#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 3.31 0.24 1.12 -4.23 -1.26 -4.83 115.64 109.99 3khs s THR 2 Ca 0.00 0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.77 3khs s THR 2 Cb 0.00 -3.40 0.21 0.00 1.34 0.00 0.00 72.50 70.65 3khs s THR 2 CO 0.00 -0.50 1.75 0.44 -0.54 0.00 0.00 174.62 175.76 3khs h ASP 3 N -0.60 0.36 -0.97 3.99 3.32 -1.98 0.17 116.42 120.71 3khs h ASP 3 Ca -0.45 0.09 0.04 0.00 0.02 0.00 0.00 57.03 56.73 3khs h ASP 3 Cb 1.26 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.80 3khs h ASP 3 CO 0.63 0.16 0.63 0.22 -1.72 0.00 0.00 179.24 179.17 3khs h TYR 4 N 0.51 1.18 -0.44 4.55 3.20 -1.98 0.37 116.97 124.36 3khs h TYR 4 Ca 0.40 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.28 3khs h TYR 4 Cb 0.56 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3khs h TYR 4 CO -0.14 0.68 0.20 -0.44 -1.64 0.00 0.00 178.16 176.82 3khs h ASP 5 N 1.22 0.59 0.27 -2.11 3.32 -1.11 -1.05 116.42 117.54 3khs h ASP 5 Ca 0.39 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 3khs h ASP 5 Cb 0.01 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3khs h ASP 5 CO -0.13 0.57 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.52 3khs h LEU 6 N 0.57 0.16 -0.31 1.55 3.38 -0.01 -2.35 115.31 118.30 3khs h LEU 6 Ca 0.15 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3khs h LEU 6 Cb 0.14 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3khs h LEU 6 CO -0.02 0.53 0.08 0.00 0.09 0.00 0.00 178.44 179.12 3khs h ALA 7 N 1.49 0.41 -0.96 1.53 0.00 0.12 0.09 119.26 121.94 3khs h ALA 7 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3khs h ALA 7 Cb 0.73 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3khs h ALA 7 CO 0.05 0.08 0.63 0.87 0.00 0.00 0.00 179.25 180.88 3khs h LYS 8 N 0.35 1.23 0.29 0.00 1.57 -0.97 0.20 116.57 119.23 3khs h LYS 8 Ca 0.10 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3khs h LYS 8 Cb 0.29 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3khs h LYS 8 CO 0.00 0.81 -0.14 1.49 -0.57 0.00 0.00 179.45 181.05 3khs h GLU 9 N 1.27 -0.37 -1.01 3.15 4.81 -1.15 0.23 114.58 121.51 3khs h GLU 9 Ca 0.36 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.70 3khs h GLU 9 Cb -0.09 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 3khs h GLU 9 CO -0.09 -0.15 0.65 1.15 -0.73 0.00 0.00 179.01 179.84 3khs h THR 10 N -0.54 1.03 0.14 0.32 2.02 -0.61 -0.78 112.91 114.49 3khs h THR 10 Ca -0.04 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3khs h THR 10 Cb 0.40 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3khs h THR 10 CO 0.07 0.20 -0.07 0.00 0.37 0.00 0.00 175.52 176.09 3khs h ALA 11 N 1.48 -0.19 -0.85 6.16 0.00 -0.24 -1.80 119.26 123.83 3khs h ALA 11 Ca 0.46 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.41 3khs h ALA 11 Cb 0.28 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3khs h ALA 11 CO -0.21 -0.52 0.55 0.00 0.00 0.00 0.00 179.25 179.08 3khs h ALA 12 N 0.48 1.99 -0.10 0.00 0.00 0.16 0.42 119.26 122.21 3khs h ALA 12 Ca -0.02 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3khs h ALA 12 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3khs h ALA 12 CO 0.03 -0.23 -0.61 2.35 0.00 0.00 0.00 179.25 180.79 3khs h TRP 13 N 0.55 0.45 -0.11 0.00 7.01 -0.81 -2.95 115.95 120.09 3khs h TRP 13 Ca 0.43 -0.18 -0.19 0.00 2.11 0.00 0.00 58.89 61.06 3khs h TRP 13 Cb 0.84 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 27.83 3khs h TRP 13 CO -0.00 0.87 -0.67 -0.07 -2.79 0.00 0.00 178.44 175.79 3khs h LEU 14 N 0.26 0.78 -2.58 0.65 3.38 -0.09 -3.16 115.31 114.56 3khs h LEU 14 Ca -0.01 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 3khs h LEU 14 Cb 1.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3khs h LEU 14 CO 0.10 1.31 -0.01 -1.13 0.09 0.00 0.00 178.44 178.80 3khs h ASN 15 N 0.32 0.00 -0.72 -0.43 -1.24 -0.17 -0.66 115.58 112.68 3khs h ASN 15 Ca -0.05 0.00 0.15 0.00 0.71 0.00 0.00 56.30 57.11 3khs h ASN 15 Cb 1.31 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.31 3khs h ASN 15 CO 0.14 0.01 0.49 0.11 -1.29 0.00 0.00 177.43 176.88 3khs h LYS 16 N 0.00 0.33 -0.64 6.67 1.57 -1.48 -1.01 116.57 122.01 3khs h LYS 16 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3khs h LYS 16 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3khs h LYS 16 CO 0.00 0.22 0.00 1.04 -0.57 0.00 0.00 179.45 180.14 3khs n GLN 17 N -4.46 3.89 -5.15 3.15 6.02 -0.25 -4.95 117.38 115.63 3khs n GLN 17 Ca 0.14 -2.78 -0.30 0.00 -0.01 0.00 0.00 57.00 54.05 3khs n GLN 17 Cb 0.55 -1.97 -0.16 0.00 1.02 0.00 0.00 30.24 29.69 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 -1.99 2.07 -0.11 1.08 1.43 -0.38 -5.02 118.68 115.76 3khs s LEU 18 Ca 0.49 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.98 3khs s LEU 18 Cb 0.33 -1.25 -0.27 0.00 0.03 0.00 0.00 46.19 45.03 3khs s LEU 18 CO 0.21 0.29 0.50 1.56 0.23 0.00 0.00 176.35 179.14 3khs h GLN 19 N 5.39 0.24 -4.88 1.70 4.20 -1.93 -3.46 115.11 116.37 3khs h GLN 19 Ca -0.43 -0.40 -0.58 0.00 0.06 0.00 0.00 58.65 57.30 3khs h GLN 19 Cb 1.13 0.15 -0.33 0.00 0.30 0.00 0.00 27.48 28.73 3khs h GLN 19 CO 0.47 1.19 -0.84 0.42 -0.67 0.00 0.00 178.83 179.40 3khs s ILE 20 N -2.49 1.53 0.25 2.54 1.01 -1.26 -5.12 121.20 117.67 3khs s ILE 20 Ca -0.21 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 3khs s ILE 20 Cb 0.05 -1.35 -0.09 0.00 0.01 0.00 0.00 42.46 41.07 3khs s ILE 20 CO 0.76 0.44 1.29 -0.13 0.00 0.00 0.00 174.94 177.30 3khs s ARG 21 N 0.54 4.40 0.43 2.79 0.52 -1.26 -4.97 118.95 121.41 3khs s ARG 21 Ca -0.16 2.09 -0.25 0.00 -0.52 0.00 0.00 55.73 56.89 3khs s ARG 21 Cb -0.17 -3.15 -0.08 0.00 0.52 0.00 0.00 34.95 32.07 3khs s ARG 21 CO 0.06 -0.18 1.29 -2.14 0.02 0.00 0.00 175.30 174.35 3khs s PRO 22 N -0.82 3.84 -0.01 3.54 0.02 -1.26 -4.87 135.00 135.43 3khs s PRO 22 Ca 0.53 2.12 0.06 0.00 0.02 0.00 0.00 61.00 63.73 3khs s PRO 22 Cb -0.37 -2.65 -0.09 0.00 0.02 0.00 0.00 34.50 31.41 3khs s PRO 22 CO 0.43 -0.59 0.12 1.55 -0.33 0.00 0.00 177.00 178.18 3khs n VAL 23 N -0.10 0.02 -4.93 3.83 3.14 -0.20 -3.60 118.33 116.49 3khs n VAL 23 Ca 0.05 -0.14 -0.27 0.00 -2.96 0.00 0.00 64.34 61.02 3khs n VAL 23 Cb 0.44 0.30 -0.16 0.00 -1.06 0.00 0.00 33.84 33.37 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 -3.45 1.95 0.16 6.55 0.20 -1.06 -0.37 118.68 122.67 3khs s LEU 24 Ca -0.02 -0.38 0.08 0.00 0.69 0.00 0.00 54.13 54.49 3khs s LEU 24 Cb 0.04 -1.05 -0.04 0.00 -0.43 0.00 0.00 46.19 44.70 3khs s LEU 24 CO 0.24 0.18 -0.07 -0.83 -0.29 0.00 0.00 176.35 175.57 3khs s GLY 25 N -0.03 1.74 -0.02 7.98 0.00 0.15 -1.51 107.32 115.64 3khs s GLY 25 Ca -0.03 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.30 3khs s GLY 25 CO 0.02 -1.40 0.00 -0.42 0.00 0.00 0.00 173.10 171.30 3khs s ILE 26 N -1.60 0.10 -0.19 0.90 1.01 -0.10 -0.22 121.20 121.11 3khs s ILE 26 Ca 0.25 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.97 3khs s ILE 26 Cb -0.09 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.22 3khs s ILE 26 CO 0.16 0.09 -0.19 -0.69 0.00 0.00 0.00 174.94 174.31 3khs s VAL 27 N 0.68 2.10 -0.21 2.92 1.01 -0.50 0.95 120.40 127.35 3khs s VAL 27 Ca -0.06 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 3khs s VAL 27 Cb -0.09 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3khs s VAL 27 CO -0.01 0.50 0.53 0.00 0.00 0.00 0.00 175.10 176.12 3khs n GLY 29 N 3.98 -1.51 3.67 0.00 0.00 -0.96 -3.45 105.19 106.92 3khs n GLY 29 Ca -0.04 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.22 6.55 0.00 1.61 0.01 -1.26 -2.29 113.70 117.10 3khs s SER 30 Ca 0.00 2.50 0.00 0.00 1.31 0.00 0.00 55.95 59.76 3khs s SER 30 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3khs s SER 30 CO 0.00 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.29 3khs n GLY 31 N 4.25 0.35 1.32 3.44 0.00 -1.26 -4.59 105.19 108.70 3khs n GLY 31 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 4.66 -0.14 0.99 4.77 -0.97 -4.68 117.00 121.63 3khs n LEU 32 Ca 0.00 -3.38 -0.07 0.00 -0.03 0.00 0.00 56.01 52.53 3khs n LEU 32 Cb 0.17 -0.64 0.02 0.00 -2.33 0.00 0.00 43.42 40.63 3khs n LEU 32 CO 0.00 0.94 1.04 1.23 -1.33 0.00 0.00 177.39 179.27 3khs h GLY 33 N 1.63 0.62 -1.86 -0.72 0.00 -1.89 -2.93 103.07 97.92 3khs h GLY 33 Ca 0.19 -0.21 0.54 0.00 0.00 0.00 0.00 47.33 47.84 3khs h GLY 33 CO 0.46 0.20 1.35 0.28 0.00 0.00 0.00 176.54 178.83 3khs n LYS 34 N -4.81 0.00 -0.18 4.80 4.76 -1.26 0.21 118.16 121.68 3khs n LYS 34 Ca 0.02 1.02 0.23 0.00 -2.87 0.00 0.00 58.31 56.71 3khs n LYS 34 Cb 