.00 177.57 178.32 3khs h LEU 258 N 0.00 0.63 -0.59 2.57 6.46 -2.06 -2.47 115.31 119.85 3khs h LEU 258 Ca -0.00 -0.06 0.12 0.00 -0.12 0.00 0.00 57.88 57.81 3khs h LEU 258 Cb 0.64 -0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 40.30 3khs h LEU 258 CO 0.04 0.56 -0.08 -0.09 -0.62 0.00 0.00 178.44 178.24 3khs h ARG 259 N 0.69 0.05 0.17 1.25 2.43 -1.99 -2.15 114.38 114.83 3khs h ARG 259 Ca 0.17 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3khs h ARG 259 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3khs h ARG 259 CO -0.02 0.03 -0.08 0.00 -1.51 0.00 0.00 179.97 178.39 3khs h ALA 260 N 1.56 -0.23 -0.72 2.80 0.00 -1.66 -3.29 119.26 117.73 3khs h ALA 260 Ca 0.29 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3khs h ALA 260 Cb 0.46 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 3khs h ALA 260 CO -0.56 -0.43 0.24 0.78 0.00 0.00 0.00 179.25 179.29 3khs h GLY 261 N -0.64 1.05 1.56 0.00 0.00 -1.00 -1.13 103.07 102.91 3khs h GLY 261 Ca -0.02 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 3khs h GLY 261 CO 0.04 -0.12 -0.30 0.83 0.00 0.00 0.00 176.54 176.99 3khs h GLU 262 N 0.37 0.50 -0.24 4.80 4.39 -1.52 -0.27 114.58 122.61 3khs h GLU 262 Ca 0.40 -0.21 -0.17 0.00 0.34 0.00 0.00 59.36 59.72 3khs h GLU 262 Cb 0.61 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3khs h GLU 262 CO -0.42 0.75 -0.51 1.49 -1.16 0.00 0.00 179.01 179.16 3khs h GLU 263 N 0.43 0.77 -0.46 2.33 4.81 -1.51 -1.96 114.58 119.00 3khs h GLU 263 Ca 0.06 -0.51 0.03 0.00 -0.13 0.00 0.00 59.36 58.80 3khs h GLU 263 Cb 0.74 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 3khs h GLU 263 CO 0.06 1.13 0.26 0.00 -0.73 0.00 0.00 179.01 179.73 3khs h ALA 264 N 0.64 0.58 -0.40 2.92 0.00 -1.00 -0.95 119.26 121.06 3khs h ALA 264 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3khs h ALA 264 Cb 1.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3khs h ALA 264 CO 0.11 -0.07 0.20 1.03 0.00 0.00 0.00 179.25 180.52 3khs h SER 265 N 0.52 0.28 -0.12 0.00 0.87 -0.91 0.26 113.55 114.46 3khs h SER 265 Ca 0.19 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3khs h SER 265 Cb 0.05 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3khs h SER 265 CO -0.10 0.21 0.04 0.00 -0.53 0.00 0.00 176.83 176.44 3khs h ALA 266 N 1.21 0.16 -0.31 6.23 0.00 -0.99 -0.60 119.26 124.95 3khs h ALA 266 Ca 0.17 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3khs h ALA 266 Cb 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3khs h ALA 266 CO -0.12 -0.23 0.14 0.00 0.00 0.00 0.00 179.25 179.04 3khs h ARG 267 N 0.01 0.29 -0.70 0.00 3.08 -0.92 -1.10 114.38 115.03 3khs h ARG 267 Ca 0.04 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3khs h ARG 267 Cb 0.22 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3khs h ARG 267 CO -0.00 0.19 0.30 1.98 -1.07 0.00 0.00 179.97 181.37 3khs h MET 268 N 0.30 1.04 -0.47 0.04 4.05 -0.89 -0.78 114.93 118.22 3khs h MET 268 Ca 0.13 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3khs h MET 268 Cb 0.07 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 3khs h MET 268 CO -0.11 0.85 0.28 1.15 0.23 0.00 0.00 176.91 179.31 3khs h THR 269 N 1.00 1.15 -0.23 -0.77 2.02 -0.73 -0.97 112.91 114.38 3khs h THR 269 Ca 0.24 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3khs h THR 269 Cb 0.18 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3khs h THR 269 CO -0.02 0.15 0.13 0.00 0.37 0.00 0.00 175.52 176.15 3khs h ALA 270 N 1.13 0.29 -0.22 6.16 0.00 -0.89 -1.75 119.26 123.98 3khs h ALA 270 Ca 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3khs