#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khr s ILE 2 N 0.00 0.53 -0.10 -0.61 1.01 -1.26 -4.36 121.20 116.40 3khr s ILE 2 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.63 3khr s ILE 2 Cb 0.00 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 3khr s ILE 2 CO 0.00 0.24 -0.14 -0.69 0.00 0.00 0.00 174.94 174.35 3khr s VAL 3 N 1.90 3.04 -0.16 2.92 1.01 0.49 -1.84 120.40 127.77 3khr s VAL 3 Ca 0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 3khr s VAL 3 Cb -0.13 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3khr s VAL 3 CO -0.06 0.55 -0.08 -0.22 0.00 0.00 0.00 175.10 175.28 3khr s LEU 4 N 0.00 2.89 -0.09 3.92 0.20 0.51 -2.01 118.68 124.09 3khr s LEU 4 Ca -0.04 -0.30 0.04 0.00 0.69 0.00 0.00 54.13 54.52 3khr s LEU 4 Cb -0.14 -1.69 -0.01 0.00 -0.43 0.00 0.00 46.19 43.93 3khr s LEU 4 CO 0.04 0.11 -0.22 0.12 -0.29 0.00 0.00 176.35 176.11 3khr s PHE 5 N 0.68 2.58 -0.08 5.38 5.36 0.13 0.12 117.98 132.15 3khr s PHE 5 Ca -0.04 -0.88 0.03 0.00 -0.96 0.00 0.00 56.93 55.08 3khr s PHE 5 Cb -0.15 -1.71 -0.01 0.00 -0.34 0.00 0.00 43.02 40.81 3khr s PHE 5 CO 0.02 -0.32 -0.19 0.08 -1.46 0.00 0.00 175.22 173.35 3khr s VAL 6 N 0.20 2.54 -0.08 3.12 1.01 -0.05 -1.24 120.40 125.90 3khr s VAL 6 Ca -0.13 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 3khr s VAL 6 Cb -0.17 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.26 3khr s VAL 6 CO 0.07 0.56 0.05 -0.62 0.00 0.00 0.00 175.10 175.16 3khr s ASP 7 N -0.03 1.58 0.26 3.32 -1.08 -0.59 -1.85 116.67 118.27 3khr s ASP 7 Ca -0.05 -0.15 -0.30 0.00 -0.52 0.00 0.00 52.55 51.53 3khr s ASP 7 Cb -0.14 -0.24 -0.09 0.00 -1.46 0.00 0.00 42.92 40.98 3khr s ASP 7 CO 0.05 -0.26 1.03 -0.36 0.52 0.00 0.00 175.17 176.14 3khr s PHE 8 N 2.11 3.76 0.10 -5.34 0.08 -0.46 -0.85 117.98 117.38 3khr s PHE 8 Ca 0.04 1.80 -0.30 0.00 0.12 0.00 0.00 56.93 58.59 3khr s PHE 8 Cb -0.13 -3.15 -0.06 0.00 -0.57 0.00 0.00 43.02 39.11 3khr s PHE 8 CO -0.05 -0.11 1.03 -0.51 -0.10 0.00 0.00 175.22 175.49 3khr s ASP 9 N -1.00 7.36 -0.68 1.36 1.01 -0.78 -4.01 116.67 119.93 3khr s ASP 9 Ca 0.43 1.88 -0.09 0.00 0.71 0.00 0.00 52.55 55.48 3khr s ASP 9 Cb -0.29 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.06 3khr s ASP 9 CO 0.37 -0.19 0.16 0.00 0.21 0.00 0.00 175.17 175.72 3khr n TYR 10 N 3.00 -0.64 0.01 4.23 0.18 -1.26 -4.57 117.16 118.11 3khr n TYR 10 Ca 0.04 0.16 -0.15 0.00 1.88 0.00 0.00 57.90 59.83 3khr n TYR 10 Cb 0.48 -1.36 -0.10 0.00 -0.38 0.00 0.00 39.34 37.98 3khr n TYR 10 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3khr h PHE 11 N -0.06 -1.59 -0.41 -3.48 3.57 -1.95 -0.46 116.94 112.57 3khr h PHE 11 Ca -0.34 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.22 3khr h PHE 11 Cb 0.69 0.71 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 3khr h PHE 11 CO 0.22 -0.55 0.25 1.88 -2.23 0.00 0.00 178.31 177.88 3khr h TYR 12 N -0.61 0.53 -0.80 0.41 -1.99 -1.95 -1.62 116.97 110.94 3khr h TYR 12 Ca 0.02 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 3khr h TYR 12 Cb 0.69 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 39.21 3khr h TYR 12 CO -0.56 0.36 0.40 0.00 -0.00 0.00 0.00 178.16 178.36 3khr h ALA 13 N 1.12 1.03 -0.71 3.88 0.00 -1.81 -2.46 119.26 120.31 3khr h ALA 13 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3khr h ALA 13 Cb -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3khr h ALA 13 CO -0.03 0.58 0.35 0.37 0.00 0.00 0.00 179.25 180.52 3khr h GLN 14 N 1.13 1.02 -0.59 0.00 4.15 -0.63 -0.66 115.11 119.52 3khr h GLN 14 Ca 0.28 -0.14 0.05 0.00 0.77 0.00 0.00 58.65 59.60 3khr h GLN 14 Cb 0.09 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.55 3khr h GLN 14 CO -0.04 0.79 0.32 0.28 -1.93 0.00 0.00 178.83 178.26 3khr h VAL 15 N 0.99 0.98 -0.45 2.39 2.07 -1.13 -0.72 116.25 120.38 3khr h VAL 15 Ca 0.25 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3khr h VAL 15 Cb 0.10 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3khr h VAL 15 CO -0.03 0.11 0.20 -0.33 0.02 0.00 0.00 177.57 177.54 3khr h GLU 16 N 0.62 0.62 -0.31 1.57 4.39 -0.88 -0.78 114.58 119.81 3khr h GLU 16 Ca 0.26 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.74 3khr h GLU 16 Cb 0.13 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3khr h GLU 16 CO -0.16 0.50 -0.37 0.93 -1.16 0.00 0.00 179.01 178.75 3khr h GLU 17 N 0.63 0.72 -0.46 2.33 5.08 -0.43 0.84 114.58 123.28 3khr h GLU 17 Ca 0.16 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3khr h GLU 17 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3khr h GLU 17 CO -0.02 0.97 0.25 0.28 -1.00 0.00 0.00 179.01 179.49 3khr h VAL 18 N 0.60 1.16 -0.12 3.13 2.07 -0.45 -1.79 116.25 120.86 3khr h VAL 18 Ca 0.06 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 3khr h VAL 18 Cb 0.90 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3khr h VAL 18 CO 0.08 0.17 -0.43 -0.07 0.02 0.00 0.00 177.57 177.35 3khr h LEU 19 N 0.61 0.29 -6.72 2.57 4.07 -1.05 -3.36 115.31 111.71 3khr h LEU 19 Ca 0.16 -0.13 -0.60 0.00 0.08 0.00 0.00 57.88 57.40 3khr h LEU 19 Cb 0.05 -0.08 -0.39 0.00 1.08 0.00 0.00 40.66 41.32 3khr h LEU 19 CO -0.03 0.69 -0.81 0.21 -1.08 0.00 0.00 178.44 177.42 3khr s ASN 20 N -6.88 2.98 0.61 -0.43 3.84 0.28 -5.01 114.94 110.33 3khr s ASN 20 Ca -0.05 -2.79 0.36 0.00 0.21 0.00 0.00 52.86 50.59 3khr s ASN 20 Cb 0.13 -0.78 1.95 0.00 -0.55 0.00 0.00 41.25 42.00 3khr s ASN 20 CO 0.78 -0.23 2.09 -0.65 -2.79 0.00 0.00 177.10 176.31 3khr h PRO 21 N 6.32 0.00 0.00 0.43 0.11 -1.49 -1.35 132.00 136.02 3khr h PRO 21 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3khr h PRO 21 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3khr h PRO 21 CO 0.42 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.87 3khr h SER 22 N 0.00 0.00 0.78 -2.05 4.64 -1.95 -2.53 113.55 112.44 3khr h SER 22 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3khr h SER 22 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3khr h SER 22 CO 0.00 0.00 -0.63 -0.07 -0.87 0.00 0.00 176.83 175.26 3khr h LEU 23 N 0.00 0.00 -9.64 5.97 4.07 -1.55 -3.46 115.31 110.70 3khr h LEU 23 Ca 0.00 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.39 3khr h LEU 23 Cb 0.16 0.00 0.09 0.00 1.08 0.00 0.00 40.66 41.99 3khr h LEU 23 CO 0.00 0.63 0.64 1.17 -1.08 0.00 0.00 178.44 179.80 3khr n LYS 24 N -3.63 2.15 -0.95 1.13 4.81 -0.96 -1.93 118.16 118.78 3khr n LYS 24 Ca -0.01 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 3khr n LYS 24 Cb 0.66 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.28 3khr n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3khr n GLY 25 N 1.96 0.81 3.30 3.14 0.00 -1.26 -5.02 105.19 108.12 3khr n GLY 25 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 3khr n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khr s LYS 26 N -0.05 1.19 0.27 1.61 1.02 -0.82 -5.02 119.74 117.95 3khr s LYS 26 Ca 0.00 -1.33 -0.30 0.00 0.02 0.00 0.00 55.97 54.36 3khr s LYS 26 Cb 0.00 -1.23 -0.11 0.00 -0.52 0.00 0.00 37.83 35.97 3khr s LYS 26 CO 0.00 0.25 1.54 -2.14 -0.92 0.00 0.00 175.35 174.08 3khr s PRO 27 N -2.64 4.18 -0.04 -1.68 0.02 -1.26 -4.80 135.00 128.79 3khr s PRO 27 Ca 0.13 2.47 0.02 0.00 0.02 0.00 0.00 61.00 63.63 3khr s PRO 27 Cb -0.06 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.41 3khr s PRO 27 CO 0.05 -0.55 -0.08 0.08 -0.33 0.00 0.00 177.00 176.17 3khr s VAL 28 N 0.04 0.73 -0.13 3.83 1.01 -1.26 -1.69 120.40 122.93 3khr s VAL 28 Ca 0.62 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.32 3khr s VAL 28 Cb -0.45 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.26 3khr s VAL 28 CO 0.46 0.25 -0.13 -0.69 0.00 0.00 0.00 175.10 174.98 3khr s VAL 29 N 0.54 1.46 -0.20 2.92 1.01 0.23 -1.65 120.40 124.71 3khr s VAL 29 Ca -0.08 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 3khr s VAL 29 Cb -0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3khr s VAL 29 CO 0.01 0.44 0.29 -0.69 0.00 0.00 0.00 175.10 175.15 3khr s VAL 30 N 1.37 5.28 -0.02 2.92 1.01 -0.39 -0.70 120.40 129.87 3khr s VAL 30 Ca 0.01 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.56 3khr s VAL 30 Cb -0.13 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3khr s VAL 30 CO -0.08 0.32 -0.25 0.00 0.00 0.00 0.00 175.10 175.09 3khr s VAL 32 N -0.64 5.23 -0.04 0.00 1.01 0.14 -0.40 120.40 125.70 3khr s VAL 32 Ca 0.10 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.11 3khr s VAL 32 Cb -0.10 -4.41 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 3khr s VAL 32 CO -0.01 -0.98 1.04 -0.36 0.00 0.00 0.00 175.10 174.80 3khr s PHE 33 N 1.45 3.53 -0.74 5.22 0.08 -1.26 -1.86 117.98 124.39 3khr s PHE 33 Ca 0.09 1.56 0.24 0.00 0.12 0.00 0.00 56.93 58.94 3khr s PHE 33 Cb -0.23 -3.21 0.35 0.00 -0.57 0.00 0.00 43.02 39.36 3khr s PHE 33 CO 0.00 -0.39 1.31 -1.13 -0.10 0.00 0.00 175.22 174.91 3khr n SER 34 N 4.45 0.62 0.00 1.36 3.41 -0.51 -4.96 113.62 117.99 3khr n SER 34 Ca 0.08 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3khr n SER 34 Cb 0.49 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 3khr n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khr n GLY 35 N 1.39 2.96 0.21 5.00 0.00 -1.26 -4.60 105.19 108.88 3khr n GLY 35 Ca 0.04 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 3khr n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khr n ARG 36 N 0.00 -0.21 -2.03 1.61 5.12 -1.26 -4.82 116.66 115.07 3khr n ARG 36 Ca 0.00 0.99 -0.03 0.00 -1.93 0.00 0.00 57.85 56.88 3khr n ARG 36 Cb 0.00 -1.47 -0.00 0.00 -1.16 0.00 0.00 32.46 29.83 3khr n ARG 36 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 3khr n PHE 37 N -4.18 -0.82 -1.95 -1.55 1.16 -1.26 -4.98 117.46 103.88 3khr n PHE 37 Ca 0.01 -0.53 -0.42 0.00 -1.87 0.00 0.00 57.45 54.64 3khr n PHE 37 Cb 0.13 0.15 -0.03 0.00 -1.61 0.00 0.00 39.48 38.12 3khr n PHE 37 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 3khr s GLU 38 N -2.15 4.20 -1.40 3.97 2.12 -1.26 -2.29 118.70 121.89 3khr s GLU 38 Ca 0.06 2.29 0.00 0.00 0.36 0.00 0.00 54.97 57.68 3khr s GLU 38 Cb -0.00 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.70 3khr s GLU 38 CO 0.04 -0.75 0.00 -0.25 -0.54 0.00 0.00 175.26 173.77 3khr n ASP 39 N 5.90 -4.78 -4.77 -1.70 8.00 -1.26 -5.00 116.55 112.94 3khr n ASP 39 Ca 0.16 0.33 -0.38 0.00 0.71 0.00 0.00 54.79 55.60 3khr n ASP 39 Cb 0.41 -3.45 -0.05 0.00 -0.02 0.00 0.00 41.12 38.01 3khr n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3khr s SER 40 N -2.77 7.18 0.00 -2.24 1.04 -0.97 -3.69 113.70 112.26 3khr s SER 40 Ca 0.00 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.49 3khr s SER 40 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3khr s SER 40 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3khr n GLY 41 N 0.85 0.59 3.21 7.32 0.00 -1.26 -1.43 105.19 114.47 3khr n GLY 41 Ca 0.01 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 3khr n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khr s ALA 42 N -1.66 1.17 0.02 4.61 0.00 -0.78 -1.64 121.76 123.49 3khr s ALA 42 Ca 0.00 -1.52 -0.26 0.00 0.00 0.00 0.00 51.96 50.18 3khr s ALA 42 Cb 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 3khr s ALA 42 CO 0.00 -0.34 0.82 0.08 0.00 0.00 0.00 175.76 176.32 3khr s VAL 43 N -3.73 4.78 -0.08 0.00 1.01 -0.15 0.25 120.40 122.49 3khr s VAL 43 Ca 0.21 1.74 -0.18 0.00 0.00 0.00 0.00 61.98 63.74 3khr s VAL 43 Cb 0.06 -4.17 -0.29 0.00 0.00 0.00 0.00 36.38 31.99 3khr s VAL 43 CO 0.02 0.30 0.69 0.00 0.00 0.00 0.00 175.10 176.10 3khr h ALA 44 N 6.07 0.07 -2.56 5.51 0.00 -1.14 0.48 119.26 127.69 3khr h ALA 44 Ca -0.43 -0.93 0.14 0.00 0.00 0.00 0.00 54.91 53.69 3khr h ALA 44 Cb 1.21 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 3khr h ALA 44 CO 0.73 0.64 0.51 -0.08 0.00 0.00 0.00 179.25 181.04 3khr s THR 45 N -2.45 0.00 0.05 0.00 -1.32 -1.18 -4.45 115.64 106.28 3khr s THR 45 Ca -0.17 -0.68 -0.16 0.00 -1.21 0.00 0.00 61.69 59.47 3khr s THR 45 Cb 0.03 -2.64 0.03 0.00 -1.51 0.00 0.00 72.50 68.41 3khr s THR 45 CO 0.79 0.00 0.37 0.00 -2.21 0.00 0.00 174.62 173.57 3khr s ALA 46 N -2.50 -0.86 1.12 