0.05 -2.37 0.63 0.00 -1.84 0.00 0.00 35.03 31.50 3khs n LYS 34 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3khs h ILE 35 N 0.00 0.63 -0.12 -0.18 2.04 -1.83 -0.63 117.51 117.42 3khs h ILE 35 Ca 0.89 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 66.63 3khs h ILE 35 Cb 3.57 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 40.08 3khs h ILE 35 CO -0.01 0.03 -0.17 1.23 0.00 0.00 0.00 178.15 179.23 3khs h GLY 36 N 0.18 0.22 2.00 5.37 0.00 -0.49 -2.33 103.07 108.02 3khs h GLY 36 Ca 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3khs h GLY 36 CO -0.08 0.13 0.00 -0.55 0.00 0.00 0.00 176.54 176.04 3khs h ASP 37 N 0.19 0.00 0.76 0.19 3.32 -1.29 -1.46 116.42 118.13 3khs h ASP 37 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3khs h ASP 37 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3khs h ASP 37 CO 0.03 0.00 0.00 -0.24 -1.72 0.00 0.00 179.24 177.31 3khs n SER 38 N -2.46 0.67 -4.71 6.45 2.88 -0.88 -4.73 113.62 110.84 3khs n SER 38 Ca -0.02 0.66 -0.41 0.00 -1.33 0.00 0.00 58.87 57.77 3khs n SER 38 Cb 0.05 -0.80 -0.04 0.00 -0.75 0.00 0.00 64.21 62.67 3khs n SER 38 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3khs s LEU 39 N -4.47 4.34 0.13 2.46 1.02 -0.55 -4.67 118.68 116.94 3khs s LEU 39 Ca 0.04 1.48 -0.06 0.00 0.02 0.00 0.00 54.13 55.62 3khs s LEU 39 Cb 0.09 -3.40 -0.06 0.00 0.02 0.00 0.00 46.19 42.85 3khs s LEU 39 CO 0.40 -0.23 0.39 -1.61 0.02 0.00 0.00 176.35 175.32 3khs s GLU 40 N 1.05 3.65 -1.30 1.70 2.02 0.75 -4.34 118.70 122.24 3khs s GLU 40 Ca 0.47 -0.02 -0.05 0.00 0.02 0.00 0.00 54.97 55.38 3khs s GLU 40 Cb -0.20 -2.87 -0.00 0.00 0.10 0.00 0.00 34.13 31.16 3khs s GLU 40 CO 0.24 0.48 0.62 2.41 0.02 0.00 0.00 175.26 179.03 3khs n THR 41 N 0.24 -4.43 -3.20 3.63 -1.04 -1.26 -1.76 114.28 106.45 3khs n THR 41 Ca -0.03 -0.63 -0.39 0.00 -2.04 0.00 0.00 64.05 60.96 3khs n THR 41 Cb 0.52 -3.59 -0.06 0.00 -1.82 0.00 0.00 70.33 65.38 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 -4.14 7.14 -0.12 8.00 1.04 -1.26 -4.61 113.70 119.74 3khs s SER 42 Ca 0.12 1.35 -0.03 0.00 0.48 0.00 0.00 55.95 57.86 3khs s SER 42 Cb -0.04 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 3khs s SER 42 CO 0.85 0.25 0.00 -0.63 0.98 0.00 0.00 173.24 174.69 3khs s ILE 43 N -1.05 4.30 -0.10 -1.02 -1.09 0.16 -4.94 121.20 117.46 3khs s ILE 43 Ca 0.31 -0.23 0.04 0.00 -2.23 0.00 0.00 60.65 58.53 3khs s ILE 43 Cb -0.20 -2.85 -0.00 0.00 -1.58 0.00 0.00 42.46 37.82 3khs s ILE 43 CO 0.21 0.55 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.35 3khs s THR 44 N -0.29 2.26 -0.21 2.92 2.01 -1.26 -0.85 115.64 120.22 3khs s THR 44 Ca 0.06 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.11 3khs s THR 44 Cb -0.12 -1.87 0.05 0.00 0.01 0.00 0.00 72.50 70.57 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 0.24 1.42 0.46 3.82 1.01 -0.16 -4.99 120.40 122.21 3khs s VAL 45 Ca -0.15 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.57 3khs s VAL 45 Cb -0.17 -1.64 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 3khs s VAL 45 CO 0.07 0.01 1.41 0.00 0.00 0.00 0.00 175.10 176.59 3khs s ALA 46 N 1.47 3.18 0.36 5.51 0.00 -1.26 -0.71 121.76 130.30 3khs s ALA 46 Ca -0.03 1.44 0.05 0.00 0.00 0.00 0.00 51.96 53.42 3khs s ALA 46 Cb -0.17 -3.58 0.73 0.00 0.00 0.00 0.00 23.12 20.09 3khs s ALA 46 CO -0.07 -1.21 1.96 1.88 0.00 0.00 0.00 175.76 178.32 3khs h TYR 47 N 2.21 0.78 0.00 0.00 0.05 -0.76 -2.19 116.97 117.05 3khs h TYR 47 Ca -0.51 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.29 3khs h TYR 47 Cb 1.27 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 38.75 3khs h TYR 47 CO 0.49 0.42 -0.01 0.66 -1.05 0.00 0.00 178.16 178.67 3khs h SER 48 N 0.77 0.00 0.09 3.88 4.64 -1.90 -1.10 113.55 119.93 3khs h SER 48 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3khs h SER 48 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3khs h SER 48 CO -0.10 0.01 -0.59 0.47 -0.87 0.00 0.00 176.83 175.74 3khs n ASP 49 N -3.49 1.39 -4.70 4.97 8.00 -0.83 -4.90 116.55 117.00 3khs n ASP 49 Ca -0.03 -1.12 -0.41 0.00 0.71 0.00 0.00 54.79 53.94 3khs n ASP 49 Cb 0.09 0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.69 4.91 0.24 0.53 1.01 -0.42 -5.01 121.20 119.78 3khs s ILE 50 Ca 0.16 1.77 -0.30 0.00 0.00 0.00 0.00 60.65 62.27 3khs s ILE 50 Cb 0.18 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 3khs s ILE 50 CO 0.66 0.13 1.49 -2.84 0.00 0.00 0.00 174.94 174.38 3khs s PRO 51 N 1.41 4.23 0.00 2.79 0.02 -1.26 -3.01 135.00 139.18 3khs s PRO 51 Ca 0.44 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.82 3khs s PRO 51 Cb -0.18 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3khs s PRO 51 CO 0.19 -0.49 0.00 0.09 -0.33 0.00 0.00 177.00 176.47 3khs n ASN 52 N 2.56 0.00 -4.79 2.53 3.02 -1.26 -4.70 115.26 112.62 3khs n ASN 52 Ca 0.08 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.28 3khs n ASN 52 Cb 0.39 -0.34 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 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 -2.51 3.15 -0.06 3.10 0.40 -1.16 -5.05 117.98 115.84 3khs s PHE 53 Ca 0.00 1.61 -0.05 0.00 -0.60 0.00 0.00 56.93 57.89 3khs s PHE 53 Cb 0.00 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.43 3khs s PHE 53 CO 0.00 -0.67 0.24 -1.35 0.70 0.00 0.00 175.22 174.14 3khs h PRO 54 N 2.01 -0.18 -1.93 0.24 0.11 -1.90 -3.49 132.00 126.86 3khs h PRO 54 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3khs h PRO 54 Cb 1.21 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3khs h PRO 54 CO 0.61 -0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 3khs n ALA 62 N -2.63 1.26 -1.84 -0.75 0.00 -1.26 -5.06 120.51 110.24 3khs n ALA 62 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 3khs n ALA 62 Cb 0.07 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 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 1.29 2.64 0.02 0.00 0.00 -1.26 -4.96 107.32 105.05 3khs s GLY 63 Ca 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 44.72 45.12 3khs s GLY 63 CO 0.00 0.81 0.04 -1.35 0.00 0.00 0.00 173.10 172.60 3khs s SER 64 N -1.82 0.19 -0.18 1.64 1.04 -1.16 0.00 113.70 113.41 3khs s SER 64 Ca 0.53 -0.48 -0.05 0.00 0.48 0.00 0.00 55.95 56.44 3khs s SER 64 Cb -0.15 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 3khs s SER 64 CO 0.20 -0.40 -0.01 -0.22 0.98 0.00 0.00 173.24 173.80 3khs s LEU 65 N -1.73 3.35 -0.13 2.42 2.96 0.11 -0.86 118.68 124.79 3khs s LEU 65 Ca -0.11 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3khs s LEU 65 Cb -0.06 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 3khs s LEU 65 CO -0.02 0.13 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.37 3khs s ILE 66 N 0.61 2.91 -0.14 6.68 1.01 0.60 -0.99 121.20 131.89 3khs s ILE 66 Ca -0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 3khs s ILE 66 Cb -0.14 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3khs s ILE 66 CO 0.02 0.52 -0.10 -0.36 0.00 0.00 0.00 174.94 175.03 3khs s PHE 67 N 0.44 2.88 -0.73 3.97 0.40 -0.03 0.38 117.98 125.29 3khs s PHE 67 Ca -0.11 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 3khs s PHE 67 Cb -0.16 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.49 3khs s PHE 67 CO 0.05 -0.14 0.00 0.41 0.70 0.00 0.00 175.22 176.24 3khs n GLY 68 N 3.48 -1.33 3.71 4.36 0.00 -0.58 -0.67 105.19 114.17 3khs n GLY 68 Ca -0.18 -1.00 -0.25 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 -1.18 4.96 -0.11 1.61 1.04 -0.72 0.72 113.70 120.02 3khs s SER 69 Ca 0.00 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 3khs s SER 69 Cb 0.00 -1.10 0.05 0.00 0.10 0.00 0.00 66.02 65.07 3khs s SER 69 CO 0.00 0.04 0.25 -0.69 0.98 0.00 0.00 173.24 173.82 3khs s VAL 70 N -1.97 -0.09 -1.67 5.02 1.01 -0.33 -0.18 120.40 122.18 3khs s VAL 70 Ca 0.30 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 3khs s VAL 70 Cb -0.08 -0.40 0.17 0.00 0.00 0.00 0.00 36.38 36.07 3khs s VAL 70 CO 0.21 0.07 0.69 0.59 0.00 0.00 0.00 175.10 176.65 3khs n ASN 71 N 4.39 -2.84 0.00 3.32 3.02 -1.26 -0.17 115.26 121.72 3khs n ASN 71 Ca -0.23 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3khs n ASN 71 Cb 0.53 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.33 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 -1.24 0.63 3.48 7.41 0.00 -1.26 -4.88 105.19 109.34 3khs n GLY 72 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.53 3.75 -0.10 1.61 1.01 0.76 -5.08 120.40 119.82 3khs s VAL 73 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 3khs s VAL 73 Cb 0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3khs s VAL 73 CO 0.00 0.50 1.10 -0.94 0.00 0.00 0.00 175.10 175.76 3khs s SER 74 N 0.32 7.13 0.24 3.32 1.04 -1.26 -1.19 113.70 123.30 3khs s SER 74 Ca -0.05 1.63 0.07 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 63.37 3khs s SER 74 CO 0.03 -0.55 -0.09 0.00 0.98 0.00 0.00 173.24 173.61 3khs s VAL 76 N -3.05 1.29 -0.09 0.00 0.11 -0.57 -1.52 120.40 116.57 3khs s VAL 76 Ca 0.26 -0.56 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 3khs s VAL 76 Cb 0.02 -1.17 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 3khs s VAL 76 CO 0.09 0.39 -0.18 0.00 -3.33 0.00 0.00 175.10 172.07 3khs s MET 78 N 0.55 3.93 -1.05 0.00 -1.94 0.27 -0.29 119.30 120.77 3khs s MET 78 Ca -0.16 0.29 -0.10 0.00 -1.71 0.00 0.00 55.69 54.01 3khs s MET 78 Cb -0.17 -3.71 0.26 0.00 2.01 0.00 0.00 34.83 33.22 3khs s MET 78 CO 0.05 -0.52 1.05 0.21 -0.01 0.00 0.00 175.02 175.81 3khs s LYS 79 N 2.52 4.06 0.00 2.03 2.20 -0.04 -0.42 119.74 130.09 3khs s LYS 79 Ca 0.24 -3.01 0.00 0.00 -0.36 0.00 0.00 55.97 52.84 3khs s LYS 79 Cb -0.15 -4.55 0.00 0.00 -1.51 0.00 0.00 37.83 31.61 3khs s LYS 79 CO 0.11 -1.