h ALA 270 Cb -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3khs h ALA 270 CO -0.03 -0.20 0.01 1.25 0.00 0.00 0.00 179.25 180.28 3khs h LEU 271 N 0.27 -0.05 -0.77 0.00 5.85 -0.88 -0.95 115.31 118.77 3khs h LEU 271 Ca 0.08 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3khs h LEU 271 Cb 0.03 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3khs h LEU 271 CO -0.01 0.00 0.50 0.58 -0.34 0.00 0.00 178.44 179.16 3khs h VAL 272 N 0.09 1.21 -0.09 1.05 2.07 -1.08 -1.10 116.25 118.40 3khs h VAL 272 Ca 0.10 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3khs h VAL 272 Cb 0.12 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3khs h VAL 272 CO -0.16 0.20 0.04 0.11 0.02 0.00 0.00 177.57 177.78 3khs h LYS 273 N 1.05 0.14 -0.54 1.57 1.57 -0.94 -0.72 116.57 118.70 3khs h LYS 273 Ca 0.28 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3khs h LYS 273 Cb -0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3khs h LYS 273 CO -0.06 0.26 0.28 1.25 -0.57 0.00 0.00 179.45 180.61 3khs h LEU 274 N -0.02 0.67 -0.70 2.94 6.46 -1.03 -0.73 115.31 122.91 3khs h LEU 274 Ca 0.03 -0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.64 3khs h LEU 274 Cb 0.17 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 3khs h LEU 274 CO -0.00 0.56 -0.08 0.58 -0.62 0.00 0.00 178.44 178.88 3khs h VAL 275 N 0.76 1.26 -0.18 1.05 2.07 -0.89 -2.15 116.25 118.18 3khs h VAL 275 Ca 0.19 -1.19 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 3khs h VAL 275 Cb 0.05 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3khs h VAL 275 CO -0.03 0.42 -0.34 0.40 0.02 0.00 0.00 177.57 178.04 3khs h ILE 276 N 0.83 1.29 -0.14 4.57 2.04 -0.23 -1.77 117.51 124.10 3khs h ILE 276 Ca 0.14 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 3khs h ILE 276 Cb 0.61 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3khs h ILE 276 CO 0.04 0.43 0.04 -0.08 0.00 0.00 0.00 178.15 178.59 3khs h GLU 277 N 0.32 0.21 0.00 2.37 4.81 -0.65 -1.82 114.58 119.82 3khs h GLU 277 Ca 0.04 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3khs h GLU 277 Cb 0.76 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 3khs h GLU 277 CO 0.06 0.34 -0.07 0.87 -0.73 0.00 0.00 179.01 179.48 3khs h LYS 278 N 0.04 0.00 -0.17 1.92 1.57 -1.18 -2.40 116.57 116.36 3khs h LYS 278 Ca 0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 3khs h LYS 278 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3khs h LYS 278 CO -0.00 0.07 -0.66 0.82 -0.57 0.00 0.00 179.45 179.11 3khs h ILE 279 N 0.00 1.31 0.00 1.86 2.04 -0.91 -3.13 117.51 118.68 3khs h ILE 279 Ca -0.00 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 63.94 3khs h ILE 279 Cb 0.14 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3khs h ILE 279 CO 0.01 0.60 0.16 -1.14 0.00 0.00 0.00 178.15 177.78 3khs n ARG 280 N -3.93 0.00 -0.13 2.37 0.63 -0.72 0.33 116.66 115.21 3khs n ARG 280 Ca -0.05 0.33 0.10 0.00 -0.92 0.00 0.00 57.85 57.31 3khs n ARG 280 Cb 0.67 -1.66 0.30 0.00 0.45 0.00 0.00 32.46 32.23 3khs n ARG 280 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3khs n GLY 281 N -1.32 0.64 2.57 5.14 0.00 -1.18 -4.53 105.19 106.49 3khs n GLY 281 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 3khs n GLY 281 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3khs n GLU 282 N 0.58 0.59 0.00 1.61 0.28 0.15 -5.18 120.64 118.67 3khs n GLU 282 Ca 0.16 -2.40 0.00 0.00 -0.16 0.00 0.00 57.16 54.76 3khs n GLU 282 Cb 0.37 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.79 3khs n GLU 282 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25