11.08 0.00 -1.26 -1.26 121.76 128.07 3khr s ALA 46 Ca 0.18 0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 3khr s ALA 46 Cb -0.03 0.35 0.25 0.00 0.00 0.00 0.00 23.12 23.70 3khr s ALA 46 CO 0.05 -0.45 1.11 0.54 0.00 0.00 0.00 175.76 177.02 3khr s ASN 47 N -2.08 1.63 0.34 0.00 2.20 -0.66 -4.79 114.94 111.58 3khr s ASN 47 Ca -0.05 0.82 0.11 0.00 -0.94 0.00 0.00 52.86 52.81 3khr s ASN 47 Cb -0.01 -1.22 0.60 0.00 -2.00 0.00 0.00 41.25 38.62 3khr s ASN 47 CO -0.03 -3.71 1.76 1.88 -2.94 0.00 0.00 177.10 174.06 3khr h TYR 48 N -2.29 0.06 -0.55 1.54 -1.99 -1.95 -2.33 116.97 109.46 3khr h TYR 48 Ca -0.49 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.24 3khr h TYR 48 Cb 1.31 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.99 3khr h TYR 48 CO -1.15 0.47 0.34 0.93 -0.00 0.00 0.00 178.16 178.75 3khr h GLU 49 N 0.04 0.67 -0.22 4.88 3.07 -1.92 -2.52 114.58 118.58 3khr h GLU 49 Ca 0.00 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.74 3khr h GLU 49 Cb 0.77 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 3khr h GLU 49 CO 0.06 0.44 -0.20 0.00 -1.40 0.00 0.00 179.01 177.91 3khr h ALA 50 N 1.22 1.25 0.00 3.43 0.00 -1.77 -3.18 119.26 120.22 3khr h ALA 50 Ca 0.21 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3khr h ALA 50 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3khr h ALA 50 CO -0.07 0.49 -0.28 0.00 0.00 0.00 0.00 179.25 179.38 3khr h ARG 51 N 0.36 0.00 -0.85 0.00 3.08 -1.01 -2.08 114.38 113.88 3khr h ARG 51 Ca 0.06 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.32 3khr h ARG 51 Cb 0.56 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 3khr h ARG 51 CO 0.04 0.28 0.58 0.87 -1.07 0.00 0.00 179.97 180.67 3khr h LYS 52 N 0.00 0.26 -0.66 0.04 1.57 -1.47 -1.63 116.57 114.68 3khr h LYS 52 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3khr h LYS 52 Cb 0.69 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3khr h LYS 52 CO 0.04 0.17 0.00 1.19 -0.57 0.00 0.00 179.45 180.28 3khr n PHE 53 N -4.44 0.88 -0.36 -1.35 3.72 -0.79 -4.92 117.46 110.21 3khr n PHE 53 Ca 0.18 -0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 3khr n PHE 53 Cb 0.74 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 3khr n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khr n GLY 54 N 1.58 0.78 3.62 1.37 0.00 -0.61 -4.77 105.19 107.16 3khr n GLY 54 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3khr n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khr s VAL 55 N -2.20 4.83 0.22 1.61 1.01 -1.19 -5.01 120.40 119.68 3khr s VAL 55 Ca 0.00 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.18 3khr s VAL 55 Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3khr s VAL 55 CO 0.00 -0.18 0.24 -1.59 0.00 0.00 0.00 175.10 173.57 3khr s LYS 56 N 2.87 1.34 0.14 2.72 -2.85 -1.26 -3.75 119.74 118.94 3khr s LYS 56 Ca 0.32 -1.56 -0.35 0.00 -1.00 0.00 0.00 55.97 53.38 3khr s LYS 56 Cb -0.14 0.33 -0.16 0.00 -2.06 0.00 0.00 37.83 35.80 3khr s LYS 56 CO 0.11 -0.48 1.26 0.00 0.10 0.00 0.00 175.35 176.34 3khr n ALA 57 N -0.33 -0.73 0.00 0.59 0.00 -1.26 -3.01 120.51 115.76 3khr n ALA 57 Ca 0.01 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3khr n ALA 57 Cb 0.65 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3khr n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khr n GLY 58 N 2.29 3.36 3.79 0.00 0.00 0.17 -4.95 105.19 109.84 3khr n GLY 58 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3khr n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3khr s ILE 59 N -2.49 3.54 0.38 -0.61 -4.36 -1.17 -4.62 121.20 111.88 3khr s ILE 59 Ca 0.00 0.80 -0.28 0.00 -0.26 0.00 0.00 60.65 60.92 3khr s ILE 59 Cb 0.00 -3.30 -0.10 0.00 1.25 0.00 0.00 42.46 40.30 3khr s ILE 59 CO 0.00 -0.36 1.44 -2.84 0.24 0.00 0.00 174.94 173.41 3khr s PRO 60 N -3.80 4.07 0.16 0.37 0.02 -1.26 -0.98 135.00 133.58 3khr s PRO 60 Ca 0.67 2.46 -0.17 0.00 0.02 0.00 0.00 61.00 63.98 3khr s PRO 60 Cb -0.19 -2.92 0.07 0.00 0.02 0.00 0.00 34.50 31.49 3khr s PRO 60 CO 0.34 -0.52 1.70 0.82 -0.33 0.00 0.00 177.00 179.01 3khr h ILE 61 N 2.84 0.74 -0.80 2.83 2.04 -1.52 -1.38 117.51 122.25 3khr h ILE 61 Ca -0.50 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.48 3khr h ILE 61 Cb 1.24 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 3khr h ILE 61 CO 0.64 0.02 0.53 0.58 0.00 0.00 0.00 178.15 179.91 3khr h VAL 62 N 0.09 0.79 -0.10 1.67 2.07 -1.83 -1.30 116.25 117.65 3khr h VAL 62 Ca 0.17 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 3khr h VAL 62 Cb 0.24 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3khr h VAL 62 CO -0.29 0.09 -0.44 -0.08 0.02 0.00 0.00 177.57 176.87 3khr h GLU 63 N 0.47 0.48 -0.84 1.57 4.22 -1.66 -3.02 114.58 115.80 3khr h GLU 63 Ca 0.40 -0.38 0.11 0.00 0.08 0.00 0.00 59.36 59.57 3khr h GLU 63 Cb 0.86 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.12 3khr h GLU 63 CO -0.14 1.01 0.54 0.00 -2.18 0.00 0.00 179.01 178.24 3khr h ALA 64 N 0.47 1.75 0.00 2.92 0.00 -0.37 -1.14 119.26 122.90 3khr h ALA 64 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3khr h ALA 64 Cb 1.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3khr h ALA 64 CO 0.09 0.07 -0.06 0.87 0.00 0.00 0.00 179.25 180.22 3khr h LYS 65 N 0.76 0.00 0.03 0.00 1.57 -1.23 0.28 116.57 117.98 3khr h LYS 65 Ca 0.39 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.95 3khr h LYS 65 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3khr h LYS 65 CO -0.16 0.06 -0.97 0.87 -0.57 0.00 0.00 179.45 178.68 3khr h LYS 66 N 0.00 0.25 0.00 3.15 1.57 -1.08 -2.53 116.57 117.92 3khr h LYS 66 Ca -0.00 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 3khr h LYS 66 Cb 0.63 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 3khr h LYS 66 CO 0.01 1.04 -1.51 0.44 -0.57 0.00 0.00 179.45 178.86 3khr n ILE 67 N -3.63 0.70 -3.12 1.86 -5.35 -1.08 -4.70 119.36 104.04 3khr n ILE 67 Ca -0.05 -0.61 -0.21 0.00 -0.27 0.00 0.00 62.75 61.61 3khr n ILE 67 Cb 0.86 -0.38 -0.05 0.00 -1.74 0.00 0.00 39.64 38.33 3khr n ILE 67 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3khr n LEU 68 N -2.64 -0.27 0.24 7.28 0.00 0.96 -4.96 117.00 117.61 3khr n LEU 68 Ca -0.07 -4.49 0.08 0.00 0.00 0.00 0.00 56.01 51.52 3khr n LEU 68 Cb 0.70 0.68 0.59 0.00 0.00 0.00 0.00 43.42 45.39 3khr n LEU 68 CO 0.43 2.08 0.94 1.55 0.00 0.00 0.00 177.39 182.39 3khr h PRO 69 N 3.92 0.00 0.00 1.96 0.13 -1.64 -3.32 132.00 133.05 3khr h PRO 69 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3khr h PRO 69 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3khr h PRO 69 CO 0.44 0.15 0.00 -0.97 -0.23 0.00 0.00 178.00 177.38 3khr h ASN 70 N 0.00 0.00 -4.06 1.44 -1.24 -1.93 -3.46 115.58 106.33 3khr h ASN 70 Ca -0.00 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.52 3khr h ASN 70 Cb 0.28 0.00 0.16 0.00 0.73 0.00 0.00 38.32 39.49 3khr h ASN 70 CO 0.02 0.00 0.24 0.00 -1.29 0.00 0.00 177.43 176.40 3khr s ALA 71 N -3.51 1.47 -0.33 1.57 0.00 -1.25 -4.99 121.76 114.72 3khr s ALA 71 Ca 0.03 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 3khr s ALA 71 Cb 0.09 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.98 3khr s ALA 71 CO 0.51 -2.44 0.83 0.08 0.00 0.00 0.00 175.76 174.74 3khr s VAL 72 N -2.86 4.73 -0.31 0.00 1.01 -0.68 -4.96 120.40 117.33 3khr s VAL 72 Ca 0.64 1.18 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 3khr s VAL 72 Cb -0.19 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 3khr s VAL 72 CO 0.58 -0.34 0.18 -0.31 0.00 0.00 0.00 175.10 175.20 3khr s TYR 73 N 3.11 3.19 0.02 5.22 2.02 -1.26 -0.60 117.35 129.06 3khr s TYR 73 Ca 0.34 -0.30 0.08 0.00 -0.37 0.00 0.00 57.07 56.82 3khr s TYR 73 Cb -0.13 -2.39 -0.03 0.00 -0.40 0.00 0.00 41.96 39.01 3khr s TYR 73 CO 0.14 -0.36 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.03 3khr s LEU 74 N 1.68 2.30 0.32 -1.29 1.43 0.12 -4.99 118.68 118.25 3khr s LEU 74 Ca 0.06 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 52.38 3khr s LEU 74 Cb -0.17 -1.38 -0.10 0.00 0.03 0.00 0.00 46.19 44.58 3khr s LEU 74 CO 0.08 0.28 1.16 -2.16 0.23 0.00 0.00 176.35 175.94 3khr s PRO 75 N -1.13 4.43 -0.03 1.29 0.04 -1.26 0.15 135.00 138.50 3khr s PRO 75 Ca 0.12 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 3khr s PRO 75 Cb -0.10 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 3khr s PRO 75 CO 0.02 -0.01 1.55 1.41 0.04 0.00 0.00 177.00 180.02 3khr s MET 76 N -1.75 4.21 -0.94 4.56 1.75 0.46 -4.72 119.30 122.88 3khr s MET 76 Ca 0.49 2.11 -0.02 0.00 -1.25 0.00 0.00 55.69 57.02 3khr s MET 76 Cb -0.33 -3.79 0.27 0.00 2.84 0.00 0.00 34.83 33.82 3khr s MET 76 CO 0.43 -0.74 1.11 0.54 -0.65 0.00 0.00 175.02 175.70 3khr n ARG 77 N 6.35 3.48 -0.17 4.11 1.74 -1.26 -4.96 116.66 125.96 3khr n ARG 77 Ca 0.16 -4.56 -0.02 0.00 -0.77 0.00 0.00 57.85 52.65 3khr n ARG 77 Cb 0.43 -2.43 0.04 0.00 -1.02 0.00 0.00 32.46 29.48 3khr n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3khr h LYS 78 N 5.38 0.02 -0.93 5.56 1.63 -2.00 -1.47 116.57 124.76 3khr h LYS 78 Ca 0.19 -0.00 0.17 0.00 -0.85 0.00 0.00 60.65 60.15 3khr h LYS 78 Cb 0.70 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.22 3khr h LYS 78 CO 1.07 0.02 0.52 0.93 -3.45 0.00 0.00 179.45 178.54 3khr h GLU 79 N 0.02 0.68 -0.12 1.90 3.07 -1.99 -0.32 114.58 117.82 3khr h GLU 79 Ca 0.25 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 3khr h GLU 79 Cb 0.39 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 3khr h GLU 79 CO -0.51 0.45 0.04 0.28 -1.40 0.00 0.00 179.01 177.87 3khr h VAL 80 N 0.70 1.17 -0.52 3.13 2.07 -1.70 -2.19 116.25 118.91 3khr h VAL 80 Ca 0.52 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3khr h VAL 80 Cb 0.76 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3khr h VAL 80 CO -0.37 0.16 0.11 1.88 0.02 0.00 0.00 177.57 179.36 3khr h TYR 81 N 0.02 0.82 -0.40 1.57 0.05 -1.30 -2.60 116.97 115.13 3khr h TYR 81 Ca 0.04 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 3khr h TYR 81 Cb 0.21 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 3khr h TYR 81 CO -0.00 0.70 0.01 0.37 -1.05 0.00 0.00 178.16 178.19 3khr h GLN 82 N 0.76 0.63 -0.42 4.88 5.75 -0.94 -0.59 115.11 125.19 3khr h GLN 82 Ca 0.17 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3khr h GLN 82 Cb 0.31 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 3khr h GLN 82 CO 0.00 0.65 0.22 1.96 -2.65 0.00 0.00 178.83 179.01 3khr h GLN 83 N 0.60 0.60 -0.28 1.69 4.20 -1.02 0.23 115.11 121.13 3khr h GLN 83 Ca 0.13 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3khr h GLN 83 Cb 0.37 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3khr h GLN 83 CO 0.01 0.50 0.11 0.28 -0.67 0.00 0.00 178.83 179.06 3khr h VAL 84 N 0.55 1.18 -0.13 -0.54 2.07 -1.24 -2.65 116.25 115.49 3khr h VAL 84 Ca 0.15 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3khr h VAL 84 Cb 0.09 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3khr h VAL 84 CO -0.02 0.19 0.04 -1.28 0.02 0.00 0.00 177.57 176.52 3khr h SER 85 N 0.31 0.04 -0.60 0.57 0.87 -0.88 -0.67 113.55 113.19 3khr h SER 85 Ca 0.09 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.76 3khr h SER 85 Cb 0.20 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.10 3khr h SER 85 CO -0.01 0.05 0.20 0.28 -0.53 0.00 0.00 176.83 176.82 3khr h SER 86 N 0.10 0.18 -0.66 6.23 0.02 -0.94 0.17 113.55 118.65 3khr h SER 86 Ca 0.06 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3khr h SER 86 Cb 0.03 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3khr h SER 86 CO -0.06 0.11 0.34 0.03 -1.14 0.00 0.00 176.83 176.11 3khr h ARG 87 N 0.37 0.93 -0.44 3.45 3.08 -1.09 -2.50 114.38 118.19 3khr h ARG 87 Ca 0.30 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 3khr h ARG 87 Cb 0.39 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3khr h ARG 87 CO -0.32 0.72 -0.00 0.82 -1.07 0.00 0.00 179.97 180.11 3khr h ILE 88 N 0.90 1.26 0.00 2.04 2.04 -0.07 -2.68 117.51 121.01 3khr h ILE 88 Ca 0.23 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 3khr h ILE 88 Cb 0.07 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3khr