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.23 3khs n GLY 80 N 3.07 3.23 2.77 5.54 0.00 -1.22 -2.97 105.19 115.61 3khs n GLY 80 Ca 0.22 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.05 0.65 -4.81 1.61 1.85 -1.26 -4.77 116.66 109.88 3khs n ARG 81 Ca 0.00 -2.85 -0.32 0.00 -1.00 0.00 0.00 57.85 53.69 3khs n ARG 81 Cb 0.00 1.53 -0.13 0.00 -1.05 0.00 0.00 32.46 32.81 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 -2.80 2.61 0.09 2.89 0.08 -1.26 -5.13 117.98 114.45 3khs s PHE 82 Ca 0.17 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 57.07 3khs s PHE 82 Cb 0.01 -1.54 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 3khs s PHE 82 CO 0.12 0.20 -0.22 -1.01 -0.10 0.00 0.00 175.22 174.21 3khs s HIS 83 N -0.82 1.89 0.43 0.36 3.76 -1.26 -4.87 115.29 114.77 3khs s HIS 83 Ca 0.13 -0.40 0.12 0.00 -0.15 0.00 0.00 55.06 54.76 3khs s HIS 83 Cb -0.11 -1.05 0.99 0.00 1.11 0.00 0.00 32.58 33.52 3khs s HIS 83 CO 0.03 0.20 2.00 -0.07 -0.85 0.00 0.00 174.74 176.05 3khs h LEU 84 N 4.25 0.39 -0.54 0.89 4.07 -1.81 -1.53 115.31 121.03 3khs h LEU 84 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3khs h LEU 84 Cb 1.17 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.83 3khs h LEU 84 CO 0.41 0.25 0.00 0.00 -1.08 0.00 0.00 178.44 178.01 3khs n TYR 85 N -4.47 0.56 0.75 1.13 4.11 -1.24 -1.71 117.16 116.29 3khs n TYR 85 Ca 0.08 0.23 0.13 0.00 -0.00 0.00 0.00 57.90 58.34 3khs n TYR 85 Cb 0.29 -0.87 0.45 0.00 -0.00 0.00 0.00 39.34 39.22 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 -2.02 0.18 0.00 -3.48 1.02 -0.58 -4.77 120.64 110.99 3khs n GLU 86 Ca 0.02 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3khs n GLU 86 Cb 0.19 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 1.37 1.34 3.81 0.62 0.00 -0.69 -5.09 105.19 106.55 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 3.09 0.69 1.61 3.76 -1.25 -5.04 115.29 116.16 3khs s HIS 88 Ca 0.00 1.55 -0.11 0.00 -0.15 0.00 0.00 55.06 56.34 3khs s HIS 88 Cb 0.00 -2.99 0.01 0.00 1.11 0.00 0.00 32.58 30.71 3khs s HIS 88 CO 0.00 -0.78 1.07 0.95 -0.85 0.00 0.00 174.74 175.13 3khs s THR 89 N -2.23 3.87 0.34 1.30 -4.23 -1.26 -4.47 115.64 108.95 3khs s THR 89 Ca 0.64 0.61 0.03 0.00 -1.18 0.00 0.00 61.69 61.79 3khs s THR 89 Cb -0.15 -3.51 0.28 0.00 1.34 0.00 0.00 72.50 70.46 3khs s THR 89 CO 0.26 -0.80 1.96 0.00 -0.54 0.00 0.00 174.62 175.50 3khs h ALA 90 N -0.64 1.58 -0.33 3.99 0.00 -1.86 -0.12 119.26 121.89 3khs h ALA 90 Ca -0.45 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3khs h ALA 90 Cb 1.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3khs h ALA 90 CO 0.61 0.33 -0.01 0.00 0.00 0.00 0.00 179.25 180.17 3khs h ALA 91 N 1.57 0.45 0.16 0.00 0.00 -1.80 -2.40 119.26 117.23 3khs h ALA 91 Ca 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3khs h ALA 91 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3khs h ALA 91 CO -0.10 0.22 -0.08 -0.09 0.00 0.00 0.00 179.25 179.21 3khs h ARG 92 N 0.39 -0.21 0.00 0.00 9.65 -1.65 -2.47 114.38 120.09 3khs h ARG 92 Ca 0.09 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3khs h ARG 92 Cb 0.47 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3khs h ARG 92 CO 0.02 -0.11 0.00 0.00 2.80 0.00 0.00 179.97 182.68 3khs h ALA 93 N 0.59 1.00 -0.52 2.80 0.00 -1.06 -1.66 119.26 120.41 3khs h ALA 93 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3khs h ALA 93 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3khs h ALA 93 CO 0.04 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.54 3khs n THR 94 N -2.75 1.87 -0.27 0.00 -2.24 -0.91 -4.51 114.28 105.47 3khs n THR 94 Ca -0.01 -1.32 -0.06 0.00 -2.27 0.00 0.00 64.05 60.39 3khs n THR 94 Cb 0.17 0.08 0.05 0.00 -2.10 0.00 0.00 70.33 68.53 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 3.31 1.13 -0.44 4.78 3.57 -0.86 -2.51 116.94 125.92 3khs h PHE 95 Ca 0.00 -0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.51 3khs h PHE 95 Cb 1.38 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 3khs h PHE 95 CO 0.66 0.87 0.30 -1.35 -2.23 0.00 0.00 178.31 176.56 3khs h PRO 96 N 1.06 0.17 -0.40 6.41 0.11 -1.81 -0.23 132.00 137.32 3khs h PRO 96 Ca 0.24 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.24 3khs h PRO 96 Cb 0.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 3khs h PRO 96 CO -0.02 0.12 -0.18 0.52 -0.21 0.00 0.00 178.00 178.22 3khs h MET 97 N 0.18 0.76 -0.27 1.05 2.86 -1.77 0.23 114.93 117.96 3khs h MET 97 Ca 0.20 -0.28 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 3khs h MET 97 Cb 0.57 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3khs h MET 97 CO -0.03 0.89 -0.39 0.00 1.06 0.00 0.00 176.91 178.43 3khs h ARG 98 N 0.67 0.64 -0.14 1.72 3.08 -1.06 -2.14 114.38 117.16 3khs h ARG 98 Ca 0.10 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 3khs h ARG 98 Cb 0.68 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3khs h ARG 98 CO 0.05 0.93 0.05 0.28 -1.07 0.00 0.00 179.97 180.21 3khs h VAL 99 N 0.53 1.16 -0.74 2.04 2.07 -0.59 -1.32 116.25 119.40 3khs h VAL 99 Ca 0.05 -0.48 0.15 0.00 0.82 0.00 0.00 66.70 67.24 3khs h VAL 99 Cb 0.91 1.22 -0.10 0.00 -1.52 0.00 0.00 31.29 31.80 3khs h VAL 99 CO 0.08 0.15 0.25 -0.26 0.02 0.00 0.00 177.57 177.81 3khs h PHE 100 N 0.07 0.42 -0.22 1.57 -1.00 -0.36 0.41 116.94 117.83 3khs h PHE 100 Ca 0.05 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 3khs h PHE 100 Cb 0.18 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 3khs h PHE 100 CO -0.01 0.00 0.13 -0.22 -1.61 0.00 0.00 178.31 176.60 3khs h LYS 101 N 0.37 0.29 0.00 1.51 3.64 -0.90 -1.95 116.57 119.53 3khs h LYS 101 Ca 0.41 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3khs h LYS 101 Cb 0.66 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3khs h LYS 101 CO -0.44 0.25 -0.01 0.00 -2.27 0.00 0.00 179.45 176.97 3khs h ALA 102 N 1.03 1.05 -0.00 5.00 0.00 -0.04 0.31 119.26 126.60 3khs h ALA 102 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3khs h ALA 102 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3khs h ALA 102 CO -0.01 0.01 -0.17 1.28 0.00 0.00 0.00 179.25 180.36 3khs n LEU 103 N -3.17 0.27 0.00 0.00 4.77 0.00 -4.90 117.00 113.98 3khs n LEU 103 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3khs n LEU 103 Cb 0.15 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3khs n LEU 103 CO 0.23 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3khs n GLY 104 N 1.43 0.86 3.77 -0.72 0.00 0.10 -4.34 105.19 106.29 3khs n GLY 104 Ca 0.09 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 2.25 -0.09 1.61 1.01 -0.86 -4.64 120.40 117.68 3khs s VAL 105 Ca 0.00 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.30 3khs s VAL 105 Cb 0.00 -3.15 -0.13 0.00 0.00 0.00 0.00 36.38 33.11 3khs s VAL 105 CO 0.00 0.05 0.05 0.29 0.00 0.00 0.00 175.10 175.49 3khs n LYS 106 N 1.19 2.22 -4.55 2.72 4.76 0.51 -4.71 118.16 120.29 3khs n LYS 106 Ca 0.03 -0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.23 3khs n LYS 106 Cb 0.39 -1.25 -0.16 0.00 -1.84 0.00 0.00 35.03 32.17 3khs n LYS 106 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3khs s ILE 107 N -2.28 1.04 -0.08 -0.18 1.01 -1.16 -1.23 121.20 118.32 3khs s ILE 107 Ca -0.05 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.16 3khs s ILE 107 Cb 0.03 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.58 3khs s ILE 107 CO 0.41 0.32 -0.22 -0.69 0.00 0.00 0.00 174.94 174.76 3khs s VAL 108 N 0.30 1.85 -0.28 2.92 1.01 0.75 0.32 120.40 127.27 3khs s VAL 108 Ca -0.07 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 3khs s VAL 108 Cb -0.11 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.69 3khs s VAL 108 CO 0.02 0.51 -0.00 -0.69 0.00 0.00 0.00 175.10 174.94 3khs s VAL 109 N 0.31 3.15 0.01 2.92 1.01 0.70 -1.63 120.40 126.86 3khs s VAL 109 Ca -0.15 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.72 3khs s VAL 109 Cb -0.17 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3khs s VAL 109 CO 0.07 0.04 0.03 -0.76 0.00 0.00 0.00 175.10 174.48 3khs s LEU 110 N 1.33 3.65 0.08 3.92 2.01 0.12 -1.40 118.68 128.39 3khs s LEU 110 Ca -0.02 0.03 0.03 0.00 0.01 0.00 0.00 54.13 54.18 3khs s LEU 110 Cb -0.18 -2.14 -0.03 0.00 0.01 0.00 0.00 46.19 43.85 3khs s LEU 110 CO -0.02 0.26 -0.09 0.42 1.01 0.00 0.00 176.35 177.94 3khs s THR 111 N -1.16 0.80 0.26 5.49 -4.23 -0.79 -1.03 115.64 114.99 3khs s THR 111 Ca 0.22 -1.55 -0.21 0.00 -1.18 0.00 0.00 61.69 58.97 3khs s THR 111 Cb -0.12 -1.23 0.03 0.00 1.34 0.00 0.00 72.50 72.52 3khs s THR 111 CO 0.13 -0.56 0.69 0.54 -0.54 0.00 0.00 174.62 174.88 3khs s ASN 112 N -2.32 -0.31 -0.12 3.99 2.20 -1.09 -2.28 114.94 115.01 3khs s ASN 112 Ca 0.03 -0.52 -0.04 0.00 -0.94 0.00 0.00 52.86 51.39 3khs s ASN 112 Cb -0.03 0.71 -0.03 0.00 -2.00 0.00 0.00 41.25 39.89 3khs s ASN 112 CO -0.01 -1.28 0.03 0.00 -2.94 0.00 0.00 177.10 172.90 3khs s ALA 113 N -3.89 3.36 0.15 3.54 0.00 -1.26 -0.16 121.76 123.49 3khs s ALA 113 Ca 0.10 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 3khs s ALA 113 Cb -0.05 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 3khs s ALA 113 CO 0.04 0.46 0.19 0.00 0.00 0.00 0.00 175.76 176.45 3khs s ALA 114 N -0.49 0.36 -0.16 0.00 0.00 0.16 -4.81 121.76 116.82 3khs s ALA 114 Ca 0.09 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 3khs s ALA 114 Cb -0.12 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 3khs s ALA 114 CO 0.02 -0.58 0.31 0.20 0.00 0.00 0.00 175.76 175.71 3khs s GLY 115 N -3.00 2.22 0.08 0.00 0.00 -0.59 -1.64 107.32 104.40 3khs s GLY 115 Ca 0.20 -0.43 -0.27 0.00 0.00 0.00 0.00 44.72 44.22 3khs s GLY 115 CO 0.01 0.47 0.83 -0.32 0.00 0.00 0.00 173.10 174.08 3khs s GLY 116 N 0.50 2.88 -0.08 0.20 0.00 0.63 -0.82 107.32 110.63 3khs s GLY 116 Ca 0.17 0.39 0.09 0.00 0.00 0.00 0.00 44.72 45.37 3khs s GLY 116 CO 0.04 1.18 0.06 1.04 0.00 0.00 0.00 173.10 175.43 3khs n LEU 117 N 2.65 0.00 -4.69 0.66 4.77 0.53 -0.93 117.00 119.99 3khs n LEU 117 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 3khs n LEU 117 Cb 0.50 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.76 3khs n LEU 117 CO 0.48 0.20 1.43 0.21 -1.33 0.00 0.00 177.39 178.38 3khs s ASN 118 N -4.03 6.50 0.55 -1.43 3.84 -0.64 -4.88 114.94 114.85 3khs s ASN 118 Ca -0.05 2.64 0.38 0.00 0.21 0.00 0.00 52.86 56.04 3khs s ASN 118 Cb 0.03 -2.56 1.57 0.00 -0.55 0.00 0.00 41.25 39.74 3khs s ASN 118 CO 0.40 -0.96 1.79 -0.65 -2.79 0.00 0.00 177.10 174.88 3khs h PRO 119 N 8.67 0.00 -0.04 0.43 0.11 -1.92 -1.33 132.00 137.92 3khs h PRO 119 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3khs h PRO 119 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3khs h PRO 119 CO 0.94 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.60 3khs n SER 120 N -4.15 2.33 -4.83 -2.05 3.41 -1.26 -4.92 113.62 102.14 3khs n SER 120 Ca 0.27 -1.78 -0.32 0.00 -0.26 0.00 0.00 58.87 56.78 3khs n SER 120 Cb 1.31 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 65.19 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 -1.97 3.38 0.07 7.33 1.51 -0.50 -5.07 117.35 122.09 3khs s TYR 121 Ca 0.33 1.50 0.03 0.00 -1.01 0.00 0.00 57.07 57.92 3khs s TYR 121 Cb 0.20 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 3khs s TYR 121 CO 0.31 -0.19 -0.10 1.03 -1.11 0.00 0.00 175.55 175.50 3khs s ARG 122 N -3.53 0.73 0.28 -0.62 0.52 -1.26 -4.98 118.95 110.09 3khs s ARG 122 Ca 0.60 -1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 3khs s ARG 122 Cb -0.09 -0.47 -0.11 0.00 0.52 0.00 0.00 34.95 34.79 3khs s ARG 122 CO 0.21 0.08 1.59 -1.25 0.02 0.00 0.00 175.30 175.95 3khs s PRO 123 N -2.30 4.13 0.00 3.54 0.04 -1.26 -1.38 135.00 137.77 3khs s PRO 123 Ca -0.00 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.59 3khs s PRO 123 Cb -0.06 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.45 3khs s PRO 123 CO 0.00 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.83 3khs n GLY 124 N 2.26 2.90 3.64 0.56 0.00 0.67 -5.02 105.19 110.21 3khs n GLY 124 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.11 2.25 -0.05 1.61 1.01 -0.48 -4.74 116.67 115.17 3khs s ASP 125 Ca 0.00 1.26 0.07 0.00 0.71 0.00 0.00 52.55 54.58 3khs s ASP 125 Cb 0.00 -1.95 -0.01 0.00 1.01 0.00 0.00 42.92 41.97 3khs s ASP 125 CO 0.00 -3.38 -0.25 -0.36 0.21 0.00 0.00 175.17 171.40 3khs s PHE 126 N -2.86 2.42 -0.26 4.23 2.99 0.56 -0.51 117.98 124.55 3khs s PHE 126 Ca 0.66 -0.62 0.03 0.00 0.00 0.00 0.00 56.93 57.00 3khs s PHE 126 Cb -0.20 -1.57 0.06 0.00 0.00 0.00 0.00 43.02 41.31 3khs s PHE 126 CO 0.59 -0.15 -0.11 1.41 -0.00 0.00 0.00 175.22 176.96 3khs s MET 127 N -0.31 2.24 0.17 0.44 -2.45 0.14 -0.02 119.30 119.50 3khs s MET 127 Ca 0.01 -1.35 -0.30 0.00 -1.25 0.00 0.00 55.69 52.79 3khs s MET 127 Cb -0.13 -2.90 -0.08 0.00 1.25 0.00 0.00 34.83 32.97 3khs s MET 127 CO 0.02 -0.58 1.26 0.08 1.05 0.00 0.00 175.02 176.85 3khs s VAL 128 N 1.10 3.47 -0.20 10.11 1.01 0.11 -0.53 120.40 135.46 3khs s VAL 128 Ca -0.09 1.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.84 3khs s VAL 128 Cb -0.20 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3khs s VAL 128 CO -0.05 0.16 0.77 -0.69 0.00 0.00 0.00 175.10 175.30 3khs s VAL 129 N 0.24 4.91 -0.04 2.92 1.01 0.53 -1.31 120.40 128.65 3khs s VAL 129 Ca 0.56 1.48 0.22 0.00 0.00 0.00 0.00 61.98 64.24 3khs s VAL 129 Cb -0.34 -4.08 -0.33 0.00 0.00 0.00 0.00 36.38 31.63 3khs s VAL 129 CO 0.36 0.02 0.46 -2.11 0.00 0.00 0.00 175.10 173.82 3khs n ARG 130 N 5.44 0.66 -3.67 2.72 1.85 -0.29 -4.65 116.66 118.73 3khs n ARG 130 Ca 0.03 -0.18 -0.04 0.00 -1.00 0.00 0.00 57.85 56.66 3khs n ARG 130 Cb 0.49 -1.52 -0.01 0.00 -1.05 0.00 0.00 32.46 30.36 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 -4.59 -0.20 0.17 2.89 2.15 -1.24 -4.58 116.67 111.26 3khs s ASP 131 Ca -0.08 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 52.65 3khs s ASP 131 Cb 0.13 0.40 -0.04 0.00 -0.30 0.00 0.00 42.92 43.11 3khs s ASP 131 CO 0.90 -0.72 0.05 -1.38 -0.17 0.00 0.00 175.17 173.86 3khs s HIS 132 N -3.09 1.08 -0.25 -5.34 -3.43 -1.26 -0.86 115.29 102.14 3khs s HIS 132 Ca 0.11 -1.18 -0.01 0.00 -0.80 0.00 0.00 55.06 53.18 3khs s HIS 132 Cb -0.00 -0.60 0.08 0.00 -1.43 0.00 0.00 32.58 30.62 3khs s HIS 132 CO -0.02 -0.42 0.03 0.42 -2.00 0.00 0.00 174.74 172.75 3khs s ILE 133 N -3.91 1.09 -0.78 -5.38 1.01 -0.17 -4.91 121.20 108.15 3khs s ILE 133 Ca 0.27 -1.17 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 3khs s ILE 133 Cb 0.07 -1.61 0.20 0.00 0.01 0.00 0.00 42.46 41.14 3khs s ILE 133 CO 0.05 -0.35 0.68 0.21 0.00 0.00 0.00 174.94 175.53 3khs s ASN 134 N 1.56 6.27 0.11 3.58 2.47 -1.26 0.10 114.94 127.77 3khs s ASN 134 Ca 0.02 -2.83 -0.21 0.00 0.42 0.00 0.00 52.86 50.25 3khs s ASN 134 Cb -0.18 -2.08 -0.07 0.00 -1.45 0.00 0.00 41.25 37.46 3khs s ASN 134 CO -0.13 -0.48 1.74 -0.07 -3.72 0.00 0.00 177.10 174.44 3khs h LEU 135 N 7.41 -0.00 -1.22 3.21 3.38 -1.86 -2.54 115.31 123.68 3khs h LEU 135 Ca 0.08 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.14 3khs h LEU 135 Cb 1.00 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 3khs h LEU 135 CO 0.75 0.02 0.56 -0.65 0.09 0.00 0.00 178.44 179.21 3khs h PRO 136 N 0.08 0.90 0.00 1.13 0.11 -1.87 -1.35 132.00 131.00 3khs h PRO 136 Ca 0.06 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3khs h PRO 136 Cb 0.06 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 30.96 3khs h PRO 136 CO -0.09 0.60 0.00 0.41 -0.21 0.00 0.00 178.00 178.71 3khs n GLY 137 N -1.41 -1.24 0.07 -0.55 0.00 -0.98 -1.52 105.19 99.55 3khs n GLY 137 Ca 0.13 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3khs n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3khs n LEU 138 N -2.04 0.61 -2.99 0.99 4.77 -0.53 -4.41 117.00 113.42 3khs n LEU 138 Ca 0.03 0.16 -0.21 0.00 -0.03 0.00 0.00 56.01 55.95 3khs n LEU 138 