h ILE 88 CO -0.03 0.36 -0.10 0.24 0.00 0.00 0.00 178.15 178.62 3khr h MET 89 N 0.62 0.00 -0.00 2.37 2.86 -0.57 -0.63 114.93 119.58 3khr h MET 89 Ca 0.12 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.60 3khr h MET 89 Cb 0.50 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3khr h MET 89 CO 0.02 0.10 -0.76 -0.91 1.06 0.00 0.00 176.91 176.42 3khr h ASN 90 N 0.00 0.03 -0.39 1.22 2.35 -1.23 -2.61 115.58 114.96 3khr h ASN 90 Ca -0.00 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 3khr h ASN 90 Cb 0.19 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3khr h ASN 90 CO 0.01 0.78 0.01 -0.07 -1.65 0.00 0.00 177.43 176.51 3khr h LEU 91 N 0.02 0.67 -1.08 1.61 3.38 -0.81 -3.19 115.31 115.90 3khr h LEU 91 Ca -0.01 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 3khr h LEU 91 Cb 1.34 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3khr h LEU 91 CO 0.10 0.80 -0.16 -0.07 0.09 0.00 0.00 178.44 179.21 3khr h LEU 92 N 0.51 0.45 -1.99 1.67 3.38 -1.29 -2.11 115.31 115.94 3khr h LEU 92 Ca 0.11 -0.12 0.20 0.00 0.09 0.00 0.00 57.88 58.16 3khr h LEU 92 Cb 0.45 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3khr h LEU 92 CO 0.02 0.64 0.53 0.03 0.09 0.00 0.00 178.44 179.74 3khr h ARG 93 N 0.43 0.00 0.00 1.13 3.08 -1.45 0.30 114.38 117.87 3khr h ARG 93 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3khr h ARG 93 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3khr h ARG 93 CO 0.03 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.32 3khr n GLU 94 N -4.20 0.12 -0.01 0.04 1.02 -0.79 -3.22 120.64 113.60 3khr n GLU 94 Ca 0.14 0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.54 3khr n GLU 94 Cb 0.79 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.60 3khr n GLU 94 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3khr n TYR 95 N -1.38 0.00 -3.64 -0.32 4.01 0.09 -5.01 117.16 110.92 3khr n TYR 95 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 3khr n TYR 95 Cb 0.14 -0.29 -0.07 0.00 -0.31 0.00 0.00 39.34 38.81 3khr n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3khr s SER 96 N -3.54 -0.51 0.36 7.72 0.15 -1.20 -4.99 113.70 111.69 3khr s SER 96 Ca -0.04 0.95 0.13 0.00 0.70 0.00 0.00 55.95 57.69 3khr s SER 96 Cb 0.10 1.01 0.67 0.00 -1.71 0.00 0.00 66.02 66.10 3khr s SER 96 CO 0.64 -0.16 1.79 -0.33 1.20 0.00 0.00 173.24 176.38 3khr h GLU 97 N 4.67 0.00 -4.96 5.44 3.07 -1.89 -3.39 114.58 117.53 3khr h GLU 97 Ca -0.28 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 57.88 3khr h GLU 97 Cb 1.18 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.91 3khr h GLU 97 CO 0.12 0.41 0.86 0.15 -1.40 0.00 0.00 179.01 179.15 3khr s LYS 98 N -4.06 3.65 -0.01 2.33 1.02 -1.26 -4.98 119.74 116.43 3khr s LYS 98 Ca -0.02 -1.87 0.03 0.00 0.02 0.00 0.00 55.97 54.13 3khr s LYS 98 Cb 0.14 -4.92 -0.01 0.00 -0.52 0.00 0.00 37.83 32.52 3khr s LYS 98 CO 0.73 -1.75 -0.11 -1.50 -0.92 0.00 0.00 175.35 171.79 3khr s ILE 99 N 2.48 0.89 -0.25 2.17 2.07 -1.26 -0.91 121.20 126.39 3khr s ILE 99 Ca 0.33 -0.49 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 3khr s ILE 99 Cb -0.05 -0.75 0.07 0.00 0.13 0.00 0.00 42.46 41.86 3khr s ILE 99 CO -0.09 0.24 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.45 3khr s GLU 100 N -0.29 1.54 -0.41 3.50 2.12 0.38 -4.16 118.70 121.38 3khr s GLU 100 Ca 0.04 -1.09 -0.29 0.00 0.36 0.00 0.00 54.97 54.00 3khr s GLU 100 Cb -0.04 -2.60 0.01 0.00 0.26 0.00 0.00 34.13 31.76 3khr s GLU 100 CO -0.00 -0.66 1.35 0.42 -0.54 0.00 0.00 175.26 175.83 3khr s ILE 101 N 1.36 3.98 -0.07 -3.70 -1.09 -1.26 -0.89 121.20 119.53 3khr s ILE 101 Ca -0.03 1.02 0.14 0.00 -2.23 0.00 0.00 60.65 59.55 3khr s ILE 101 Cb -0.19 -4.26 -0.16 0.00 -1.58 0.00 0.00 42.46 36.27 3khr s ILE 101 CO -0.08 -0.76 0.87 0.00 -1.23 0.00 0.00 174.94 173.74 3khr h ALA 102 N 10.28 0.67 -1.90 9.38 0.00 -1.43 -3.43 119.26 132.83 3khr h ALA 102 Ca -0.27 -1.04 0.04 0.00 0.00 0.00 0.00 54.91 53.64 3khr h ALA 102 Cb 1.10 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3khr h ALA 102 CO 1.09 1.16 0.16 -1.13 0.00 0.00 0.00 179.25 180.53 3khr n SER 103 N -3.02 -0.52 0.23 0.00 3.41 -1.18 -4.96 113.62 107.58 3khr n SER 103 Ca -0.10 -1.29 0.18 0.00 -0.26 0.00 0.00 58.87 57.40 3khr n SER 103 Cb 0.92 0.85 0.87 0.00 -0.26 0.00 0.00 64.21 66.59 3khr n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3khr h ILE 104 N 1.29 0.34 0.00 -1.33 2.10 -2.01 -3.22 117.51 114.67 3khr h ILE 104 Ca -0.08 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.83 3khr h ILE 104 Cb 0.35 0.82 -0.07 0.00 -1.09 0.00 0.00 36.82 36.84 3khr h ILE 104 CO 0.11 0.00 -0.53 -0.90 -1.08 0.00 0.00 178.15 175.74 3khr n ASP 105 N -3.57 0.50 -3.93 2.19 5.75 -1.26 -4.76 116.55 111.47 3khr n ASP 105 Ca 0.01 -2.19 -0.18 0.00 -0.01 0.00 0.00 54.79 52.43 3khr n ASP 105 Cb 0.32 -0.25 -0.15 0.00 -1.03 0.00 0.00 41.12 40.00 3khr n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3khr s GLU 106 N -0.44 0.60 -0.02 0.11 2.02 -1.22 -1.35 118.70 118.40 3khr s GLU 106 Ca 0.11 -0.16 -0.04 0.00 0.02 0.00 0.00 54.97 54.90 3khr s GLU 106 Cb 0.11 -0.61 0.00 0.00 0.10 0.00 0.00 34.13 33.74 3khr s GLU 106 CO -0.03 0.04 0.09 0.00 0.02 0.00 0.00 175.26 175.38 3khr s ALA 107 N 0.31 -0.22 -0.15 5.21 0.00 -0.77 -0.98 121.76 125.15 3khr s ALA 107 Ca -0.04 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 3khr s ALA 107 Cb -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3khr s ALA 107 CO -0.00 -0.09 0.03 0.71 0.00 0.00 0.00 175.76 176.41 3khr s TYR 108 N -0.40 3.20 -0.15 0.00 2.02 -0.07 -0.87 117.35 121.08 3khr s TYR 108 Ca -0.05 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 3khr s TYR 108 Cb -0.03 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 3khr s TYR 108 CO 0.00 0.20 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.50 3khr s LEU 109 N 0.05 2.34 -0.48 -1.29 1.02 0.32 -0.47 118.68 120.18 3khr s LEU 109 Ca 0.04 -0.51 -0.23 0.00 0.02 0.00 0.00 54.13 53.45 3khr s LEU 109 Cb -0.13 -1.52 0.03 0.00 0.02 0.00 0.00 46.19 44.60 3khr s LEU 109 CO 0.01 0.09 0.79 -0.62 0.02 0.00 0.00 176.35 176.65 3khr s ASP 110 N 0.77 6.36 -0.18 2.29 -1.08 -0.08 -0.36 116.67 124.38 3khr s ASP 110 Ca -0.07 -0.29 0.16 0.00 -0.52 0.00 0.00 52.55 51.83 3khr s ASP 110 Cb -0.16 -2.38 0.56 0.00 -1.46 0.00 0.00 42.92 39.49 3khr s ASP 110 CO 0.00 -0.98 1.46 2.30 0.52 0.00 0.00 175.17 178.47 3khr n ILE 111 N 6.07 2.33 -0.25 4.11 -5.35 -0.76 -4.62 119.36 120.89 3khr n ILE 111 Ca 0.01 -1.82 0.21 0.00 -0.27 0.00 0.00 62.75 60.88 3khr n ILE 111 Cb 0.48 -0.25 0.53 0.00 -1.74 0.00 0.00 39.64 38.66 3khr n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3khr h SER 112 N 2.07 0.37 0.09 7.28 0.02 -1.84 -0.28 113.55 121.26 3khr h SER 112 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3khr h SER 112 Cb 1.50 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.02 3khr h SER 112 CO 0.25 0.14 -0.46 0.47 -1.14 0.00 0.00 176.83 176.09 3khr n ASP 113 N -4.50 1.56 -0.01 3.07 8.00 -1.26 -4.33 116.55 119.08 3khr n ASP 113 Ca 0.20 -1.22 0.04 0.00 0.71 0.00 0.00 54.79 54.52 3khr n ASP 113 Cb 0.75 0.41 -0.13 0.00 -0.02 0.00 0.00 41.12 42.13 3khr n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3khr n LYS 114 N -0.42 0.65 -4.09 -1.24 4.76 -0.16 -4.98 118.16 112.69 3khr n LYS 114 Ca 0.09 -0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.37 3khr n LYS 114 Cb 0.41 -1.61 -0.11 0.00 -1.84 0.00 0.00 35.03 31.88 3khr n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3khr s VAL 115 N -3.14 0.60 -0.02 -0.18 -7.23 -0.96 -5.07 120.40 104.41 3khr s VAL 115 Ca -0.07 -1.23 0.12 0.00 -1.81 0.00 0.00 61.98 58.99 3khr s VAL 115 Cb 0.11 -0.81 -0.13 0.00 0.56 0.00 0.00 36.38 36.11 3khr s VAL 115 CO 0.86 -0.45 1.14 0.03 -0.31 0.00 0.00 175.10 176.36 3khr h ARG 116 N 4.24 0.00 0.00 4.82 3.08 -1.89 -3.44 114.38 121.18 3khr h ARG 116 Ca -0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3khr h ARG 116 Cb 1.20 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.25 3khr h ARG 116 CO 0.44 0.66 0.18 -0.40 -1.07 0.00 0.00 179.97 179.79 3khr n ASP 117 N -3.19 -1.44 0.15 7.04 3.85 -1.26 -5.06 116.55 116.65 3khr n ASP 117 Ca -0.04 -1.99 0.01 0.00 -0.71 0.00 0.00 54.79 52.06 3khr n ASP 117 Cb 0.89 2.40 0.23 0.00 -1.35 0.00 0.00 41.12 43.29 3khr n ASP 117 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 3khr h TYR 118 N 1.62 0.00 -0.10 2.11 0.05 -1.98 -0.68 116.97 118.00 3khr h TYR 118 Ca -0.21 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.57 3khr h TYR 118 Cb 0.78 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.51 3khr h TYR 118 CO 0.00 0.53 0.05 -0.09 -1.05 0.00 0.00 178.16 177.61 3khr h ARG 119 N 0.00 0.13 -0.54 4.88 2.43 -1.99 0.25 114.38 119.54 3khr h ARG 119 Ca -0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3khr h ARG 119 Cb 1.00 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3khr h ARG 119 CO 0.07 0.16 -0.04 0.93 -1.51 0.00 0.00 179.97 179.58 3khr h GLU 120 N 0.07 0.97 -0.55 0.20 5.08 -1.93 -2.67 114.58 115.74 3khr h GLU 120 Ca 0.03 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 3khr h GLU 120 Cb 0.06 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3khr h GLU 120 CO -0.01 0.98 0.33 0.00 -1.00 0.00 0.00 179.01 179.31 3khr h ALA 121 N 1.07 0.71 -0.30 3.43 0.00 -0.77 -1.26 119.26 122.14 3khr h ALA 121 Ca 0.15 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3khr h ALA 121 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3khr h ALA 121 CO 0.03 0.04 0.09 -0.92 0.00 0.00 0.00 179.25 178.49 3khr h TYR 122 N 0.64 0.17 -0.82 0.00 3.20 -0.35 -0.37 116.97 119.44 3khr h TYR 122 Ca 0.23 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.17 3khr h TYR 122 Cb 0.04 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 3khr h TYR 122 CO -0.07 0.07 0.50 -0.91 -1.64 0.00 0.00 178.16 176.12 3khr h ASN 123 N 0.22 0.80 -0.74 -2.11 2.35 -1.18 -1.43 115.58 113.49 3khr h ASN 123 Ca 0.13 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3khr h ASN 123 Cb 0.11 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3khr h ASN 123 CO -0.14 0.52 0.35 0.25 -1.65 0.00 0.00 177.43 176.75 3khr h LEU 124 N 0.93 0.97 -1.00 1.61 5.85 -0.65 -1.59 115.31 121.42 3khr h LEU 124 Ca 0.35 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3khr h LEU 124 Cb 0.14 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3khr h LEU 124 CO -0.16 0.84 0.53 1.23 -0.34 0.00 0.00 178.44 180.54 3khr h GLY 125 N 1.04 1.31 0.96 3.75 0.00 -0.42 0.38 103.07 110.08 3khr h GLY 125 Ca 0.25 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 3khr h GLY 125 CO -0.03 0.53 -0.05 1.41 0.00 0.00 0.00 176.54 178.41 3khr h LEU 126 N 1.24 0.73 -0.14 3.11 3.38 -1.01 -0.60 115.31 122.02 3khr h LEU 126 Ca 0.32 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3khr h LEU 126 Cb -0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3khr h LEU 126 CO -0.06 0.89 -0.11 -0.33 0.09 0.00 0.00 178.44 178.92 3khr h GLU 127 N 0.55 -0.12 -0.14 1.13 5.08 -0.87 0.37 114.58 120.58 3khr h GLU 127 Ca 0.11 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3khr h GLU 127 Cb 0.55 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 3khr h GLU 127 CO 0.03 -0.08 -0.22 0.82 -1.00 0.00 0.00 179.01 178.57 3khr h ILE 128 N -0.12 0.46 -0.40 3.13 2.04 -0.79 -0.32 117.51 121.51 3khr h ILE 128 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.01 3khr h ILE 128 Cb 0.25 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 3khr h ILE 128 CO -0.21 0.00 0.10 0.11 0.00 0.00 0.00 178.15 178.15 3khr h LYS 129 N -0.27 0.23 -0.49 2.37 1.57 -0.83 -1.77 116.57 117.38 3khr h LYS 129 Ca 0.10 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3khr h LYS 129 Cb 0.42 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3khr h LYS 129 CO -0.29 0.15 0.13 -0.91 -0.57 0.00 0.00 179.45 177.96 3khr h ASN 130 N 0.24 0.73 -0.52 0.86 2.35 -0.56 -1.56 115.58 117.12 3khr h ASN 130 Ca 0.19 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3khr h ASN 130 Cb 0.22 