Cb 0.23 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3khs n LEU 138 CO 0.19 -0.07 -0.05 0.00 -1.33 0.00 0.00 177.39 176.13 3khs n ALA 139 N -2.06 3.35 -0.22 -1.18 0.00 -0.96 -4.97 120.51 114.47 3khs n ALA 139 Ca 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.52 3khs n ALA 139 Cb 0.51 -0.83 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 -0.00 0.89 2.50 0.00 0.00 -1.23 -4.96 105.19 102.38 3khs n GLY 140 Ca 0.27 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.35 0.49 -2.69 4.61 0.00 -0.58 -5.04 120.51 115.96 3khs n ALA 141 Ca 0.00 -2.30 -0.37 0.00 0.00 0.00 0.00 53.44 50.77 3khs n ALA 141 Cb 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.79 6.55 0.26 0.00 3.84 -1.26 -3.19 114.94 119.36 3khs s ASN 142 Ca 0.30 0.65 0.22 0.00 0.21 0.00 0.00 52.86 54.23 3khs s ASN 142 Cb 0.32 -2.19 1.00 0.00 -0.55 0.00 0.00 41.25 39.84 3khs s ASN 142 CO -0.06 0.21 1.67 -0.81 -2.79 0.00 0.00 177.10 175.31 3khs n PRO 143 N 2.83 0.17 0.00 0.43 -0.04 -1.26 -1.90 135.00 135.22 3khs n PRO 143 Ca -0.14 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 3khs n PRO 143 Cb 0.52 -1.88 0.10 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.20 2.72 -4.69 1.53 4.77 -1.26 -4.13 117.00 113.74 3khs n LEU 144 Ca 0.01 -0.92 -0.44 0.00 -0.03 0.00 0.00 56.01 54.63 3khs n LEU 144 Cb 0.16 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3khs n LEU 144 CO 0.16 0.46 1.29 0.41 -1.33 0.00 0.00 177.39 178.37 3khs n THR 145 N 1.00 0.00 0.00 -5.08 -1.04 -0.80 -4.73 114.28 103.63 3khs n THR 145 Ca 0.13 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 3khs n THR 145 Cb 0.56 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 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 3.70 0.58 3.78 3.41 0.00 -1.26 -4.96 105.19 110.44 3khs n GLY 146 Ca 0.16 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.85 3.71 -0.10 1.61 0.04 -1.26 -5.04 135.00 133.12 3khs s PRO 147 Ca 0.00 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.63 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 -0.54 -0.19 1.21 0.04 0.00 0.00 177.00 177.52 3khs s ASN 148 N -1.71 3.50 -0.67 6.66 2.47 -1.26 -5.03 114.94 118.91 3khs s ASN 148 Ca 0.67 -0.43 -0.27 0.00 0.42 0.00 0.00 52.86 53.25 3khs s ASN 148 Cb -0.22 -1.30 0.03 0.00 -1.45 0.00 0.00 41.25 38.31 3khs s ASN 148 CO 0.27 0.20 1.20 -0.62 -3.72 0.00 0.00 177.10 174.43 3khs s ASP 149 N 0.12 6.27 0.01 -4.21 -1.08 -1.26 -4.87 116.67 111.65 3khs s ASP 149 Ca -0.10 -0.30 0.01 0.00 -0.52 0.00 0.00 52.55 51.64 3khs s ASP 149 Cb -0.16 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.80 3khs s ASP 149 CO 0.06 -1.64 0.90 0.47 0.52 0.00 0.00 175.17 175.48 3khs n ASP 150 N 8.79 0.02 0.00 -0.34 8.00 -1.26 -0.00 116.55 131.75 3khs n ASP 150 Ca 0.04 0.39 0.10 0.00 0.71 0.00 0.00 54.79 56.04 3khs n ASP 150 Cb 0.49 -0.39 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.41 0.02 -0.01 -3.53 -1.04 -1.26 -4.21 114.28 102.83 3khs n THR 151 Ca -0.00 -0.12 0.04 0.00 -2.04 0.00 0.00 64.05 61.93 3khs n THR 151 Cb 0.12 0.68 -0.13 0.00 -1.82 0.00 0.00 70.33 69.18 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 -1.69 0.65 0.00 -2.82 4.71 1.00 -5.07 120.64 117.42 3khs n GLU 152 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 3khs n GLU 152 Cb 0.39 -1.60 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 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 1.39 0.40 3.76 0.62 0.00 -1.03 -4.62 105.19 105.70 3khs n GLY 153 Ca -0.11 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 2.92 0.07 1.61 0.41 -1.26 -4.28 118.70 116.18 3khs s GLU 154 Ca 0.00 1.70 -0.16 0.00 -0.41 0.00 0.00 54.97 56.10 3khs s GLU 154 Cb 0.00 -1.94 -0.14 0.00 -1.78 0.00 0.00 34.13 30.27 3khs s GLU 154 CO 0.00 -1.21 1.31 -0.09 -0.49 0.00 0.00 175.26 174.77 3khs h ARG 155 N 0.67 0.63 -2.84 1.61 1.12 -1.94 -3.35 114.38 110.28 3khs h ARG 155 Ca -0.49 -0.45 -0.64 0.00 -1.11 0.00 0.00 59.98 57.29 3khs h ARG 155 Cb 1.28 0.07 -0.40 0.00 -0.01 0.00 0.00 29.97 30.91 3khs h ARG 155 CO 0.55 1.07 -0.43 1.19 -3.11 0.00 0.00 179.97 179.23 3khs n PHE 156 N -4.19 3.52 -2.16 2.20 3.72 -1.26 -5.06 117.46 114.23 3khs n PHE 156 Ca -0.07 -4.16 -0.41 0.00 -0.05 0.00 0.00 57.45 52.77 3khs n PHE 156 Cb 0.58 -0.72 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 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 -1.84 4.39 0.20 -1.08 0.04 -1.26 -4.99 135.00 130.46 3khs s PRO 157 Ca 0.30 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 3khs s PRO 157 Cb 0.02 -3.10 -0.08 0.00 0.04 0.00 0.00 34.50 31.37 3khs s PRO 157 CO -0.10 -0.17 1.14 0.45 0.04 0.00 0.00 177.00 178.36 3khs s SER 158 N -0.37 7.19 -0.17 6.66 0.15 -1.26 -4.93 113.70 120.97 3khs s SER 158 Ca 0.50 2.19 0.16 0.00 0.70 0.00 0.00 55.95 59.50 3khs s SER 158 Cb -0.39 -2.61 0.37 0.00 -1.71 0.00 0.00 66.02 61.68 3khs s SER 158 CO 0.49 -0.27 1.22 0.23 1.20 0.00 0.00 173.24 176.12 3khs n MET 159 N 2.15 1.59 0.22 5.44 2.81 -1.26 -4.73 117.12 123.35 3khs n MET 159 Ca 0.02 -2.85 0.07 0.00 -1.81 0.00 0.00 57.70 53.14 3khs n MET 159 Cb 0.45 -1.60 0.50 0.00 -0.71 0.00 0.00 33.22 31.87 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 0.54 0.96 -1.90 2.03 2.02 -2.04 -3.31 112.91 111.21 3khs h THR 160 Ca 0.02 -0.94 -0.48 0.00 0.77 0.00 0.00 66.41 65.78 3khs h THR 160 Cb 1.10 1.54 -0.40 0.00 -1.74 0.00 0.00 68.15 68.65 3khs h THR 160 CO 0.06 0.25 -1.14 -1.20 0.37 0.00 0.00 175.52 173.85 3khs n SER 161 N -3.92 1.31 -0.30 4.18 7.64 -1.26 -4.94 113.62 116.34 3khs n SER 161 Ca -0.02 -3.05 0.00 0.00 1.01 0.00 0.00 58.87 56.81 3khs n SER 161 Cb 0.33 -0.60 0.13 0.00 -1.01 0.00 0.00 64.21 63.06 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 1.45 1.06 -3.29 0.44 2.07 -1.90 -3.38 116.25 112.69 3khs h VAL 162 Ca 0.08 -0.33 -0.73 0.00 0.82 0.00 0.00 66.70 66.54 3khs h VAL 162 Cb 0.95 0.00 -0.21 0.00 -1.52 0.00 0.00 31.29 30.51 3khs h VAL 162 CO 0.54 0.18 -0.24 -0.31 0.02 0.00 0.00 177.57 177.75 3khs s TYR 163 N -6.07 3.20 -0.40 1.57 2.02 -1.26 -4.13 117.35 112.27 3khs s TYR 163 Ca -0.13 -0.83 -0.42 0.00 -0.37 0.00 0.00 57.07 55.32 3khs s TYR 163 Cb 0.18 -3.25 -0.17 0.00 -0.40 0.00 0.00 41.96 38.32 3khs s TYR 163 CO 0.79 -0.85 1.85 -3.47 -1.57 0.00 0.00 175.55 172.30 3khs n ASP 164 N 5.44 1.67 -0.33 2.29 2.03 -0.91 -4.85 116.55 121.89 3khs n ASP 164 Ca -0.11 0.93 0.06 0.00 0.52 0.00 0.00 54.79 56.19 3khs n ASP 164 Cb 0.44 -1.03 0.26 0.00 -0.72 0.00 0.00 41.12 40.07 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 7.71 0.95 -0.24 -0.67 1.57 -1.91 -1.54 116.57 122.43 3khs h LYS 165 Ca -0.35 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.30 3khs h LYS 165 Cb 1.35 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3khs h LYS 165 CO 1.00 0.63 -0.12 1.15 -0.57 0.00 0.00 179.45 181.54 3khs h THR 166 N 0.97 1.30 -0.08 -0.16 2.02 -1.98 -2.10 112.91 112.88 3khs h THR 166 Ca 0.45 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 3khs h THR 166 Cb 0.40 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3khs h THR 166 CO -0.21 0.37 -0.15 -0.07 0.37 0.00 0.00 175.52 175.83 3khs h LEU 167 N 0.22 0.11 -0.20 2.58 3.38 -1.79 -1.45 115.31 118.17 3khs h LEU 167 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3khs h LEU 167 Cb 0.62 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3khs h LEU 167 CO 0.04 0.28 0.01 0.03 0.09 0.00 0.00 178.44 178.89 3khs h ARG 168 N 0.12 0.35 -0.55 1.13 3.08 -1.11 -1.22 114.38 116.17 3khs h ARG 168 Ca 0.02 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.04 3khs h ARG 168 Cb 0.35 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 3khs h ARG 168 CO 0.02 0.53 0.24 0.87 -1.07 0.00 0.00 179.97 180.56 3khs h LYS 169 N 0.13 0.44 -0.68 0.04 1.57 -0.68 0.91 116.57 118.29 3khs h LYS 169 Ca 0.06 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3khs h LYS 169 Cb 0.36 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 3khs h LYS 169 CO 0.01 0.29 0.38 1.88 -0.57 0.00 0.00 179.45 181.44 3khs h TYR 170 N 0.45 0.70 -0.19 -1.35 0.05 -1.05 -1.31 116.97 114.27 3khs h TYR 170 Ca 0.26 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.05 3khs h TYR 170 Cb 0.24 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3khs h TYR 170 CO -0.13 0.34 0.06 0.00 -1.05 0.00 0.00 178.16 177.38 3khs h ALA 171 N 1.36 0.25 -0.28 3.88 0.00 0.22 0.54 119.26 125.23 3khs h ALA 171 Ca 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3khs h ALA 171 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3khs h ALA 171 CO -0.18 -0.13 0.16 0.82 0.00 0.00 0.00 179.25 179.91 3khs h ILE 172 N 0.14 1.12 -0.13 0.00 1.08 -0.66 -1.40 117.51 117.67 3khs h ILE 172 Ca 0.06 -0.33 -0.11 0.00 -0.39 0.00 0.00 64.86 64.09 3khs h ILE 172 Cb 0.22 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 3khs h ILE 172 CO -0.00 0.12 -0.42 0.77 -0.69 0.00 0.00 178.15 177.93 3khs h SER 173 N 0.34 0.30 0.05 1.72 4.64 -1.21 -1.32 113.55 118.07 3khs h SER 173 Ca 0.10 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3khs h SER 173 Cb 0.06 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3khs h SER 173 CO -0.02 0.70 -0.26 0.00 -0.87 0.00 0.00 176.83 176.38 3khs h ALA 174 N 1.32 1.22 -0.07 5.18 0.00 -0.60 0.94 119.26 127.24 3khs h ALA 174 Ca 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3khs h ALA 174 Cb 0.85 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3khs h ALA 174 CO 0.07 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 179.80 3khs h ALA 175 N 1.43 0.10 0.23 0.00 0.00 -0.77 -1.14 119.26 119.11 3khs h ALA 175 Ca 0.05 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3khs h ALA 175 Cb 0.62 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3khs h ALA 175 CO 0.04 -0.16 -0.31 -0.09 0.00 0.00 0.00 179.25 178.73 3khs h ARG 176 N -0.21 -0.58 -0.95 0.00 2.43 -0.94 0.02 114.38 114.15 3khs h ARG 176 Ca 0.02 0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.48 3khs h ARG 176 Cb 0.45 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 3khs h ARG 176 CO 0.01 -0.38 0.65 0.93 -1.51 0.00 0.00 179.97 179.67 3khs h GLU 177 N -0.60 0.19 -0.01 0.20 5.08 -0.77 0.38 114.58 119.05 3khs h GLU 177 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3khs h GLU 177 Cb 0.58 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3khs h GLU 177 CO -0.11 0.13 -0.12 1.28 -1.00 0.00 0.00 179.01 179.19 3khs n LEU 178 N -4.40 1.06 0.00 1.33 4.77 -0.44 -4.94 117.00 114.39 3khs n LEU 178 Ca 0.21 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3khs n LEU 178 Cb 0.89 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 3khs n LEU 178 CO 0.34 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3khs n GLY 179 N 1.25 0.55 0.19 -0.72 0.00 0.13 -4.97 105.19 101.62 3khs n GLY 179 Ca 0.16 -0.83 0.06 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.52 2.17 -0.08 1.61 2.81 -0.10 -4.77 117.12 117.24 3khs n MET 180 Ca 0.00 -2.21 0.17 0.00 -1.81 0.00 0.00 57.70 53.85 3khs n MET 180 Cb 0.32 -1.36 0.59 0.00 -0.71 0.00 0.00 33.22 32.06 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 0.37 0.20 1.58 7.83 4.64 -1.81 -0.53 113.55 125.84 3khs h SER 181 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3khs h SER 181 Cb 0.87 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3khs h SER 181 CO 0.03 0.11 0.00 1.88 -0.87 0.00 0.00 176.83 177.98 3khs h TYR 182 N 0.22 0.00 -0.28 4.77 0.05 -1.94 -3.21 116.97 116.58 3khs h TYR 182 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.09 3khs h TYR 182 Cb 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 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 -1.89 2.39 -3.91 3.88 0.00 -0.28 -4.93 120.51 115.76 3khs n ALA 183 Ca 0.05 -1.50 -0.32 0.00 0.00 0.00 0.00 53.44 51.67 3khs n ALA 183 Cb 0.45 -0.47 -0.16 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.56 1.99 0.51 0.00 2.01 -0.76 -0.32 115.64 117.51 3khs s THR 184 Ca 0.26 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.37 3khs s THR 184 Cb 0.17 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 3khs s THR 184 CO 0.12 0.53 0.03 -1.00 -0.69 0.00 0.00 174.62 173.61 3khs s HIS 185 N 1.11 1.89 -0.08 4.92 0.09 0.98 -4.90 115.29 119.29 3khs s HIS 185 Ca -0.00 -0.93 -0.01 0.00 -0.00 0.00 0.00 55.06 54.12 3khs s HIS 185 Cb -0.14 -1.64 0.03 0.00 -0.00 0.00 0.00 32.58 30.83 3khs s HIS 185 CO -0.08 0.20 -0.03 -2.00 -0.00 0.00 0.00 174.74 172.83 3khs s GLU 186 N -3.89 0.99 0.02 1.40 2.12 -1.26 0.07 118.70 118.15 3khs s GLU 186 Ca 0.09 -0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.36 3khs s GLU 186 Cb 0.02 -1.20 0.00 0.00 0.26 0.00 0.00 34.13 33.21 3khs s GLU 186 CO 0.05 -0.27 0.03 0.41 -0.54 0.00 0.00 175.26 174.94 3khs n GLY 187 N 4.96 1.97 3.69 -1.50 0.00 -0.42 -4.92 105.19 108.97 3khs n GLY 187 Ca -0.11 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.96 5.21 -0.24 1.61 1.01 -1.26 -1.14 120.40 122.63 3khs s VAL 188 Ca 0.01 0.73 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 3khs s VAL 188 Cb -0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3khs s VAL 188 CO 0.00 0.28 0.25 -0.47 0.00 0.00 0.00 175.10 175.17 3khs s TYR 189 N 1.07 3.30 -0.24 5.22 5.04 -0.04 -1.33 117.35 130.35 3khs s TYR 189 Ca 0.20 0.32 -0.08 0.00 -2.44 0.00 0.00 57.07 55.07 3khs s TYR 189 Cb -0.14 -2.40 -0.04 0.00 0.35 0.00 0.00 41.96 39.73 3khs s TYR 189 CO 0.08 -0.04 0.10 0.00 -1.34 0.00 0.00 175.55 174.34 3khs s VAL 192 N 0.94 2.22 0.05 0.00 -7.23 -0.75 -2.29 120.40 113.34 3khs s VAL 192 Ca 0.13 -2.08 -0.21 0.00 -1.81 0.00 0.00 61.98 58.01 3khs s VAL 192 Cb -0.13 -2.81 -0.14 0.00 0.56 0.00 0.00 36.38 33.86 3khs s VAL 192 CO 0.05 -0.12 1.42 -1.13 -0.31 0.00 0.00 175.10 175.01 3khs h ASN 193 N 1.87 0.27 -4.13 4.85 -1.24 -1.92 -3.39 115.58 111.90 3khs h ASN 193 Ca -0.43 -0.38 0.00 0.00 0.71 0.00 0.00 56.30 56.20 3khs h ASN 193 Cb 1.25 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.22 3khs h ASN 193 CO 0.73 0.59 0.00 0.61 -1.29 0.00 0.00 177.43 178.07 3khs n GLY 194 N -0.10 -2.20 0.14 1.57 0.00 -1.26 -3.66 105.19 99.69 3khs n GLY 194 Ca -0.06 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.25 0.48 -2.54 1.61 -0.04 -1.26 -4.79 135.00 128.21 3khs n PRO 195 Ca 0.00 -0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 62.79 3khs n PRO 195 Cb 0.00 -1.49 -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 -2.71 7.25 0.69 3.54 1.04 -1.26 -5.02 113.70 117.22 3khs s SER 196 Ca 0.19 2.17 -0.11 0.00 0.48 0.00 0.00 55.95 58.68 3khs s SER 196 Cb 0.19 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.70 3khs s SER 196 CO 0.59 -0.15 1.06 -0.36 0.98 0.00 0.00 173.24 175.37 3khs s PHE 197 N -1.25 3.05 0.55 5.02 0.08 -1.26 -5.01 117.98 119.16 3khs s PHE 197 Ca 0.46 1.44 -0.16 0.00 0.12 0.00 0.00 56.93 58.79 3khs s PHE 197 Cb -0.29 -2.91 -0.06 0.00 -0.57 0.00 0.00 43.02 39.19 3khs s PHE 197 CO 0.37 -1.27 1.02 -1.83 -0.10 0.00 0.00 175.22 173.41 3khs s GLU 198 N -4.93 3.67 0.79 0.44 1.03 -1.26 -5.05 118.70 113.40 3khs s GLU 198 Ca 0.59 1.07 -0.11 0.00 0.03 0.00 0.00 54.97 56.55 3khs s GLU 198 Cb -0.15 -2.09 0.07 0.00 -0.80 0.00 0.00 34.13 31.16 3khs s GLU 198 CO 0.53 -0.51 1.09 0.95 -1.33 0.00 0.00 175.26 175.98 3khs s THR 199 N -2.54 3.25 0.26 1.83 -4.23 -1.26 -4.78 115.64 108.18 3khs s THR 199 Ca 0.61 0.41 -0.04 0.00 -1.18 0.00 0.00 61.69 61.49 3khs s THR 199 Cb -0.13 -3.02 0.27 0.00 1.34 0.00 0.00 72.50 70.96 3khs s THR 199 CO 0.34 -0.53 1.91 -0.65 -0.54 0.00 0.00 174.62 175.14 3khs h PRO 200 N -1.13 1.21 -0.14 3.99 0.11 -1.93 0.82 132.00 134.93 3khs h PRO 200 Ca -0.46 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 3khs h PRO 200 Cb 1.25 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3khs h PRO 200 CO 0.56 0.80 -0.12 0.00 -0.21 0.00 0.00 178.00 179.03 3khs h ALA 201 N 1.43 1.55 0.03 -0.75 0.00 -1.92 -0.82 119.26 118.78 3khs h ALA 201 Ca 0.40 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 3khs h ALA 201 Cb 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3khs h ALA 201 CO -0.13 0.32 -1.05 0.93 0.00 0.00 0.00 179.25 179.33 3khs h GLU 202 N 0.20 0.49 -0.88 0.00 5.08 -1.47 -2.98 114.58 115.01 3khs h GLU 202 Ca 0.04 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3khs h GLU 202 Cb 0.34 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3khs h GLU 202 CO 0.02 1.21 0.57 0.00 -1.00 0.00 0.00 179.01 179.80 3khs h LYS 204 N 1.20 0.45 -0.77 0.00 1.57 -1.11 -1.11 116.57 116.80 3khs h LYS 204 Ca 0.32 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.12 3khs h LYS 204 Cb -0.11 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.05 3khs h LYS 204 CO -0.07 0.38 0.45 0.82 -0.57 0.00 0.00 179.45 180.46 3khs h ILE 205 N 0.40 0.98 -0.54 1.86 2.04 -1.20 0.72 117.51 121.77 3khs h ILE 205 Ca 0.11 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3khs h ILE 205 Cb 0.06 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 3khs h ILE 205 CO -0.02 0.15 0.27 -0.07 0.00 0.00 0.00 178.15 178.48 3khs h LEU 206 N 0.81 0.67 -0.19 1.44 4.07 -0.54 -0.16 115.31 121.41 3khs h LEU 206 Ca 0.35 -0.06 -0.18 0.00 0.08 0.00 0.00 57.88 58.07 3khs h LEU 206 Cb 0.21 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 41.79 3khs h LEU 206 CO -0.19 0.56 -0.57 0.03 -1.08 0.00 0.00 178.44 177.19 3khs h ARG 207 N 0.76 0.72 -0.13 1.13 3.08 -0.25 -2.40 114.38 117.29 3khs h ARG 207 Ca 0.19 -0.52 0.04 0.00 0.07 0.00 0.00 59.98 59.76 3khs h ARG 207 Cb 0.06 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3khs h ARG 207 CO -0.03 1.14 0.10 -0.07 -1.07 0.00 0.00 179.97 180.05 3khs h LEU 208 N 0.43 0.00 -0.05 3.04 3.38 0.19 -0.65 115.31 121.66 3khs h LEU 208 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3khs h LEU 208 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3khs h LEU 208 CO 0.12 0.00 -0.03 0.23 0.09 0.00 0.00 178.44 178.85 3khs n MET 209 N -4.38 0.50 -0.87 1.13 2.81 -0.18 -4.91 117.12 111.22 3khs n MET 209 Ca 0.00 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 3khs n MET 209 Cb 0.22 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 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 1.28 1.10 3.76 3.03 0.00 -0.25 -5.06 105.19 109.04 3khs n GLY 210 Ca 0.15 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.49 7.11 -0.06 1.61 0.01 -0.93 -4.73 113.70 114.22 3khs s SER 211 Ca 0.00 1.32 0.18 0.00 1.31 0.00 0.00 55.95 58.76 3khs s SER 211 Cb 0.00 -2.42 -0.22 0.00 0.21 0.00 0.00 66.02 63.59 3khs s SER 211 CO 0.00 0.08 0.47 0.47 0.41 0.00 0.00 173.24 174.66 3khs n ASP 212 N 2.65 0.38 -3.72 2.44 8.00 -0.45 -4.50 116.55 121.36 3khs n ASP 212 Ca -0.05 0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.50 3khs n ASP 212 Cb 0.50 0.80 -0.07 0.00 -0.02 0.00 0.00 41.12 42.33 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 -2.85 -0.83 -0.05 2.24 0.00 -1.02 -0.34 121.76 118.92 3khs s ALA 213 Ca -0.07 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3khs s ALA 213 Cb 0.09 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.48 3khs s ALA 213 CO 0.84 -0.39 -0.12 0.54 0.00 0.00 0.00 175.76 176.62 3khs s VAL 214 N -2.25 1.07 0.34 0.00 0.11 0.00 -0.67 120.40 119.00 3khs s VAL 214 Ca -0.07 -0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 3khs s VAL 214 Cb -0.02 -0.96 -0.00 0.00 -1.53 0.00 0.00 36.38 33.87 3khs s VAL 214 CO -0.01 0.33 0.43 -0.83 -3.33 0.00 0.00 175.10 171.69 3khs s GLY 215 N 0.36 1.64 -0.32 6.54 0.00 -0.63 -1.53 107.32 113.37 3khs s GLY 215 Ca -0.08 -1.63 0.08 0.00 0.00 0.00 0.00 44.72 43.09 3khs s GLY 215 CO 0.02 -1.10 1.45 1.03 0.00 0.00 0.00 173.10 174.50 3khs n MET 216 N -0.57 2.20 0.00 2.90 2.81 -1.26 -1.81 117.12 121.40 3khs n MET 216 Ca 0.02 -3.39 0.00 0.00 -1.81 0.00 0.00 57.70 52.52 3khs n MET 216 Cb 0.62 -1.93 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 -1.04 0.00 0.00 7.83 3.41 -1.26 -4.58 113.62 117.98 3khs n SER 217 Ca 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 3khs n SER 217 Cb 0.97 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 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 -0.04 6.66 -1.04 -1.26 -4.53 114.28 114.06 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 0.21 -0.25 2.41 0.00 -1.95 -0.54 119.26 119.14 3khs h ALA 219 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3khs h ALA 219 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3khs h ALA 219 CO 0.00 -0.37 0.02 -1.00 0.00 0.00 0.00 179.25 177.90 3khs h PRO 220 N 0.14 0.37 -0.46 0.00 0.13 -1.99 -1.33 132.00 128.86 3khs h PRO 220 Ca 0.09 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 65.04 3khs h PRO 220 Cb 0.07 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 3khs h PRO 220 CO -0.10 0.38 -0.18 0.93 -0.23 0.00 0.00 178.00 178.80 3khs h GLU 221 N 0.36 0.91 0.00 0.86 5.08 -1.71 -2.50 114.58 117.57 3khs h GLU 221 Ca 0.08 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 3khs h GLU 221 Cb 0.21 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3khs h GLU 221 CO 0.00 1.01 -0.35 1.79 -1.00 0.00 0.00 179.01 180.47 3khs h THR 222 N 0.79 0.63 -0.11 1.13 1.35 -0.69 -0.64 112.91 115.37 3khs h THR 222 Ca 0.11 -1.75 -0.01 0.00 -0.55 0.00 0.00 66.41 64.22 3khs h THR 222 Cb 0.73 2.20 -0.00 0.00 -1.73 0.00 0.00 68.15 69.35 3khs h THR 222 CO 0.06 0.34 0.04 0.40 -0.25 0.00 0.00 175.52 176.11 3khs h ILE 223 N 0.00 1.16 -0.34 6.82 2.04 -1.08 -0.13 117.51 125.98 3khs h ILE 223 Ca -0.00 -0.48 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 3khs h ILE 223 Cb 1.18 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 3khs h ILE 223 CO 0.04 0.14 -0.16 0.58 0.00 0.00 0.00 178.15 178.75 3khs h VAL 224 N 0.02 1.29 -0.15 1.67 2.07 -1.36 -2.11 116.25 117.67 3khs h VAL 224 Ca 0.04 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 3khs h VAL 224 Cb 0.19 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3khs h VAL 224 CO -0.00 0.42 0.06 0.00 0.02 0.00 0.00 177.57 178.07 3khs h ALA 225 N 0.78 0.20 -0.77 1.67 0.00 -1.05 -0.93 119.26 119.17 3khs h ALA 225 Ca 0.08 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3khs h ALA 225 Cb 0.70 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 3khs h ALA 225 CO 0.05 -0.22 0.41 -0.22 0.00 0.00 0.00 179.25 179.27 3khs h LYS 226 N 0.10 0.67 -0.19 0.00 1.63 -1.03 0.11 116.57 117.86 3khs h LYS 226 Ca 0.05 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 3khs h LYS 226 Cb 0.16 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 3khs h LYS 226 CO -0.00 0.44 -0.19 1.25 -3.45 0.00 0.00 179.45 177.50 3khs h HIS 227 N 0.69 0.36 -0.16 1.91 2.76 -1.11 -2.00 115.15 117.60 3khs h HIS 227 Ca 0.37 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 3khs h HIS 227 Cb 0.37 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.24 3khs h HIS 227 CO -0.09 0.51 0.00 0.41 -1.30 0.00 0.00 177.93 177.46 3khs n GLY 228 N -0.64 1.22 2.28 5.26 0.00 -0.08 -4.54 105.19 108.69 3khs n GLY 228 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 0.36 0.53 3.92 -0.02 0.00 -0.75 -4.98 105.19 104.26 3khs n GLY 229 Ca 0.07 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.31 3.55 -0.05 1.61 -1.94 -0.55 -5.00 119.30 115.60 3khs s MET 230 Ca 0.00 -0.25 -0.14 0.00 -1.71 0.00 0.00 55.69 53.59 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 0.35 0.38 1.03 -0.01 0.00 0.00 175.02 176.77 3khs s ARG 231 N -3.39 3.99 0.08 2.03 0.52 -0.36 -4.04 118.95 117.77 3khs s ARG 231 Ca 0.40 0.32 0.09 0.00 -0.52 0.00 0.00 55.73 56.02 3khs s ARG 231 Cb -0.11 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 3khs s ARG 231 CO 0.29 0.55 -0.23 0.00 0.02 0.00 0.00 175.30 175.93 3khs s LEU 233 N -1.64 1.15 -0.01 0.00 2.96 -0.65 -2.15 118.68 118.33 3khs s LEU 233 Ca 0.14 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3khs s LEU 233 Cb -0.10 -0.06 -0.00 0.00 0.50 0.00 0.00 46.19 46.53 3khs s LEU 233 CO 0.05 -0.12 -0.07 0.00 -1.32 0.00 0.00 176.35 174.90 3khs s ALA 234 N 0.99 0.61 -0.07 5.97 0.00 -1.26 0.14 121.76 128.13 3khs s ALA 234 Ca -0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 3khs s ALA 234 Cb -0.12 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3khs s ALA 234 CO -0.03 0.12 -0.04 0.08 0.00 0.00 0.00 175.76 175.89 3khs s VAL 235 N 0.04 0.60 -0.14 0.00 1.01 -0.19 -0.35 120.40 121.36 3khs s VAL 235 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 3khs s VAL 235 Cb -0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3khs s VAL 235 CO -0.00 0.27 0.13 -0.44 0.00 0.00 0.00 175.10 175.06 3khs s SER 236 N 1.48 6.26 -0.31 3.32 0.01 0.31 -2.68 113.70 122.09 3khs s SER 236 Ca -0.02 0.37 -0.22 0.00 1.31 0.00 0.00 55.95 57.40 3khs s SER 236 Cb -0.13 -2.04 -0.00 0.00 0.21 0.00 0.00 66.02 64.05 3khs s SER 236 CO -0.03 0.34 0.70 -0.22 0.41 0.00 0.00 173.24 174.44 3khs s LEU 237 N -0.59 4.12 -0.94 2.44 1.98 0.77 0.23 118.68 126.70 3khs s LEU 237 Ca 0.13 0.52 -0.24 0.00 -2.89 0.00 0.00 54.13 51.65 3khs s LEU 237 Cb -0.12 -2.94 0.03 0.00 0.66 0.00 0.00 46.19 43.83 3khs s LEU 237 CO 0.02 -0.55 1.48 -0.63 -1.89 0.00 0.00 176.35 174.79 3khs s ILE 238 N 2.78 3.81 0.20 6.68 -1.09 0.33 -0.67 121.20 133.25 3khs s ILE 238 Ca 0.29 -0.45 0.17 0.00 -2.23 0.00 0.00 60.65 58.43 3khs s ILE 238 Cb -0.14 -4.88 0.11 0.00 -1.58 0.00 0.00 42.46 35.97 3khs s ILE 238 CO 0.12 -1.78 1.73 0.77 -1.23 0.00 0.00 174.94 174.55 3khs h SER 239 N 10.18 0.00 -5.16 3.58 4.64 -1.61 0.19 113.55 125.37 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 -0.09 0.00 -0.31 0.00 0.00 62.40 63.02 3khs h SER 239 CO 1.37 0.40 -0.03 0.54 -0.87 0.00 0.00 176.83 178.24 3khs s ASN 240 N -6.52 -0.16 0.02 4.97 4.22 -1.24 -4.65 