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3khr h ASN 130 CO -0.24 0.76 0.21 0.50 -1.65 0.00 0.00 177.43 177.02 3khr h LYS 131 N 0.67 0.78 -0.56 0.81 1.63 -0.80 -0.29 116.57 118.80 3khr h LYS 131 Ca 0.16 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3khr h LYS 131 Cb 0.31 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 3khr h LYS 131 CO -0.00 0.69 0.25 0.82 -3.45 0.00 0.00 179.45 177.75 3khr h ILE 132 N 0.71 1.22 -0.68 2.00 2.04 -1.20 -0.73 117.51 120.86 3khr h ILE 132 Ca 0.18 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3khr h ILE 132 Cb 0.19 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3khr h ILE 132 CO -0.01 0.25 0.30 0.25 0.00 0.00 0.00 178.15 178.94 3khr h LEU 133 N 0.77 0.91 -0.21 1.44 5.85 -1.04 0.12 115.31 123.15 3khr h LEU 133 Ca 0.19 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3khr h LEU 133 Cb 0.16 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3khr h LEU 133 CO -0.02 0.81 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.55 3khr h GLU 134 N 0.95 0.37 0.04 1.25 5.08 -0.83 -0.43 114.58 121.01 3khr h GLU 134 Ca 0.23 -0.13 -0.24 0.00 -1.00 0.00 0.00 59.36 58.22 3khr h GLU 134 Cb 0.16 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3khr h GLU 134 CO -0.02 0.58 -1.17 0.87 -1.00 0.00 0.00 179.01 178.26 3khr h LYS 135 N 0.13 0.09 0.00 2.33 1.79 -1.08 -3.40 116.57 116.43 3khr h LYS 135 Ca 0.06 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3khr h LYS 135 Cb 0.42 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3khr h LYS 135 CO 0.01 1.02 0.00 0.39 -1.08 0.00 0.00 179.45 179.80 3khr n GLU 136 N -3.38 1.35 -2.35 3.15 -0.58 0.42 -5.01 120.64 114.24 3khr n GLU 136 Ca -0.05 -0.25 -0.18 0.00 -0.42 0.00 0.00 57.16 56.25 3khr n GLU 136 Cb 0.98 -0.72 -0.01 0.00 -0.57 0.00 0.00 31.44 31.12 3khr n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3khr n LYS 137 N -0.27 -1.84 -4.53 3.49 4.76 -0.17 -4.98 118.16 114.62 3khr n LYS 137 Ca 0.00 0.88 -0.33 0.00 -2.87 0.00 0.00 58.31 55.99 3khr n LYS 137 Cb 0.04 -5.50 -0.14 0.00 -1.84 0.00 0.00 35.03 27.58 3khr n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3khr s ILE 138 N -2.87 3.15 0.15 -0.18 -1.09 -1.25 -4.92 121.20 114.20 3khr s ILE 138 Ca 0.00 -0.61 -0.19 0.00 -2.23 0.00 0.00 60.65 57.62 3khr s ILE 138 Cb 0.00 -2.35 -0.07 0.00 -1.58 0.00 0.00 42.46 38.45 3khr s ILE 138 CO 0.00 0.50 0.64 0.42 -1.23 0.00 0.00 174.94 175.27 3khr s THR 139 N 0.63 4.67 0.17 2.92 -4.23 -1.26 -3.44 115.64 115.10 3khr s THR 139 Ca -0.06 1.19 0.03 0.00 -1.18 0.00 0.00 61.69 61.67 3khr s THR 139 Cb -0.15 -3.87 -0.05 0.00 1.34 0.00 0.00 72.50 69.77 3khr s THR 139 CO 0.03 0.36 -0.04 0.68 -0.54 0.00 0.00 174.62 175.11 3khr s VAL 140 N -1.34 0.88 -0.09 2.29 -7.23 -1.26 -1.86 120.40 111.79 3khr s VAL 140 Ca 0.36 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 3khr s VAL 140 Cb -0.18 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 3khr s VAL 140 CO 0.20 -0.57 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.40 3khr s THR 141 N -3.52 3.11 -0.14 5.32 2.01 -0.03 -3.82 115.64 118.57 3khr s THR 141 Ca 0.21 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 3khr s THR 141 Cb 0.05 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 3khr s THR 141 CO 0.03 0.56 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 3khr s VAL 142 N -0.21 3.77 -0.06 3.82 1.01 -0.72 -1.54 120.40 126.47 3khr s VAL 142 Ca 0.01 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3khr s VAL 142 Cb -0.13 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3khr s VAL 142 CO 0.03 0.51 -0.20 -0.83 0.00 0.00 0.00 175.10 174.61 3khr s GLY 143 N 0.18 1.40 -0.07 4.51 0.00 -0.37 -1.72 107.32 111.25 3khr s GLY 143 Ca -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3khr s GLY 143 CO 0.03 -0.66 -0.06 -0.42 0.00 0.00 0.00 173.10 171.99 3khr s ILE 144 N -0.33 0.72 0.00 0.90 1.01 -0.09 -0.69 121.20 122.72 3khr s ILE 144 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3khr s ILE 144 Cb -0.13 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.59 3khr s ILE 144 CO 0.02 0.29 0.00 -0.24 0.00 0.00 0.00 174.94 175.01 3khr n SER 145 N 4.43 0.00 0.13 3.58 2.88 -0.85 -0.11 113.62 123.68 3khr n SER 145 Ca -0.18 -0.38 0.12 0.00 -1.33 0.00 0.00 58.87 57.10 3khr n SER 145 Cb 0.51 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.12 3khr n SER 145 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3khr h LYS 146 N 0.00 0.00 -4.08 -1.46 2.10 -1.77 0.14 116.57 111.49 3khr h LYS 146 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.43 3khr h LYS 146 Cb 0.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 3khr h LYS 146 CO 0.00 0.00 -0.23 0.54 -2.00 0.00 0.00 179.45 177.76 3khr s ASN 147 N -5.19 0.60 0.22 7.07 2.20 -1.26 -4.35 114.94 114.22 3khr s ASN 147 Ca 0.05 -1.35 -0.08 0.00 -0.94 0.00 0.00 52.86 50.54 3khr s ASN 147 Cb 0.10 0.61 0.17 0.00 -2.00 0.00 0.00 41.25 40.12 3khr s ASN 147 CO 0.71 -1.20 1.81 0.11 -2.94 0.00 0.00 177.10 175.58 3khr h LYS 148 N 2.21 1.18 0.14 3.55 1.57 -1.91 -2.26 116.57 121.04 3khr h LYS 148 Ca -0.29 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 3khr h LYS 148 Cb 1.24 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3khr h LYS 148 CO 0.40 0.91 -0.07 0.28 -0.57 0.00 0.00 179.45 180.40 3khr h VAL 149 N 1.16 0.99 0.00 0.50 2.07 -1.97 -1.29 116.25 117.71 3khr h VAL 149 Ca 0.28 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 3khr h VAL 149 Cb 0.12 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3khr h VAL 149 CO -0.03 0.14 -0.31 -0.26 0.02 0.00 0.00 177.57 177.12 3khr h PHE 150 N -0.48 0.00 -0.82 1.57 0.04 -1.98 -0.34 116.94 114.93 3khr h PHE 150 Ca -0.02 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 3khr h PHE 150 Cb 0.38 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 3khr h PHE 150 CO 0.02 0.31 0.36 0.00 -0.60 0.00 0.00 178.31 178.40 3khr h ALA 151 N 1.69 1.08 -0.17 2.45 0.00 -1.32 0.10 119.26 123.10 3khr h ALA 151 Ca -0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3khr h ALA 151 Cb 0.61 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3khr h ALA 151 CO 0.04 0.67 -0.27 -0.22 0.00 0.00 0.00 179.25 179.47 3khr h LYS 152 N 1.18 0.49 -0.81 0.00 3.64 -0.31 -2.50 116.57 118.27 3khr h LYS 152 Ca 0.28 -0.29 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3khr h LYS 152 Cb 0.17 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 3khr h LYS 152 CO -0.03 0.89 0.47 0.82 -2.27 0.00 0.00 179.45 179.33 3khr h ILE 153 N 0.13 0.96 -0.78 2.00 2.04 -1.00 -1.24 117.51 119.63 3khr h ILE 153 Ca 0.01 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.61 3khr h ILE 153 Cb 0.85 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3khr h ILE 153 CO 0.06 0.15 0.50 0.00 0.00 0.00 0.00 178.15 178.86 3khr h ALA 154 N 1.42 1.01 -0.60 1.87 0.00 -0.70 -1.34 119.26 120.92 3khr h ALA 154 Ca 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3khr h ALA 154 Cb 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3khr h ALA 154 CO -0.21 0.33 0.24 0.00 0.00 0.00 0.00 179.25 179.61 3khr h ALA 155 N 1.31 0.78 -0.99 0.00 0.00 -1.00 -2.43 119.26 116.93 3khr h ALA 155 Ca 0.30 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3khr h ALA 155 Cb -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 3khr h ALA 155 CO -0.10 0.40 0.64 -0.44 0.00 0.00 0.00 179.25 179.76 3khr h ASP 156 N 0.83 1.05 0.07 0.00 3.32 -0.72 -1.86 116.42 119.11 3khr h ASP 156 Ca 0.20 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 3khr h ASP 156 Cb 0.21 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3khr h ASP 156 CO -0.02 0.69 -0.28 0.24 -1.72 0.00 0.00 179.24 178.15 3khr h MET 157 N 1.20 0.34 -0.02 3.56 2.86 -0.99 -3.22 114.93 118.66 3khr h MET 157 Ca 0.41 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3khr h MET 157 Cb 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3khr h MET 157 CO -0.15 0.59 -0.22 0.00 1.06 0.00 0.00 176.91 178.19 3khr n ALA 158 N -2.48 2.99 -1.77 6.32 0.00 -0.89 -4.99 120.51 119.69 3khr n ALA 158 Ca -0.01 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.44 3khr n ALA 158 Cb 0.40 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3khr n ALA 158 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3khr s LYS 159 N -2.26 4.01 0.48 0.00 1.02 -0.75 -3.25 119.74 118.98 3khr s LYS 159 Ca 0.25 2.49 -0.00 0.00 0.02 0.00 0.00 55.97 58.73 3khr s LYS 159 Cb 0.19 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 3khr s LYS 159 CO 0.44 -0.58 0.72 -1.25 -0.92 0.00 0.00 175.35 173.76 3khr s PRO 160 N -2.17 2.97 -1.52 -1.68 0.04 -1.26 -4.93 135.00 126.44 3khr s PRO 160 Ca 0.55 -0.46 -0.10 0.00 0.04 0.00 0.00 61.00 61.03 3khr s PRO 160 Cb -0.45 -2.51 0.07 0.00 0.04 0.00 0.00 34.50 31.66 3khr s PRO 160 CO 0.60 -0.39 0.73 -1.71 0.04 0.00 0.00 177.00 176.27 3khr n ASN 161 N -2.18 -2.65 -3.99 6.66 5.15 -1.26 -4.96 115.26 112.03 3khr n ASN 161 Ca 0.03 -0.92 -0.23 0.00 -0.60 0.00 0.00 54.58 52.86 3khr n ASN 161 Cb 0.58 -3.33 -0.04 0.00 -0.53 0.00 0.00 39.78 36.46 3khr n ASN 161 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3khr n GLY 162 N -1.67 3.55 3.36 8.20 0.00 -1.20 -4.95 105.19 112.47 3khr n GLY 162 Ca -0.09 -2.32 -0.11 0.00 0.00 0.00 0.00 46.02 43.50 3khr n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3khr s ILE 163 N -2.27 -0.01 -0.12 -0.61 2.07 -1.26 -1.76 121.20 117.24 3khr s ILE 163 Ca 0.05 0.04 -0.07 0.00 -1.41 0.00 0.00 60.65 59.26 3khr s ILE 163 Cb -0.00 -0.68 0.05 0.00 0.13 0.00 0.00 42.46 41.95 3khr s ILE 163 CO 0.03 0.02 0.30 -0.75 -1.91 0.00 0.00 174.94 172.62 3khr s LYS 164 N 0.92 0.28 -0.18 3.50 2.47 -0.70 -4.97 119.74 121.06 3khr s LYS 164 Ca -0.05 0.58 -0.12 0.00 -1.56 0.00 0.00 55.97 54.81 3khr s LYS 164 Cb -0.06 -0.05 -0.05 0.00 -1.46 0.00 0.00 37.83 36.22 3khr s LYS 164 CO -0.08 -0.14 0.23 0.08 0.16 0.00 0.00 175.35 175.60 3khr s VAL 165 N 1.11 5.34 -0.45 4.02 1.01 -1.26 -0.91 120.40 129.27 3khr s VAL 165 Ca -0.08 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 3khr s VAL 165 Cb -0.08 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.83 3khr s VAL 165 CO -0.08 0.40 0.30 -0.63 0.00 0.00 0.00 175.10 175.09 3khr s ILE 166 N 0.51 4.15 0.95 2.22 1.01 0.84 -4.96 121.20 125.92 3khr s ILE 166 Ca 0.13 -1.65 -0.14 0.00 0.00 0.00 0.00 60.65 58.99 3khr s ILE 166 Cb -0.12 -3.66 0.21 0.00 0.01 0.00 0.00 42.46 38.90 3khr s ILE 166 CO 0.02 -0.66 1.29 1.51 0.00 0.00 0.00 174.94 177.10 3khr s ASP 167 N 2.39 3.07 0.18 3.58 1.47 -1.26 -4.43 116.67 121.67 3khr s ASP 167 Ca 0.05 0.01 -0.14 0.00 1.18 0.00 0.00 52.55 53.65 3khr s ASP 167 Cb -0.25 -0.01 0.10 0.00 -0.34 0.00 0.00 42.92 42.42 3khr s ASP 167 CO 0.00 -2.74 1.81 0.44 0.68 0.00 0.00 175.17 175.36 3khr h ASP 168 N -1.54 0.49 -0.83 2.11 3.32 -1.99 0.55 116.42 118.52 3khr h ASP 168 Ca -0.42 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 3khr h ASP 168 Cb 1.22 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 3khr h ASP 168 CO 0.32 0.34 0.41 -0.33 -1.72 0.00 0.00 179.24 178.27 3khr h GLU 169 N 0.60 1.19 0.00 3.56 4.39 -2.00 -2.62 114.58 119.70 3khr h GLU 169 Ca 0.21 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 3khr h GLU 169 Cb 0.02 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 3khr h GLU 169 CO -0.09 0.91 -0.66 1.49 -1.16 0.00 0.00 179.01 179.49 3khr h GLU 170 N 1.18 0.00 -0.63 2.33 4.81 -1.68 -2.26 114.58 118.34 3khr h GLU 170 Ca 0.29 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.59 3khr h GLU 170 Cb 0.10 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 3khr h GLU 170 CO -0.04 0.66 0.31 0.28 -0.73 0.00 0.00 179.01 179.49 3khr h VAL 171 N 0.00 0.88 -0.44 0.32 2.07 -0.67 -0.19 116.25 118.22 3khr h VAL 171 Ca -0.01 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3khr h VAL 171 Cb 1.23 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3khr h VAL 171 CO 0.09 0.10 0.19 0.11 0.02 0.00 0.00 177.57 178.08 3khr h LYS 172 N 0.56 0.65 -0.64 1.57 1.57 -1.23 -1.42 116.57 117.63 3khr h LYS 172 Ca 0.30 -0.11 0.07 0.00 -1.87 0.00 0.00 60.65 59.04 3khr h LYS 172 Cb 0.27 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 3khr h LYS 172 CO -0.23 0.58 0.33 -0.09 -0.57 0.00 0.00 179.45 179.46 3khr h ARG 173 N 0.57 0.58 -0.38 3.15 2.43 -1.14 -2.68 114.38 116.91 3khr h ARG 173 Ca 0.15 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3khr h ARG 173 Cb 0.16 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3khr h ARG 173 CO -0.01 0.38 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.63 3khr h LEU 174 N 0.60 0.76 -0.96 3.80 3.38 -0.58 0.32 115.31 122.63 3khr h LEU 174 Ca 0.29 -0.38 0.20 0.00 0.09 0.00 0.00 57.88 58.08 3khr h LEU 174 Cb 0.23 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.66 3khr h LEU 174 CO -0.21 0.97 0.54 0.40 0.09 0.00 0.00 178.44 180.23 3khr h ILE 175 N 0.55 0.63 0.02 1.22 2.04 -1.25 0.23 117.51 120.95 3khr h ILE 175 Ca 0.09 -0.22 -0.26 0.00 1.00 0.00 0.00 64.86 65.47 3khr h ILE 175 Cb 0.65 -0.06 0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3khr h ILE 175 CO 0.04 0.12 -1.06 0.03 0.00 0.00 0.00 178.15 177.28 3khr h ARG 176 N 0.64 0.62 0.00 2.37 3.08 -0.96 -1.79 114.38 118.34 3khr h ARG 176 Ca 0.57 -0.69 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3khr h ARG 176 Cb 0.95 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3khr h ARG 176 CO -0.42 1.29 -0.76 0.39 -1.07 0.00 0.00 179.97 179.39 3khr n GLU 177 N -3.81 2.27 -2.50 0.04 1.02 0.10 -4.84 120.64 112.91 3khr n GLU 177 Ca -0.10 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.60 3khr n GLU 177 Cb 0.89 -0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 31.38 3khr n GLU 177 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3khr s LEU 178 N -2.81 4.30 0.04 -4.62 2.96 0.76 -4.97 118.68 114.35 3khr s LEU 178 Ca -0.00 1.81 -0.35 0.00 -0.22 0.00 0.00 54.13 55.37 3khr s LEU 178 Cb 0.02 -3.56 -0.14 0.00 0.50 0.00 0.00 46.19 43.00 3khr s LEU 178 CO 0.11 -0.51 1.59 -0.67 -1.32 0.00 0.00 176.35 175.55 3khr n ASP 179 N 4.76 2.68 0.26 3.68 -0.08 -1.26 -4.28 116.55 122.32 3khr n ASP 179 Ca 0.10 1.07 0.11 0.00 -1.51 0.00 0.00 54.79 54.55 3khr n ASP 179 Cb 0.47 -1.32 0.70 0.00 2.34 0.00 0.00 41.12 43.31 3khr n ASP 179 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3khr h ILE 180 N 4.09 0.77 -0.09 5.18 2.10 -1.54 0.17 117.51 128.20 3khr h ILE 180 Ca -0.47 -0.39 0.02 0.00 1.08 0.00 0.00 64.86 65.11 3khr h ILE 180 Cb 1.29 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 38.24 3khr h ILE 180 CO 0.88 0.10 0.15 0.00 -1.08 0.00 0.00 178.15 178.19 3khr h ALA 181 N 1.90 1.50 -0.09 0.18 0.00 -1.88 -2.07 119.26 118.81 3khr h ALA 181 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3khr h ALA 181 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3khr h ALA 181 CO 0.01 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 178.82 3khr n ASP 182 N -3.49 1.46 -4.70 0.00 8.00 0.61 -4.76 116.55 113.66 3khr n ASP 182 Ca -0.01 -1.58 -0.42 0.00 0.71 0.00 0.00 54.79 53.50 3khr n ASP 182 Cb 0.24 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 3khr n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3khr s VAL 183 N -1.90 4.85 0.08 2.53 1.01 -0.78 -4.98 120.40 121.21 3khr s VAL 183 Ca 0.35 2.03 -0.36 0.00 0.00 0.00 0.00 61.98 64.01 3khr s VAL 183 Cb 0.19 -4.31 -0.18 0.00 0.00 0.00 0.00 36.38 32.08 3khr s VAL 183 CO 0.30 0.12 1.04 -2.65 0.00 0.00 0.00 175.10 173.90 3khr n PRO 184 N 4.23 0.41 -0.15 2.72 -0.02 -1.26 -1.76 135.00 139.16 3khr n PRO 184 Ca 0.07 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3khr n PRO 184 Cb 0.50 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3khr n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khr n GLY 185 N 1.84 0.87 3.26 -1.23 0.00 -1.26 -5.02 105.19 103.65 3khr n GLY 185 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3khr n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khr s ILE 186 N -2.50 3.83 0.00 -0.61 -1.09 -0.72 -5.02 121.20 115.09 3khr s ILE 186 Ca 0.00 -1.28 0.00 0.00 -2.23 0.00 0.00 60.65 57.14 3khr s ILE 186 Cb 0.00 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 3khr s ILE 186 CO 0.00 -0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.02 3khr n GLY 187 N 4.81 2.02 0.26 6.18 0.00 -1.26 -4.74 105.19 112.46 3khr n GLY 187 Ca -0.11 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.78 3khr n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khr h ASN 188 N 0.00 0.52 -0.43 1.61 2.35 -1.98 -1.07 115.58 116.58 3khr h ASN 188 Ca 0.00 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3khr h ASN 188 Cb 0.00 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3khr h ASN 188 CO 0.00 0.33 0.18 0.40 -1.65 0.00 0.00 177.43 176.69 3khr h ILE 189 N 0.66 1.20 -0.17 2.81 1.08 -2.00 -1.02 117.51 120.07 3khr h ILE 189 Ca 0.31 -0.60 -0.22 0.00 -0.39 0.00 0.00 64.86 63.97 3khr h ILE 189 Cb 0.24 0.79 0.01 0.00 -3.07 0.00 0.00 36.82 34.78 3khr h ILE 189 CO -0.21 0.22 -0.75 0.74 -0.69 0.00 0.00 178.15 177.47 3khr h THR 190 N 0.55 1.28 -0.88 -0.27 2.02 -1.90 -2.61 112.91 111.09 3khr h THR 190 Ca 0.14 -1.94 -0.01 0.00 0.77 0.00 0.00 66.41 65.37 3khr h THR 190 Cb 0.18 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 3khr h THR 190 CO -0.01 0.62 0.51 0.00 0.37 0.00 0.00 175.52 177.00 3khr h ALA 191 N 0.58 1.13 -0.26 6.16 0.00 -1.09 0.20 119.26 125.99 3khr h ALA 191 Ca -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3khr h ALA 191 Cb 1.37 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3khr h ALA 191 CO 0.16 0.61 0.04 0.93 0.00 0.00 0.00 179.25 180.99 3khr h GLU 192 N 1.22 0.43 -0.85 0.00 4.39 -1.19 -1.15 114.58 117.44 3khr h GLU 192 Ca 0.31 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.95 3khr h GLU 192 Cb -0.01 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 3khr h GLU 192 CO -0.06 0.55 0.55 0.87 -1.16 0.00 0.00 179.01 179.77 3khr h LYS 193 N 0.24 0.96 -0.29 2.33 1.57 -1.07 -2.79 116.57 117.51 3khr h LYS 193 Ca 0.08 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3khr h LYS 193 Cb 0.33 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3khr h LYS 193 CO 0.01 0.64 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.42 3khr h LEU 194 N 0.99 0.53 -1.56 2.94 3.38 -0.27 -3.08 115.31 118.24 3khr h LEU 194 Ca 0.35 -0.34 0.19 0.00 0.09 0.00 0.00 57.88 58.18 3khr h LEU 194 Cb 0.13 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3khr h LEU 194 CO -0.12 0.74 0.57 0.11 0.09 0.00 0.00 178.44 179.84 3khr h LYS 195 N 0.31 0.37 0.00 1.13 1.57 -0.95 0.35 116.57 119.35 3khr h LYS 195 Ca 0.08 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3khr h LYS 195 Cb 0.49 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3khr h LYS 195 CO 0.02 0.24 -0.08 0.87 -0.57 0.00 0.00 179.45 179.93 3khr h LYS 196 N 0.38 0.00 -0.20 3.15 1.79 -1.43 -2.10 116.57 118.16 3khr h LYS 196 Ca 0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 3khr h LYS 196 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3khr h LYS 196 CO -0.15 0.08 0.00 1.28 -1.08 0.00 0.00 179.45 179.58 3khr n LEU 197 N -3.22 2.45 -0.03 2.94 4.77 0.02 -4.93 117.00 118.99 3khr n LEU 197 Ca 0.00 -0.98 -0.00 0.00 -0.03 0.00 0.00 56.01 55.00 3khr n LEU 197 Cb 0.35 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3khr n LEU 197 CO 0.30 0.49 -0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3khr n GLY 198 N 1.30 0.47 3.52 -0.72 0.00 -0.79 -5.01 105.19 103.95 3khr n GLY 198 Ca 0.17 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3khr n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khr s ILE 199 N -1.92 4.76 -0.03 -0.61 1.01 -0.65 -4.83 121.20 118.92 3khr s ILE 199 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.83 3khr s ILE 199 Cb 0.00 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 3khr s ILE 199 CO 0.00 -0.67 0.06 0.59 0.00 0.00 0.00 174.94 174.92 3khr n ASN 200 N 6.44 3.13 -4.17 3.58 3.02 -1.26 -3.48 115.26 122.51 3khr n ASN 200 Ca -0.01 -0.17 -0.14 0.00 -0.03 0.00 0.00 54.58 54.24 3khr n ASN 200 Cb 0.48 1.07 -0.11 0.00 -0.61 0.00 0.00 39.78 40.61 3khr n ASN 200 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3khr s LYS 201 N -1.85 0.84 0.28 3.52 -0.14 -1.26 -1.29 119.74 119.82 3khr s LYS 201 Ca -0.00 -1.18 0.01 0.00 -1.36 0.00 0.00 55.97 53.44 3khr s LYS 201 Cb 0.01 -0.46 0.62 0.00 -1.68 0.00 0.00 37.83 36.32 3khr s LYS 201 CO 0.09 0.06 1.73 -0.07 -0.76 0.00 0.00 175.35 176.40 3khr h LEU 202 N 3.47 0.45 -1.90 3.17 3.38 -1.74 -1.65 115.31 120.49 3khr h LEU 202 Ca -0.37 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3khr h LEU 202 Cb 1.19 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3khr h LEU 202 CO 0.55 0.12 -0.02 1.62 0.09 0.00 0.00 178.44 180.81 3khr h VAL 203 N 0.53 1.03 0.00 1.22 3.04 -1.65 -1.61 116.25 118.81 3khr h VAL 203 Ca 0.51 -0.13 -0.00 0.00 -1.01 0.00 0.00 66.70 66.06 3khr h VAL 203 Cb 0.84 1.03 -0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3khr h VAL 203 CO -0.43 0.04 -0.01 0.44 -1.01 0.00 0.00 177.57 176.59 3khr h ASP 204 N 0.04 0.00 0.71 3.17 3.32 -1.59 -2.20 116.42 119.86 3khr h ASP 204 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3khr h ASP 204 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3khr h ASP 204 CO 0.00 0.01 0.00 0.71 -1.72 0.00 0.00 179.24 178.25 3khr h THR 205 N 0.00 0.00 0.00 0.35 1.35 -1.39 -3.09 112.91 110.13 3khr h THR 205 Ca -0.00 -0.31 -0.15 0.00 -0.55 0.00 0.00 66.41 65.39 3khr h THR 205 Cb 0.04 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 3khr h THR 205 CO 0.00 0.00 -0.72 -0.07 -0.25 0.00 0.00 175.52 174.48 3khr h LEU 206 N 0.00 0.00 -3.23 3.87 3.38 -1.57 -3.29 115.31 114.48 3khr h LEU 206 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3khr h LEU 206 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3khr h LEU 206 CO 0.00 0.72 0.00 -1.20 0.09 0.00 0.00 178.44 178.05 3khr n SER 207 N -3.53 4.19 -4.70 -0.43 7.64 -1.17 -4.93 113.62 110.69 3khr n SER 207 Ca -0.00 -2.73 -0.32 0.00 1.01 0.00 0.00 58.87 56.82 3khr n SER 207 Cb 0.74 -0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 63.34 3khr n SER 207 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3khr s ILE 208 N -2.34 4.22 -0.01 0.44 2.07 -1.24 -5.08 121.20 119.27 3khr s ILE 208 Ca 0.43 -0.66 -0.36 0.00 -1.41 0.00 0.00 60.65 58.64 3khr s ILE 208 Cb 0.31 -2.92 -0.15 0.00 0.13 0.00 0.00 42.46 39.83 3khr s ILE 208 CO 0.14 0.31 1.59 1.21 -1.91 0.00 0.00 174.94 176.28 3khr n GLU 209 N 1.16 1.59 -0.26 3.50 2.13 -1.26 -4.90 120.64 122.59 3khr n GLU 209 Ca -0.13 0.58 -0.06 0.00 0.66 0.00 0.00 57.16 58.20 3khr n GLU 209 Cb 0.52 -2.30 0.05 0.00 0.27 0.00 0.00 31.44 29.99 3khr n GLU 209 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3khr h PHE 210 N 6.32 1.03 -0.02 4.31 3.57 -1.97 -2.08 116.94 128.10 3khr h PHE 210 Ca -0.47 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 60.92 3khr h PHE 210 Cb 1.30 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 3khr h PHE 210 CO 0.69 0.76 -0.26 -0.44 -2.23 0.00 0.00 178.31 176.83 3khr h ASP 211 N 1.00 0.04 -0.27 0.41 3.45 -1.99 -0.29 116.42 118.78 3khr h ASP 211 Ca 0.25 -0.01 -0.18 0.00 0.43 0.00 0.00 57.03 57.52 3khr h ASP 211 Cb 0.12 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3khr h ASP 211 CO -0.03 0.31 -0.53 0.50 -1.57 0.00 0.00 179.24 177.92 3khr h LYS 212 N 0.04 0.86 -0.39 3.56 3.64 -1.82 -1.41 116.57 121.05 3khr h LYS 212 Ca 0.00 -0.53 -0.11 0.00 -1.27 0.00 0.00 60.65 58.74 3khr h LYS 212 Cb 0.49 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3khr h LYS 212 CO 0.04 1.17 -0.19 1.25 -2.27 0.00 0.00 179.45 179.45 3khr h LEU 213 N 0.67 0.83 -0.56 5.20 5.85 -1.05 -2.97 115.31 123.28 3khr h LEU 213 Ca 0.02 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 3khr h LEU 213 Cb 1.13 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3khr h LEU 213 CO 0.12 1.05 0.32 0.50 -0.34 0.00 0.00 178.44 180.09 3khr h LYS 214 N 0.61 0.76 0.00 1.25 3.64 -1.04 -0.72 116.57 121.08 3khr h LYS 214 Ca 0.09 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3khr h LYS 214 Cb 0.74 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3khr h LYS 214 CO 0.06 0.57 -0.05 0.78 -2.27 0.00 0.00 179.45 178.53 3khr h GLY 215 N 0.75 0.00 0.19 5.01 0.00 -1.22 0.39 103.07 108.19 3khr h GLY 215 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.20 3khr h GLY 215 CO -0.04 0.00 -1.81 -0.13 0.00 0.00 0.00 176.54 174.56 3khr n MET 216 N -3.35 0.64 0.00 4.80 0.00 -0.88 -4.69 117.12 113.64 3khr n MET 216 Ca -0.02 0.39 0.02 0.00 -0.00 0.00 0.00 57.70 58.10 3khr n MET 216 Cb 0.19 -1.67 0.01 0.00 0.00 0.00 0.00 33.22 31.75 3khr n MET 216 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 3khr n ILE 217 N -3.99 0.00 0.00 1.12 -5.35 -0.33 -5.07 119.36 105.74 3khr n ILE 217 Ca -0.37 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 3khr n ILE 217 Cb 0.86 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.84 3khr n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khr n GLY 218 N 0.48 -0.50 0.17 3.28 0.00 0.14 -4.47 105.19 104.30 3khr n GLY 218 Ca 0.02 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 3khr n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3khr h GLU 219 N 0.00 -0.29 -0.22 1.61 4.81 -1.92 -1.74 114.58 116.83 3khr h GLU 219 Ca 0.00 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3khr h GLU 219 Cb 0.00 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3khr h GLU 219 CO 0.00 -0.19 0.07 0.00 -0.73 0.00 0.00 179.01 178.16 3khr h ALA 220 N 0.54 0.24 -0.29 2.92 0.00 -1.96 0.54 119.26 121.25 3khr h ALA 220 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3khr h ALA 220 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3khr h ALA 220 CO -0.03 -0.35 -0.27 0.87 0.00 0.00 0.00 179.25 179.47 3khr h LYS 221 N 0.17 0.57 0.22 0.00 1.57 -1.77 -1.02 116.57 116.30 3khr h LYS 221 Ca 0.09 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3khr h LYS 221 Cb 0.