114.94 111.57 3khs s ASN 240 Ca -0.00 -0.76 0.01 0.00 -2.14 0.00 0.00 52.86 49.97 3khs s ASN 240 Cb 0.11 0.60 -0.01 0.00 1.28 0.00 0.00 41.25 43.23 3khs s ASN 240 CO 0.70 -1.14 -0.05 -0.69 -2.04 0.00 0.00 177.10 173.87 3khs s VAL 241 N -3.96 0.36 -0.11 3.54 1.01 -1.26 -0.27 120.40 119.71 3khs s VAL 241 Ca 0.17 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 3khs s VAL 241 Cb -0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 3khs s VAL 241 CO 0.05 -0.17 0.29 -0.63 0.00 0.00 0.00 175.10 174.64 3khs s ILE 242 N -0.76 5.28 1.03 2.22 1.01 -0.11 -4.89 121.20 124.98 3khs s ILE 242 Ca -0.05 0.55 -0.13 0.00 0.00 0.00 0.00 60.65 61.02 3khs s ILE 242 Cb -0.06 -3.60 0.21 0.00 0.01 0.00 0.00 42.46 39.02 3khs s ILE 242 CO -0.00 0.49 1.09 0.00 0.00 0.00 0.00 174.94 176.51 3khs s ALA 243 N -0.23 0.74 0.44 9.38 0.00 -1.08 -4.81 121.76 126.19 3khs s ALA 243 Ca 0.18 -0.39 0.15 0.00 0.00 0.00 0.00 51.96 51.90 3khs s ALA 243 Cb -0.14 -3.11 1.06 0.00 0.00 0.00 0.00 23.12 20.93 3khs s ALA 243 CO 0.06 -3.01 1.96 0.66 0.00 0.00 0.00 175.76 175.44 3khs h SER 244 N -2.02 0.35 0.00 0.00 4.64 -1.95 0.43 113.55 114.99 3khs h SER 244 Ca -0.56 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3khs h SER 244 Cb 1.33 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3khs h SER 244 CO 0.57 0.20 0.00 -0.46 -0.87 0.00 0.00 176.83 176.27 3khs n ASN 245 N -4.47 0.00 -2.30 4.97 6.94 -1.26 -4.90 115.26 114.24 3khs n ASN 245 Ca 0.11 -0.97 -0.10 0.00 -0.02 0.00 0.00 54.58 53.60 3khs n ASN 245 Cb 0.43 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.90 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 -2.71 0.00 0.00 0.00 1.02 -1.26 -4.07 120.64 113.62 3khs n GLU 247 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 3khs n GLU 247 Cb 0.59 -0.51 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 3khs n GLU 247 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3khs n ALA 260 N -2.30 0.00 -0.16 0.62 0.00 -1.26 -2.65 120.51 114.77 3khs n ALA 260 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3khs n ALA 260 Cb 0.23 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.18 3khs n ALA 260 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3khs h GLY 261 N 0.00 0.68 1.54 0.00 0.00 -1.99 -2.29 103.07 101.01 3khs h GLY 261 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 3khs h GLY 261 CO 0.00 0.06 -0.37 0.83 0.00 0.00 0.00 176.54 177.07 3khs h GLU 262 N 0.41 0.51 -0.32 4.80 4.39 -1.99 -0.07 114.58 122.31 3khs h GLU 262 Ca 0.36 -0.24 -0.17 0.00 0.34 0.00 0.00 59.36 59.65 3khs h GLU 262 Cb 0.83 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3khs h GLU 262 CO -0.11 0.80 -0.48 0.93 -1.16 0.00 0.00 179.01 178.99 3khs h GLU 263 N 0.43 0.89 -0.22 2.33 5.08 -1.87 -1.60 114.58 119.61 3khs h GLU 263 Ca 0.04 -0.53 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 3khs h GLU 263 Cb 0.84 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3khs h GLU 263 CO 0.07 1.17 0.09 0.00 -1.00 0.00 0.00 179.01 179.34 3khs h ALA 264 N 0.71 0.26 -0.55 3.43 0.00 -1.23 -0.88 119.26 120.99 3khs h ALA 264 Ca 0.03 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3khs h ALA 264 Cb 1.08 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3khs h ALA 264 CO 0.11 -0.33 0.25 1.03 0.00 0.00 0.00 179.25 180.32 3khs h SER 265 N 0.20 0.33 0.12 0.00 0.87 -0.82 0.23 113.55 114.48 3khs h SER 265 Ca 0.09 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3khs h SER 265 Cb 0.05 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3khs h SER 265 CO -0.09 0.22 -0.06 0.00 -0.53 0.00 0.00 176.83 176.38 3khs h ALA 266 N 1.33 -0.16 -0.34 6.23 0.00 -0.87 -1.00 119.26 124.44 3khs h ALA 266 Ca 0.26 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3khs h ALA 266 Cb 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3khs h ALA 266 CO -0.21 -0.55 0.20 0.00 0.00 0.00 0.00 179.25 178.70 3khs h ARG 267 N -0.25 0.40 -0.46 0.00 3.08 -0.85 -1.30 114.38 115.00 3khs h ARG 267 Ca -0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3khs h ARG 267 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3khs h ARG 267 CO 0.03 0.27 0.26 1.98 -1.07 0.00 0.00 179.97 181.44 3khs h MET 268 N 0.42 0.63 -0.67 0.04 4.05 -0.92 -0.92 114.93 117.56 3khs h MET 268 Ca 0.13 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.52 3khs h MET 268 Cb -0.01 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 3khs h MET 268 CO -0.06 0.48 0.40 1.15 0.23 0.00 0.00 176.91 179.12 3khs h THR 269 N 0.61 1.06 -0.24 -0.77 2.02 -0.87 0.11 112.91 114.82 3khs h THR 269 Ca 0.16 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3khs h THR 269 Cb 0.02 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3khs h THR 269 CO -0.03 0.14 0.08 0.00 0.37 0.00 0.00 175.52 176.09 3khs h ALA 270 N 1.30 0.32 -0.35 6.16 0.00 -0.95 -1.77 119.26 123.97 3khs h ALA 270 Ca 0.28 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3khs h ALA 270 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3khs h ALA 270 CO -0.13 -0.07 0.21 1.25 0.00 0.00 0.00 179.25 180.52 3khs h LEU 271 N 0.23 0.34 -0.69 0.00 5.85 -0.67 -0.94 115.31 119.43 3khs h LEU 271 Ca 0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3khs h LEU 271 Cb 0.22 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3khs h LEU 271 CO -0.00 0.24 0.33 0.58 -0.34 0.00 0.00 178.44 179.25 3khs h VAL 272 N 0.42 1.23 -0.13 1.05 2.07 -0.91 -1.05 116.25 118.93 3khs h VAL 272 Ca 0.14 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3khs h VAL 272 Cb -0.00 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3khs h VAL 272 CO -0.06 0.27 0.07 0.11 0.02 0.00 0.00 177.57 177.98 3khs h LYS 273 N 0.96 0.18 -0.49 1.57 1.57 -0.90 0.34 116.57 119.80 3khs h LYS 273 Ca 0.24 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3khs h LYS 273 Cb 0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3khs h LYS 273 CO -0.03 0.19 0.28 1.25 -0.57 0.00 0.00 179.45 180.57 3khs h LEU 274 N 0.12 0.59 -0.57 2.94 6.46 -1.01 -0.69 115.31 123.15 3khs h LEU 274 Ca 0.05 -0.03 -0.15 0.00 -0.12 0.00 0.00 57.88 57.62 3khs h LEU 274 Cb 0.06 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 3khs h LEU 274 CO -0.01 0.47 -0.53 0.58 -0.62 0.00 0.00 178.44 178.33 3khs h VAL 275 N 0.68 1.32 -0.05 1.05 2.07 -0.67 -2.20 116.25 118.46 3khs h VAL 275 Ca 0.18 -1.77 -0.09 0.00 0.82 0.00 0.00 66.70 65.83 3khs h VAL 275 Cb -0.00 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3khs h VAL 275 CO -0.03 0.55 -0.39 0.40 0.02 0.00 0.00 177.57 178.11 3khs h ILE 276 N 0.40 1.29 -0.25 4.57 2.04 0.09 -1.76 117.51 123.89 3khs h ILE 276 Ca 0.01 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 3khs h ILE 276 Cb 1.06 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3khs h ILE 276 CO 0.10 0.41 0.02 -0.08 0.00 0.00 0.00 178.15 178.60 3khs h GLU 277 N 0.09 0.43 0.00 2.37 4.81 -0.75 -1.94 114.58 119.58 3khs h GLU 277 Ca 0.01 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3khs h GLU 277 Cb 0.74 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 3khs h GLU 277 CO 0.06 0.57 -0.13 0.87 -0.73 0.00 0.00 179.01 179.65 3khs h LYS 278 N 0.22 0.00 -0.18 1.92 1.57 -1.15 -2.47 116.57 116.48 3khs h LYS 278 Ca 0.07 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.67 3khs h LYS 278 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3khs h LYS 278 CO 0.01 0.13 -0.63 0.82 -0.57 0.00 0.00 179.45 179.20 3khs h ILE 279 N 0.00 1.31 -0.12 1.86 2.04 -0.94 -3.20 117.51 118.47 3khs h ILE 279 Ca -0.00 -1.89 -0.03 0.00 1.00 0.00 0.00 64.86 63.94 3khs h ILE 279 Cb 0.25 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3khs h ILE 279 CO 0.02 0.59 -0.05 -0.09 0.00 0.00 0.00 178.15 178.62 3khs h ARG 280 N 0.47 0.18 -0.62 2.37 2.43 -0.87 -2.36 114.38 115.98 3khs h ARG 280 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3khs h ARG 280 Cb 1.22 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3khs h ARG 280 CO 0.12 0.24 0.00 0.41 -1.51 0.00 0.00 179.97 179.24 3khs n GLY 281 N -1.15 1.68 3.97 2.80 0.00 -1.20 -4.93 105.19 106.35 3khs n GLY 281 Ca -0.01 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 3khs n GLY 281 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3khs s GLU 282 N -1.74 2.21 0.00 1.61 2.12 -0.89 -5.10 118.70 116.91 3khs s GLU 282 Ca 0.27 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.81 3khs s GLU 282 Cb 0.18 -2.38 0.00 0.00 0.26 0.00 0.00 34.13 32.19 3khs s GLU 282 CO 0.12 -1.03 0.00 -0.11 -0.54 0.00 0.00 175.26 173.70