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3khr h LYS 221 CO -0.10 0.78 -0.11 0.00 -0.57 0.00 0.00 179.45 179.45 3khr h ALA 222 N 1.22 -0.30 -0.64 3.86 0.00 -0.96 -1.96 119.26 120.48 3khr h ALA 222 Ca 0.07 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3khr h ALA 222 Cb 0.72 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3khr h ALA 222 CO 0.06 -0.61 0.37 0.87 0.00 0.00 0.00 179.25 179.94 3khr h LYS 223 N -0.41 0.69 0.20 0.00 1.57 -0.84 -2.04 116.57 115.73 3khr h LYS 223 Ca -0.03 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3khr h LYS 223 Cb 0.31 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3khr h LYS 223 CO 0.05 0.45 -0.37 -0.92 -0.57 0.00 0.00 179.45 178.09 3khr h TYR 224 N 0.71 -1.02 -0.53 -1.35 3.20 -1.12 -1.26 116.97 115.60 3khr h TYR 224 Ca 0.27 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 3khr h TYR 224 Cb 0.11 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3khr h TYR 224 CO -0.07 -0.49 0.20 -0.07 -1.64 0.00 0.00 178.16 176.09 3khr h LEU 225 N -0.65 0.75 -0.62 2.82 3.38 -1.22 -2.01 115.31 117.77 3khr h LEU 225 Ca 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3khr h LEU 225 Cb 0.65 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3khr h LEU 225 CO -0.17 0.73 0.28 0.40 0.09 0.00 0.00 178.44 179.77 3khr h ILE 226 N 0.73 1.22 -0.71 1.22 2.04 -1.31 0.85 117.51 121.54 3khr h ILE 226 Ca 0.18 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3khr h ILE 226 Cb 0.23 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3khr h ILE 226 CO -0.01 0.26 0.46 -1.28 0.00 0.00 0.00 178.15 177.58 3khr h SER 227 N 0.85 0.77 -0.12 1.72 0.87 -0.96 0.13 113.55 116.80 3khr h SER 227 Ca 0.21 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3khr h SER 227 Cb 0.15 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3khr h SER 227 CO -0.02 0.54 0.02 -0.07 -0.53 0.00 0.00 176.83 176.77 3khr h LEU 228 N 0.91 0.19 -1.69 2.23 3.38 -1.08 0.15 115.31 119.41 3khr h LEU 228 Ca 0.28 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3khr h LEU 228 Cb -0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3khr h LEU 228 CO -0.09 0.40 -0.17 0.00 0.09 0.00 0.00 178.44 178.67 3khr h ALA 229 N 0.80 1.63 -0.00 1.53 0.00 -0.31 -0.84 119.26 122.07 3khr h ALA 229 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3khr h ALA 229 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3khr h ALA 229 CO 0.00 0.22 -0.05 0.54 0.00 0.00 0.00 179.25 179.96 3khr n ARG 230 N -4.22 0.74 -3.00 0.00 1.74 0.41 -4.88 116.66 107.45 3khr n ARG 230 Ca -0.02 -0.15 -0.15 0.00 -0.77 0.00 0.00 57.85 56.75 3khr n ARG 230 Cb 0.24 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 3khr n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3khr n ASP 231 N -1.00 -4.72 0.00 0.55 -0.08 -0.32 -4.93 116.55 106.06 3khr n ASP 231 Ca 0.17 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 3khr n ASP 231 Cb 0.23 -3.43 0.00 0.00 2.34 0.00 0.00 41.12 40.26 3khr n ASP 231 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3khr n GLU 232 N -3.18 5.35 -1.65 -0.67 1.02 -0.00 -5.04 120.64 116.46 3khr n GLU 232 Ca -0.03 0.00 -0.48 0.00 -0.02 0.00 0.00 57.16 56.63 3khr n GLU 232 Cb 0.56 -0.55 -0.05 0.00 -0.02 0.00 0.00 31.44 31.38 3khr n GLU 232 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3khr n TYR 233 N -1.00 2.11 -2.71 -0.32 9.36 -0.94 -4.87 117.16 118.80 3khr n TYR 233 Ca 0.00 0.33 -0.04 0.00 3.32 0.00 0.00 57.90 61.51 3khr n TYR 233 Cb 0.00 -2.51 0.10 0.00 -0.63 0.00 0.00 39.34 36.30 3khr n TYR 233 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3khr n ASN 234 N 3.60 -0.54 -4.71 2.98 5.15 -1.26 -4.81 115.26 115.66 3khr n ASN 234 Ca 0.18 -2.31 -0.42 0.00 -0.60 0.00 0.00 54.58 51.43 3khr n ASN 234 Cb 0.26 0.36 -0.03 0.00 -0.53 0.00 0.00 39.78 39.85 3khr n ASN 234 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3khr s GLU 235 N -1.13 4.37 0.65 1.20 0.41 -1.26 -4.98 118.70 117.97 3khr s GLU 235 Ca 0.19 1.93 -0.16 0.00 -0.41 0.00 0.00 54.97 56.52 3khr s GLU 235 Cb 0.41 -3.30 -0.00 0.00 -1.78 0.00 0.00 34.13 29.46 3khr s GLU 235 CO -0.08 -0.35 1.15 -1.25 -0.49 0.00 0.00 175.26 174.24 3khr s PRO 236 N 1.09 2.75 -0.22 0.39 0.04 -1.26 -4.71 135.00 133.08 3khr s PRO 236 Ca 0.62 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 3khr s PRO 236 Cb -0.33 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3khr s PRO 236 CO 0.30 -1.32 1.11 0.42 0.04 0.00 0.00 177.00 177.55 3khr s ILE 237 N -2.08 4.55 0.09 0.56 1.09 -1.26 -5.03 121.20 119.12 3khr s ILE 237 Ca 0.71 1.86 0.03 0.00 -1.10 0.00 0.00 60.65 62.15 3khr s ILE 237 Cb -0.24 -4.22 -0.03 0.00 -1.06 0.00 0.00 42.46 36.90 3khr s ILE 237 CO 0.39 -0.19 -0.10 0.00 -0.10 0.00 0.00 174.94 174.95 3khr s ARG 238 N 3.33 0.79 0.13 2.79 1.70 -1.26 -4.81 118.95 121.61 3khr s ARG 238 Ca 0.47 -1.09 -0.31 0.00 -0.47 0.00 0.00 55.73 54.33 3khr s ARG 238 Cb -0.17 -0.48 -0.10 0.00 -0.57 0.00 0.00 34.95 33.63 3khr s ARG 238 CO 0.09 0.07 1.79 0.99 -1.08 0.00 0.00 175.30 177.17 3khr s THR 239 N -2.31 2.54 0.10 4.99 2.01 -1.26 -4.41 115.64 117.31 3khr s THR 239 Ca 0.03 0.11 -0.25 0.00 0.31 0.00 0.00 61.69 61.89 3khr s THR 239 Cb -0.04 -3.07 -0.07 0.00 0.01 0.00 0.00 72.50 69.34 3khr s THR 239 CO -0.00 0.00 0.76 -0.13 -0.69 0.00 0.00 174.62 174.56 3khr s ARG 240 N 2.53 4.51 -0.15 4.92 0.52 -1.26 -5.06 118.95 124.96 3khr s ARG 240 Ca 0.79 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.09 3khr s ARG 240 Cb -0.46 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 31.70 3khr s ARG 240 CO 0.35 0.44 -0.15 0.08 0.02 0.00 0.00 175.30 176.04 3khr s VAL 241 N -0.62 2.72 0.18 3.52 1.01 -1.26 -5.00 120.40 120.95 3khr s VAL 241 Ca 0.37 -0.76 -0.32 0.00 0.00 0.00 0.00 61.98 61.26 3khr s VAL 241 Cb -0.22 -2.14 -0.12 0.00 0.00 0.00 0.00 36.38 33.90 3khr s VAL 241 CO 0.24 0.52 1.71 -1.14 0.00 0.00 0.00 175.10 176.42 3khr n ARG 242 N 3.95 2.62 -0.02 2.72 3.00 -1.26 -4.91 116.66 122.75 3khr n ARG 242 Ca -0.19 0.94 0.03 0.00 -0.00 0.00 0.00 57.85 58.64 3khr n ARG 242 Cb 0.52 -2.78 -0.12 0.00 0.00 0.00 0.00 32.46 30.08 3khr n ARG 242 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3khr n LYS 243 N 4.10 0.82 -3.80 -0.14 5.02 -1.26 -4.99 118.16 117.90 3khr n LYS 243 Ca 0.17 -0.10 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 3khr n LYS 243 Cb 0.34 -1.36 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 3khr n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3khr s SER 244 N -4.02 -0.12 -0.03 4.39 1.04 -1.26 -3.78 113.70 109.91 3khr s SER 244 Ca -0.06 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.41 3khr s SER 244 Cb 0.08 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.53 3khr s SER 244 CO 0.61 -0.38 -0.01 -0.63 0.98 0.00 0.00 173.24 173.82 3khr s ILE 245 N -1.18 0.23 0.26 -1.02 -1.09 -0.36 -4.98 121.20 113.07 3khr s ILE 245 Ca -0.12 0.06 -0.18 0.00 -2.23 0.00 0.00 60.65 58.18 3khr s ILE 245 Cb -0.06 -0.32 0.01 0.00 -1.58 0.00 0.00 42.46 40.51 3khr s ILE 245 CO 0.03 0.16 0.61 -0.83 -1.23 0.00 0.00 174.94 173.67 3khr s GLY 246 N 1.03 0.13 -0.15 6.18 0.00 -1.26 -0.45 107.32 112.81 3khr s GLY 246 Ca -0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.01 3khr s GLY 246 CO -0.01 -0.30 0.38 -1.60 0.00 0.00 0.00 173.10 171.57 3khr s ARG 247 N -3.95 0.43 0.02 2.90 6.06 -0.32 -4.93 118.95 119.15 3khr s ARG 247 Ca 0.15 0.58 0.02 0.00 -2.50 0.00 0.00 55.73 53.97 3khr s ARG 247 Cb -0.03 0.16 -0.01 0.00 0.06 0.00 0.00 34.95 35.12 3khr s ARG 247 CO 0.06 -0.08 -0.06 -1.50 -2.50 0.00 0.00 175.30 171.23 3khr s ILE 248 N 0.47 0.42 0.01 4.11 2.07 -1.26 -1.14 121.20 125.88 3khr s ILE 248 Ca -0.02 -0.57 0.01 0.00 -1.41 0.00 0.00 60.65 58.66 3khr s ILE 248 Cb -0.04 -0.43 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 3khr s ILE 248 CO -0.02 -0.11 -0.04 0.68 -1.91 0.00 0.00 174.94 173.53 3khr s VAL 249 N -0.66 0.32 -0.12 4.00 -7.23 -0.76 -4.99 120.40 110.96 3khr s VAL 249 Ca -0.04 -0.45 -0.22 0.00 -1.81 0.00 0.00 61.98 59.46 3khr s VAL 249 Cb -0.05 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.53 3khr s VAL 249 CO 0.00 -0.09 0.65 -0.89 -0.31 0.00 0.00 175.10 174.46 3khr s THR 250 N -0.54 5.05 0.49 5.32 2.01 -1.26 -1.75 115.64 124.97 3khr s THR 250 Ca -0.03 1.31 -0.16 0.00 0.31 0.00 0.00 61.69 63.12 3khr s THR 250 Cb -0.04 -3.99 -0.08 0.00 0.01 0.00 0.00 72.50 68.40 3khr s THR 250 CO -0.00 0.21 0.95 -0.04 -0.69 0.00 0.00 174.62 175.05 3khr s MET 251 N 1.16 3.93 0.12 4.92 -1.94 -0.51 -4.84 119.30 122.13 3khr s MET 251 Ca 0.33 0.88 -0.20 0.00 -1.71 0.00 0.00 55.69 54.99 3khr s MET 251 Cb -0.17 -2.18 -0.08 0.00 2.01 0.00 0.00 34.83 34.41 3khr s MET 251 CO 0.14 -0.22 1.77 0.87 -0.01 0.00 0.00 175.02 177.57 3khr h LYS 252 N 1.00 0.19 -5.79 2.03 6.56 -1.93 -3.43 116.57 115.21 3khr h LYS 252 Ca -0.47 -0.01 -0.57 0.00 -1.06 0.00 0.00 60.65 58.53 3khr h LYS 252 Cb 1.18 -0.04 -0.30 0.00 -0.57 0.00 0.00 32.23 32.50 3khr h LYS 252 CO 0.62 0.13 -0.84 -0.98 -2.06 0.00 0.00 179.45 176.31 3khr s ARG 253 N -6.18 1.58 0.38 3.15 1.70 -1.26 -4.85 118.95 113.48 3khr s ARG 253 Ca -0.13 -0.68 -0.27 0.00 -0.47 0.00 0.00 55.73 54.18 3khr s ARG 253 Cb 0.08 -1.51 -0.11 0.00 -0.57 0.00 0.00 34.95 32.84 3khr s ARG 253 CO 0.68 0.39 1.41 0.09 -1.08 0.00 0.00 175.30 176.80 3khr n ASN 254 N 2.66 3.36 -3.77 -2.89 3.02 -1.26 -4.93 115.26 111.46 3khr n ASN 254 Ca -0.15 1.20 -0.10 0.00 -0.03 0.00 0.00 54.58 55.50 3khr n ASN 254 Cb 0.53 -1.57 -0.06 0.00 -0.61 0.00 0.00 39.78 38.07 3khr n ASN 254 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3khr s SER 255 N -0.26 -0.05 0.00 6.41 0.15 0.09 -4.85 113.70 115.19 3khr s SER 255 Ca 0.56 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.68 3khr s SER 255 Cb -0.50 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 3khr s SER 255 CO 0.62 -0.80 0.39 0.54 1.20 0.00 0.00 173.24 175.18 3khr n ARG 256 N -0.15 -0.16 -2.79 5.44 1.74 -1.26 -0.07 116.66 119.41 3khr n ARG 256 Ca -0.15 -0.44 -0.43 0.00 -0.77 0.00 0.00 57.85 56.07 3khr n ARG 256 Cb 0.63 -0.80 -0.04 0.00 -1.02 0.00 0.00 32.46 31.24 3khr n ARG 256 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3khr s ASN 257 N -0.11 6.64 0.22 0.55 3.04 -1.26 -4.94 114.94 119.08 3khr s ASN 257 Ca 0.00 0.49 -0.08 0.00 0.04 0.00 0.00 52.86 53.31 3khr s ASN 257 Cb 0.00 -2.47 0.32 0.00 -1.54 0.00 0.00 41.25 37.56 3khr s ASN 257 CO 0.00 -0.92 1.75 0.25 -3.04 0.00 0.00 177.10 175.14 3khr h LEU 258 N 10.24 0.31 -1.60 3.21 5.85 -1.99 -1.22 115.31 130.10 3khr h LEU 258 Ca -0.23 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3khr h LEU 258 Cb 1.08 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3khr h LEU 258 CO 1.00 0.17 0.00 -0.33 -0.34 0.00 0.00 178.44 178.94 3khr h GLU 259 N 0.47 0.00 0.14 1.25 4.39 -2.00 -0.22 114.58 118.61 3khr h GLU 259 Ca 0.34 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.71 3khr h GLU 259 Cb 0.41 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3khr h GLU 259 CO -0.31 0.00 -1.66 1.49 -1.16 0.00 0.00 179.01 177.37 3khr h GLU 260 N 0.00 0.29 0.04 2.33 4.81 -1.67 -3.37 114.58 117.00 3khr h GLU 260 Ca 0.00 -0.50 -0.24 0.00 -0.13 0.00 0.00 59.36 58.49 3khr h GLU 260 Cb 0.46 0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.03 3khr h GLU 260 CO 0.00 1.17 -1.03 0.82 -0.73 0.00 0.00 179.01 179.23 3khr h ILE 261 N 0.08 1.41 -0.55 2.32 2.04 -0.96 -3.39 117.51 118.46 3khr h ILE 261 Ca -0.30 -2.57 0.11 0.00 1.00 0.00 0.00 64.86 63.11 3khr h ILE 261 Cb 2.05 2.55 -0.11 0.00 -0.74 0.00 0.00 36.82 40.57 3khr h ILE 261 CO 0.16 0.76 -0.17 0.11 0.00 0.00 0.00 178.15 179.02 3khr h LYS 262 N 0.21 -0.03 -0.67 2.37 1.57 -1.21 -1.56 116.57 117.25 3khr h LYS 262 Ca -0.10 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3khr h LYS 262 Cb 1.69 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.96 3khr h LYS 262 CO 0.18 -0.02 0.44 -1.35 -0.57 0.00 0.00 179.45 178.13 3khr h PRO 263 N -0.03 0.65 -0.24 3.15 0.11 -1.78 0.73 132.00 134.59 3khr h PRO 263 Ca 0.26 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 3khr h PRO 263 Cb 0.44 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3khr h PRO 263 CO -0.59 0.43 0.09 1.88 -0.21 0.00 0.00 178.00 179.60 3khr h TYR 264 N 0.67 0.37 0.03 0.65 0.05 -1.54 -1.90 116.97 115.30 3khr h TYR 264 Ca 0.29 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 59.06 3khr h TYR 264 Cb 0.29 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 3khr h TYR 264 CO -0.00 0.41 -0.14 1.25 -1.05 0.00 0.00 178.16 178.63 3khr h LEU 265 N 0.23 -0.40 -1.13 3.88 5.85 -0.88 -2.04 115.31 120.82 3khr h LEU 265 Ca 0.08 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3khr h LEU 265 Cb 0.20 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3khr h LEU 265 CO -0.00 -0.20 0.50 -0.26 -0.34 0.00 0.00 178.44 178.14 3khr h PHE 266 N -0.25 1.06 -0.30 1.25 0.04 -0.83 -0.67 116.94 117.24 3khr h PHE 266 Ca 0.04 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.84 3khr h PHE 266 Cb 0.30 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 3khr h PHE 266 CO -0.18 0.70 0.13 -0.09 -0.60 0.00 0.00 178.31 178.27 3khr h ARG 267 N 1.12 0.28 -0.60 1.51 2.43 -1.17 -0.50 114.38 117.45 3khr h ARG 267 Ca 0.30 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 3khr h ARG 267 Cb -0.07 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3khr h ARG 267 CO -0.06 0.18 0.27 0.00 -1.51 0.00 0.00 179.97 178.86 3khr h ALA 268 N 1.17 1.34 -0.07 2.80 0.00 -0.52 -1.10 119.26 122.88 3khr h ALA 268 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3khr h ALA 268 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3khr h ALA 268 CO -0.10 0.50 0.02 0.82 0.00 0.00 0.00 179.25 180.49 3khr h ILE 269 N 0.85 1.19 -0.49 0.00 2.04 -0.70 -0.31 117.51 120.10 3khr h ILE 269 Ca 0.21 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.51 3khr h ILE 269 Cb 0.12 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 3khr h ILE 269 CO -0.02 0.16 0.27 -0.33 0.00 0.00 0.00 178.15 178.23 3khr h GLU 270 N -0.10 0.52 -0.58 2.37 4.39 -0.89 -1.03 114.58 119.26 3khr h GLU 270 Ca 0.02 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3khr h GLU 270 Cb 0.25 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3khr h GLU 270 CO 0.00 0.34 0.36 0.93 -1.16 0.00 0.00 179.01 179.49 3khr h GLU 271 N 0.53 0.78 -0.45 2.33 5.08 -1.11 -2.29 114.58 119.46 3khr h GLU 271 Ca 0.20 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3khr h GLU 271 Cb 0.07 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3khr h GLU 271 CO -0.12 0.55 0.26 0.77 -1.00 0.00 0.00 179.01 179.47 3khr h SER 272 N 0.78 0.55 0.00 1.42 0.02 -0.58 -2.66 113.55 113.09 3khr h SER 272 Ca 0.21 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 3khr h SER 272 Cb -0.04 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3khr h SER 272 CO -0.04 0.47 -0.34 1.88 -1.14 0.00 0.00 176.83 177.66 3khr h TYR 273 N 0.59 0.54 -0.34 3.45 0.05 -1.12 -0.16 116.97 119.98 3khr h TYR 273 Ca 0.16 -0.14 0.03 0.00 0.05 0.00 0.00 58.73 58.83 3khr h TYR 273 Cb 0.03 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 3khr h TYR 273 CO -0.03 0.75 0.15 -0.92 -1.05 0.00 0.00 178.16 177.07 3khr h TYR 274 N 0.40 0.28 -0.01 4.88 3.20 -1.34 -2.28 116.97 122.11 3khr h TYR 274 Ca 0.05 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3khr h TYR 274 Cb 0.78 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3khr h TYR 274 CO 0.03 0.14 -0.37 0.87 -1.64 0.00 0.00 178.16 177.19 3khr h LYS 275 N 0.32 0.02 -0.75 1.82 1.57 -1.09 -3.21 116.57 115.25 3khr h LYS 275 Ca 0.15 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3khr h LYS 275 Cb 0.08 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3khr h LYS 275 CO -0.12 0.39 0.33 -0.07 -0.57 0.00 0.00 179.45 179.41 3khr h LEU 276 N 0.02 1.01 -2.88 2.94 3.38 -0.45 -3.48 115.31 115.85 3khr h LEU 276 Ca -0.00 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3khr h LEU 276 Cb 0.67 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3khr h LEU 276 CO 0.05 0.88 -0.90 -0.67 0.09 0.00 0.00 178.44 177.89 3khr n ASP 277 N -4.36 -5.18 0.00 -0.43 4.64 -1.09 -2.30 116.55 107.84 3khr n ASP 277 Ca 0.06 0.17 0.00 0.00 -1.38 0.00 0.00 54.79 53.65 3khr n ASP 277 Cb 0.16 -1.32 0.00 0.00 -1.04 0.00 0.00 41.12 38.92 3khr n ASP 277 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3khr n LYS 278 N 0.72 0.00 -2.62 -0.67 4.76 -1.26 -4.98 118.16 114.11 3khr n LYS 278 Ca -0.03 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.01 3khr n LYS 278 Cb 0.47 -0.50 -0.05 0.00 -1.84 0.00 0.00 35.03 33.11 3khr n LYS 278 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3khr s ARG 279 N -0.02 4.71 -0.17 1.97 0.52 -0.97 -5.03 118.95 119.95 3khr s ARG 279 Ca 0.00 1.62 0.01 0.00 -0.52 0.00 0.00 55.73 56.84 3khr s ARG 279 Cb 0.00 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 32.21 3khr s ARG 279 CO 0.00 0.27 -0.20 0.42 0.02 0.00 0.00 175.30 175.82 3khr s ILE 280 N -0.72 2.12 0.20 1.52 -1.09 -1.26 -4.88 121.20 117.09 3khr s ILE 280 Ca 0.45 -0.93 -0.13 0.00 -2.23 0.00 0.00 60.65 57.82 3khr s ILE 280 Cb -0.28 -1.89 -0.07 0.00 -1.58 0.00 0.00 42.46 38.64 3khr s ILE 280 CO 0.35 0.54 0.58 -2.16 -1.23 0.00 0.00 174.94 173.01 3khr s PRO 281 N 1.21 3.93 0.00 2.79 0.04 -1.26 -0.82 135.00 140.89 3khr s PRO 281 Ca 0.03 0.44 0.16 0.00 0.04 0.00 0.00 61.00 61.68 3khr s PRO 281 Cb -0.14 -2.76 -0.13 0.00 0.04 0.00 0.00 34.50 31.51 3khr s PRO 281 CO -0.11 0.38 0.75 1.63 0.04 0.00 0.00 177.00 179.69 3khr n LYS 282 N 0.30 1.64 -4.35 4.56 5.02 -0.62 -0.32 118.16 124.38 3khr n LYS 282 Ca -0.02 -0.24 -0.21 0.00 -2.02 0.00 0.00 58.31 55.82 3khr n LYS 282 Cb 0.52 -1.28 -0.13 0.00 -0.02 0.00 0.00 35.03 34.12 3khr n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khr s ALA 283 N -2.38 1.39 -0.02 7.82 0.00 -0.78 -0.49 121.76 127.30 3khr s ALA 283 Ca 0.08 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3khr s ALA 283 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3khr s ALA 283 CO 0.60 0.26 -0.07 -1.50 0.00 0.00 0.00 175.76 175.05 3khr s ILE 284 N -0.99 0.63 -0.05 0.00 2.07 -0.66 -2.13 121.20 120.07 3khr s ILE 284 Ca 0.03 -0.28 0.03 0.00 -1.41 0.00 0.00 60.65 59.01 3khr s ILE 284 Cb -0.09 -0.56 0.01 0.00 0.13 0.00 0.00 42.46 41.94 3khr s ILE 284 CO 0.02 0.20 -0.13 -1.00 -1.91 0.00 0.00 174.94 172.12 3khr s HIS 285 N 0.17 1.46 -0.11 3.50 3.76 0.23 -1.22 115.29 123.08 3khr s HIS 285 Ca -0.02 -0.47 -0.03 0.00 -0.15 0.00 0.00 55.06 54.39 3khr s HIS 285 Cb -0.07 -1.03 -0.03 0.00 1.11 0.00 0.00 32.58 32.55 3khr s HIS 285 CO 0.00 -0.21 0.01 0.08 -0.85 0.00 0.00 174.74 173.77 3khr s VAL 286 N 0.36 4.34 -0.03 -0.90 1.01 0.00 -0.45 120.40 124.73 3khr s VAL 286 Ca -0.09 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.74 3khr s VAL 286 Cb -0.13 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3khr s VAL 286 CO 0.03 0.57 -0.23 0.54 0.00 0.00 0.00 175.10 176.00 3khr s VAL 287 N -0.53 1.87 0.03 2.92 0.11 0.89 -1.16 120.40 124.53 3khr s VAL 287 Ca 0.09 -1.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.21 3khr s VAL 287 Cb -0.12 -1.56 -0.02 0.00 -1.53 0.00 0.00 36.38 33.15 3khr s VAL 287 CO 0.02 0.53 -0.20 0.00 -3.33 0.00 0.00 175.10 172.12 3khr s ALA 288 N -0.42 1.70 -0.25 1.54 0.00 0.45 0.28 121.76 125.05 3khr s ALA 288 Ca 0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 3khr s ALA 288 Cb -0.10 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.69 3khr s ALA 288 CO 0.00 0.39 -0.07 0.08 0.00 0.00 0.00 175.76 176.16 3khr s VAL 289 N -0.72 2.73 1.02 0.00 1.01 0.78 -0.80 120.40 124.43 3khr s VAL 289 Ca 0.07 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.77 3khr s VAL 289 Cb -0.08 -2.42 0.20 0.00 0.00 0.00 0.00 36.38 34.08 3khr s VAL 289 CO 0.01 0.16 1.15 0.42 0.00 0.00 0.00 175.10 176.85 3khr s THR 290 N 1.29 1.89 0.24 3.92 -4.23 -0.39 -0.19 115.64 118.17 3khr s THR 290 Ca -0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.44 3khr s THR 290 Cb -0.17 -2.67 0.22 0.00 1.34 0.00 0.00 72.50 71.21 3khr s THR 290 CO -0.05 0.00 1.70 -0.33 -0.54 0.00 0.00 174.62 175.40 3khr h GLU 291 N -1.90 0.31 -0.87 3.99 5.08 -1.63 -0.66 114.58 118.90 3khr h GLU 291 Ca -0.49 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3khr h GLU 291 Cb 1.31 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3khr h GLU 291 CO 0.50 0.21 0.03 -0.40 -1.00 0.00 0.00 179.01 178.35 3khr n ASP 292 N -5.10 2.77 -0.68 1.42 3.85 -1.26 -4.87 116.55 112.67 3khr n ASP 292 Ca 0.13 -2.36 -0.09 0.00 -0.71 0.00 0.00 54.79 51.76 3khr n ASP 292 Cb 0.43 -0.57 -0.04 0.00 -1.35 0.00 0.00 41.12 39.59 3khr n ASP 292 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3khr n LEU 293 N 0.18 -0.42 -4.82 -2.12 4.77 -0.26 -5.00 117.00 109.34 3khr n LEU 293 Ca 0.11 0.22 -0.32 0.00 -0.03 0.00 0.00 56.01 55.99 3khr n LEU 293 Cb 0.63 -1.95 0.01 0.00 -2.33 0.00 0.00 43.42 39.78 3khr n LEU 293 CO 0.13 -0.69 0.71 -0.62 -1.33 0.00 0.00 177.39 175.59 3khr s ASP 294 N -2.56 5.89 -0.08 -1.43 2.15 -1.26 -4.80 116.67 114.59 3khr s ASP 294 Ca 0.00 1.71 0.03 0.00 0.43 0.00 0.00 52.55 54.71 3khr s ASP 294 Cb 0.00 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 3khr s ASP 294 CO 0.00 -1.09 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.13 3khr s ILE 295 N -2.64 2.96 -0.01 4.11 1.01 -1.26 -1.26 121.20 124.11 3khr s ILE 295 Ca 0.61 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.56 3khr s ILE 295 Cb -0.14 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 3khr s ILE 295 CO 0.40 0.57 -0.12 -0.69 0.00 0.00 0.00 174.94 175.10 3khr s VAL 296 N -0.30 0.94 -0.00 2.92 1.01 0.02 -5.01 120.40 119.97 3khr s VAL 296 Ca 0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 3khr s VAL 296 Cb -0.13 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 3khr s VAL 296 CO 0.03 0.26 0.03 -0.94 0.00 0.00 0.00 175.10 174.47 3khr s SER 297 N -0.29 0.07 -0.03 3.32 1.04 -1.26 -0.41 113.70 116.14 3khr s SER 297 Ca 0.04 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.33 3khr s SER 297 Cb -0.05 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.18 3khr s SER 297 CO -0.00 -0.16 -0.09 -0.13 0.98 0.00 0.00 173.24 173.83 3khr s ARG 298 N -0.69 0.95 0.31 4.02 1.81 -0.31 -4.99 118.95 120.05 3khr s ARG 298 Ca -0.08 -0.30 0.03 0.00 -1.72 0.00 0.00 55.73 53.66 3khr s ARG 298 Cb -0.05 -0.89 -0.05 0.00 -0.45 0.00 0.00 34.95 33.52 3khr s ARG 298 CO -0.00 0.11 0.11 0.20 -0.68 0.00 0.00 175.30 175.04 3khr s GLY 299 N 0.18 2.03 -0.14 -3.53 0.00 -1.26 -0.82 107.32 103.78 3khr s GLY 299 Ca -0.03 -1.78 -0.11 0.00 0.00 0.00 0.00 44.72 42.80 3khr s GLY 299 CO 0.00 -1.67 0.36 -1.60 0.00 0.00 0.00 173.10 170.19 3khr s ARG 300 N -3.90 0.39 -0.10 2.90 3.52 -0.36 -5.00 118.95 116.40 3khr s ARG 300 Ca 0.35 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 3khr s ARG 300 Cb 0.06 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.53 3khr s ARG 300 CO 0.15 -0.10 -0.10 0.99 -0.81 0.00 0.00 175.30 175.43 3khr s THR 301 N 0.69 3.34 0.21 4.11 2.01 -1.26 -1.65 115.64 123.09 3khr s THR 301 Ca -0.04 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.44 3khr s THR 301 Cb -0.05 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 3khr s THR 301 CO -0.05 0.55 0.12 -0.36 -0.69 0.00 0.00 174.62 174.20 3khr s PHE 302 N -0.19 3.03 -1.73 4.92 0.40 0.36 -5.01 117.98 119.76 3khr s PHE 302 Ca 0.01 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 3khr s PHE 302 Cb -0.13 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 41.98 3khr s PHE 302 CO 0.03 0.53 0.75 -0.35 0.70 0.00 0.00 175.22 176.88 3khr n PRO 303 N -0.67 0.87 -3.91 0.24 -0.04 -1.26 -4.80 135.00 125.42 3khr n PRO 303 Ca -0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.29 3khr n PRO 303 Cb 0.56 -1.12 -0.02 0.00 -0.04 0.00 0.00 33.50 32.89 3khr n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3khr s HIS 304 N -1.73 0.22 0.70 0.54 -3.43 -1.26 -5.14 115.29 105.18 3khr s HIS 304 Ca 0.00 -0.68 -0.14 0.00 -0.80 0.00 0.00 55.06 53.45 3khr s HIS 304 Cb 0.00 0.50 0.02 0.00 -1.43 0.00 0.00 32.58 31.67 3khr s HIS 304 CO 0.00 -1.25 1.11 0.20 -2.00 0.00 0.00 174.74 172.80 3khr s GLY 305 N -3.03 2.01 -0.28 -1.38 0.00 -1.26 -4.45 107.32 98.93 3khr s GLY 305 Ca 0.18 0.47 -0.07 0.00 0.00 0.00 0.00 44.72 45.30 3khr s GLY 305 CO 0.11 0.83 0.08 -0.42 0.00 0.00 0.00 173.10 173.70 3khr s ILE 306 N -2.50 4.17 0.75 0.90 1.01 0.56 -4.95 121.20 121.14 3khr s ILE 306 Ca 0.65 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 3khr s ILE 306 Cb -0.20 -3.06 0.05 0.00 0.01 0.00 0.00 42.46 39.25 3khr s ILE 306 CO 0.46 0.18 1.09 -0.94 0.00 0.00 0.00 174.94 175.74 3khr s SER 307 N 1.56 4.61 0.22 3.58 1.04 -1.26 -4.61 113.70 118.84 3khr s SER 307 Ca 0.04 1.86 -0.08 0.00 0.48 0.00 0.00 55.95 58.25 3khr s SER 307 Cb -0.16 -2.53 0.27 0.00 0.10 0.00 0.00 66.02 63.70 3khr s SER 307 CO 0.03 -1.96 1.83 0.50 0.98 0.00 0.00 173.24 174.61 3khr h LYS 308 N -0.92 0.78 -0.53 4.02 3.64 -2.00 -0.65 116.57 120.91 3khr h LYS 308 Ca -0.44 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 3khr h LYS 308 Cb 1.23 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 3khr h LYS 308 CO 0.52 0.52 0.23 0.93 -2.27 0.00 0.00 179.45 179.38 3khr h GLU 309 N 0.81 0.79 -0.46 1.90 3.07 -2.02 -2.67 114.58 115.99 3khr h GLU 309 Ca 0.33 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.99 3khr h GLU 309 Cb 0.17 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 3khr h GLU 309 CO -0.17 0.67 0.01 1.15 -1.40 0.00 0.00 179.01 179.27 3khr h THR 310 N 0.72 1.23 -0.91 1.13 2.02 -1.78 -2.86 112.91 112.46 3khr h THR 310 Ca 0.18 -0.95 0.09 0.00 0.77 0.00 0.00 66.41 66.50 3khr h THR 310 Cb 0.17 0.87 -0.07 0.00 -1.74 0.00 0.00 68.15 67.38 3khr h THR 310 CO -0.02 0.34 0.59 0.00 0.37 0.00 0.00 175.52 176.80 3khr h ALA 311 N 1.31 1.60 0.44 6.16 0.00 -0.79 -1.35 119.26 126.63 3khr h ALA 311 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3khr h ALA 311 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3khr h ALA 311 CO 0.02 0.22 -0.48 1.88 0.00 0.00 0.00 179.25 180.89 3khr h TYR 312 N 0.93 -1.33 -0.10 0.00 0.05 -1.33 0.04 116.97 115.23 3khr h TYR 312 Ca 0.42 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 59.08 3khr h TYR 312 Cb 0.38 0.52 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 3khr h TYR 312 CO -0.00 -0.63 -0.53 0.66 -1.05 0.00 0.00 178.16 176.61 3khr h SER 313 N -0.93 0.30 -0.64 3.88 4.64 -1.60 -2.52 113.55 116.68 3khr h SER 313 Ca -0.06 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 3khr h SER 313 Cb 0.81 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 3khr h SER 313 CO -0.08 0.77 0.20 -0.08 -0.87 0.00 0.00 176.83 176.78 3khr h GLU 314 N 0.21 1.00 -0.47 4.77 4.57 -1.21 -2.87 114.58 120.57 3khr h GLU 314 Ca 0.00 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 3khr h GLU 314 Cb 1.01 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 3khr h GLU 314 CO 0.08 0.87 0.06 0.66 -1.18 0.00 0.00 179.01 179.51 3khr h SER 315 N 0.92 0.70 -0.51 1.04 4.64 -0.74 -2.36 113.55 117.25 3khr h SER 315 Ca 0.21 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3khr h SER 315 Cb 0.29 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 3khr h SER 315 CO -0.01 0.73 0.31 0.58 -0.87 0.00 0.00 176.83 177.57 3khr h VAL 316 N 0.71 1.06 -0.58 0.95 2.07 -1.32 -0.75 116.25 118.40 3khr h VAL 316 Ca 0.15 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 3khr h VAL 316 Cb 0.35 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3khr h VAL 316 CO 0.01 0.11 0.06 0.11 0.02 0.00 0.00 177.57 177.88 3khr h LYS 317 N 0.62 0.98 -0.79 1.57 1.57 -1.27 -0.08 116.57 119.16 3khr h LYS 317 Ca 0.20 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3khr h LYS 317 Cb 0.01 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 3khr h LYS 317 CO -0.09 0.94 0.44 -0.07 -0.57 0.00 0.00 179.45 180.11 3khr h LEU 318 N 0.87 0.98 -0.70 2.94 3.38 -1.08 0.02 115.31 121.71 3khr h LEU 318 Ca 0.17 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3khr h LEU 318 Cb 0.46 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3khr h LEU 318 CO 0.02 0.78 0.28 0.25 0.09 0.00 0.00 178.44 179.86 3khr h LEU 319 N 1.09 0.96 -1.32 1.67 5.85 -0.70 -2.25 115.31 120.61 3khr h LEU 319 Ca 0.28 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3khr h LEU 319 Cb 0.02 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3khr h LEU 319 CO -0.05 0.87 -0.07 1.56 -0.34 0.00 0.00 178.44 180.42 3khr h GLN 320 N 1.00 0.38 -0.27 1.25 4.20 -0.52 -0.80 115.11 120.34 3khr h GLN 320 Ca 0.23 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3khr h GLN 320 Cb 0.21 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3khr h GLN 320 CO -0.02 0.46 0.09 -0.22 -0.67 0.00 0.00 178.83 178.47 3khr h LYS 321 N 0.36 0.42 -0.27 1.46 3.64 -0.61 -1.17 116.57 120.41 3khr h LYS 321 Ca 0.08 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3khr h LYS 321 Cb 0.35 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3khr h LYS 321 CO 0.02 0.48 0.13 0.82 -2.27 0.00 0.00 179.45 178.64 3khr h ILE 322 N 0.28 1.00 0.00 2.00 2.04 -0.87 -0.22 117.51 121.73 3khr h ILE 322 Ca 0.09 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3khr h ILE 322 Cb 0.24 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3khr h ILE 322 CO -0.00 0.05 -0.10 -0.07 0.00 0.00 0.00 178.15 178.03 3khr h LEU 323 N 0.28 0.00 0.00 1.44 4.07 -1.09 0.24 115.31 120.25 3khr h LEU 323 Ca 0.11 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 3khr h LEU 323 Cb 0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 3khr h LEU 323 CO -0.07 0.10 -0.91 -0.08 -1.08 0.00 0.00 178.44 176.40 3khr h GLU 324 N 0.00 0.00 -0.15 1.13 4.57 -0.72 -3.38 114.58 116.03 3khr h GLU 324 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3khr h GLU 324 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3khr h GLU 324 CO 0.01 0.14 0.00 0.39 -1.18 0.00 0.00 179.01 178.37 3khr n GLU 325 N -2.87 1.51 -3.52 1.92 1.02 -0.14 -4.87 120.64 113.69 3khr n GLU 325 Ca -0.02 -1.58 -0.09 0.00 -0.02 0.00 0.00 57.16 55.45 3khr n GLU 325 Cb 0.65 -1.27 -0.09 0.00 -0.02 0.00 0.00 31.44 30.70 3khr n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3khr s ASP 326 N -1.06 0.02 0.31 1.62 -1.08 0.76 -5.02 116.67 112.21 3khr s ASP 326 Ca 0.19 0.61 0.26 0.00 -0.52 0.00 0.00 52.55 53.09 3khr s ASP 326 Cb 0.12 1.19 0.77 0.00 -1.46 0.00 0.00 42.92 43.53 3khr s ASP 326 CO 0.17 -0.26 1.74 1.05 0.52 0.00 0.00 175.17 178.39 3khr h GLU 327 N 8.19 0.00 -7.25 4.34 -0.00 -1.84 -3.41 114.58 114.61 3khr h GLU 327 Ca -0.17 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.67 3khr h GLU 327 Cb 1.13 0.00 0.13 0.00 -0.00 0.00 0.00 28.75 30.01 3khr h GLU 327 CO 0.19 0.00 0.33 1.03 -0.00 0.00 0.00 179.01 180.56 3khr s ARG 328 N -3.21 2.25 0.53 1.06 0.52 -1.26 -5.03 118.95 113.81 3khr s ARG 328 Ca 0.08 1.38 -0.16 0.00 -0.52 0.00 0.00 55.73 56.50 3khr s ARG 328 Cb 0.10 -1.88 -0.07 0.00 0.52 0.00 0.00 34.95 33.62 3khr s ARG 328 CO 0.58 -1.68 1.00 0.15 0.02 0.00 0.00 175.30 175.37 3khr s LYS 329 N -4.46 3.79 -0.11 3.54 1.02 -1.26 -4.92 119.74 117.34 3khr s LYS 329 Ca 0.66 1.02 -0.04 0.00 0.02 0.00 0.00 55.97 57.63 3khr s LYS 329 Cb -0.21 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 3khr s LYS 329 CO 0.50 -0.41 0.05 0.42 -0.92 0.00 0.00 175.35 174.99 3khr s ILE 330 N -2.58 4.70 -0.17 2.17 1.01 0.90 -1.58 121.20 125.66 3khr s ILE 330 Ca 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 3khr s ILE 330 Cb -0.12 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.23 3khr s ILE 330 CO 0.33 0.58 -0.17 -1.14 0.00 0.00 0.00 174.94 174.54 3khr n ARG 331 N 2.37 0.40 -4.77 2.79 0.63 0.74 -0.73 116.66 118.08 3khr n ARG 331 Ca -0.19 0.11 -0.25 0.00 -0.92 0.00 0.00 57.85 56.61 3khr n ARG 331 Cb 0.54 -1.28 -0.15 0.00 0.45 0.00 0.00 32.46 32.02 3khr n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3khr s ARG 332 N -2.33 1.39 -0.04 -0.14 0.52 -0.83 -1.43 118.95 116.10 3khr s ARG 332 Ca -0.23 -0.71 0.03 0.00 -0.52 0.00 0.00 55.73 54.30 3khr s ARG 332 Cb 0.07 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 34.16 3khr s ARG 332 CO 0.36 0.37 -0.11 -1.50 0.02 0.00 0.00 175.30 174.44 3khr s ILE 333 N -0.53 0.96 0.15 1.52 1.10 -0.72 -0.15 121.20 123.53 3khr s ILE 333 Ca 0.07 -0.44 -0.03 0.00 -0.51 0.00 0.00 60.65 59.73 3khr s ILE 333 Cb -0.07 -0.86 -0.03 0.00 0.15 0.00 0.00 42.46 41.65 3khr s ILE 333 CO -0.00 0.30 0.13 -0.83 -2.11 0.00 0.00 174.94 172.43 3khr s GLY 334 N 0.29 0.86 0.02 1.50 0.00 0.14 -1.84 107.32 108.30 3khr s GLY 334 Ca -0.06 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.37 3khr s GLY 334 CO 0.01 -1.20 -0.05 0.54 0.00 0.00 0.00 173.10 172.40 3khr s VAL 335 N -4.03 0.36 0.01 1.40 0.11 -0.29 -0.08 120.40 117.88 3khr s VAL 335 Ca 0.23 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 3khr s VAL 335 Cb 0.06 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 3khr s VAL 335 CO 0.02 -0.23 -0.03 -0.60 -3.33 0.00 0.00 175.10 170.93 3khr s ARG 336 N -0.98 0.22 -0.04 1.54 3.52 0.40 -1.18 118.95 122.43 3khr s ARG 336 Ca -0.07 -0.24 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 3khr s ARG 336 Cb -0.07 -0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.18 3khr s ARG 336 CO -0.00 0.03 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.29 3khr s PHE 337 N -0.43 2.63 0.20 5.12 0.08 0.41 -0.60 117.98 125.38 3khr s PHE 337 Ca -0.03 -0.22 -0.03 0.00 0.12 0.00 0.00 56.93 56.76 3khr s PHE 337 Cb -0.03 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3khr s PHE 337 CO -0.00 0.13 0.32 -1.13 -0.10 0.00 0.00 175.22 174.44 3khr n SER 338 N 2.35 -0.90 -3.41 1.36 3.41 -0.90 -1.22 113.62 114.31 3khr n SER 338 Ca -0.17 -1.95 -0.20 0.00 -0.26 0.00 0.00 58.87 56.29 3khr n SER 338 Cb 0.52 1.60 0.05 0.00 -0.26 0.00 0.00 64.21 66.12 3khr n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3khr n LYS 339 N -0.30 -1.70 -2.17 4.33 5.02 -1.25 -1.86 118.16 120.23 3khr n LYS 339 Ca -0.01 0.79 -0.34 0.00 -2.02 0.00 0.00 58.31 56.73 3khr n LYS 339 Cb 0.31 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 3khr n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3khr s PHE 340 N -3.35 2.85 -2.00 2.13 0.08 -1.26 -1.59 117.98 114.83 3khr s PHE 340 Ca 0.39 1.54 0.29 0.00 0.12 0.00 0.00 56.93 59.27 3khr s PHE 340 Cb -0.09 -3.12 1.70 0.00 -0.57 0.00 0.00 43.02 40.94 3khr s PHE 340 CO 0.79 -1.26 2.04 -0.89 -0.10 0.00 0.00 175.22 175.81