#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfu s VAL 6 N 0.00 4.74 -0.03 5.18 0.11 -1.26 -5.09 120.40 124.04 3mfu s VAL 6 Ca 0.00 0.96 0.03 0.00 -2.93 0.00 0.00 61.98 60.04 3mfu s VAL 6 Cb 0.00 -3.74 -0.03 0.00 -1.53 0.00 0.00 36.38 31.08 3mfu s VAL 6 CO 0.00 0.12 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.05 3mfu s LEU 7 N -2.23 3.05 0.38 2.54 1.43 -1.26 -4.95 118.68 117.65 3mfu s LEU 7 Ca 0.43 -0.12 0.20 0.00 -1.03 0.00 0.00 54.13 53.61 3mfu s LEU 7 Cb -0.14 -1.70 1.19 0.00 0.03 0.00 0.00 46.19 45.56 3mfu s LEU 7 CO 0.20 0.32 1.68 0.15 0.23 0.00 0.00 176.35 178.93 3mfu h PHE 8 N 4.96 0.76 -0.02 0.29 3.57 -1.95 0.56 116.94 125.10 3mfu h PHE 8 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3mfu h PHE 8 Cb 1.17 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.70 3mfu h PHE 8 CO 0.56 -0.13 0.00 0.39 -2.23 0.00 0.00 178.31 176.90 3mfu n GLU 9 N -4.85 1.22 0.08 1.11 1.02 -1.26 -1.69 120.64 116.26 3mfu n GLU 9 Ca 0.32 -0.32 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3mfu n GLU 9 Cb 1.08 -1.45 0.05 0.00 -0.02 0.00 0.00 31.44 31.10 3mfu n GLU 9 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3mfu h ASP 10 N 0.74 0.32 0.10 1.62 3.32 -1.28 -3.36 116.42 117.88 3mfu h ASP 10 Ca 0.00 -0.22 -0.37 0.00 0.02 0.00 0.00 57.03 56.46 3mfu h ASP 10 Cb 0.16 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3mfu h ASP 10 CO 0.00 0.95 -2.16 0.52 -1.72 0.00 0.00 179.24 176.83 3mfu n VAL 11 N -3.78 1.66 -4.65 -1.35 0.31 -1.01 -4.91 118.33 104.60 3mfu n VAL 11 Ca -0.03 -0.65 -0.26 0.00 -0.01 0.00 0.00 64.34 63.39 3mfu n VAL 11 Cb 0.71 -1.53 -0.14 0.00 -0.91 0.00 0.00 33.84 31.97 3mfu n VAL 11 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3mfu s TYR 12 N -2.55 1.93 -0.12 3.52 2.02 -0.68 -1.24 117.35 120.23 3mfu s TYR 12 Ca -0.25 -0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 55.86 3mfu s TYR 12 Cb 0.07 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.46 3mfu s TYR 12 CO 0.72 0.12 0.59 -2.00 -1.57 0.00 0.00 175.55 173.41 3mfu s GLU 13 N -1.29 4.34 0.11 -0.62 2.12 0.76 -4.21 118.70 119.90 3mfu s GLU 13 Ca 0.08 0.63 -0.30 0.00 0.36 0.00 0.00 54.97 55.75 3mfu s GLU 13 Cb -0.09 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.76 3mfu s GLU 13 CO 0.02 0.03 1.02 -0.51 -0.54 0.00 0.00 175.26 175.28 3mfu s LEU 14 N 1.01 4.47 0.00 2.70 1.43 -1.26 -0.44 118.68 126.58 3mfu s LEU 14 Ca 0.30 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3mfu s LEU 14 Cb -0.16 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3mfu s LEU 14 CO 0.13 -0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.54 3mfu s GLU 16 N 1.20 2.79 0.16 0.00 8.01 -1.26 -4.46 118.70 125.14 3mfu s GLU 16 Ca 0.00 1.97 -0.31 0.00 0.01 0.00 0.00 54.97 56.63 3mfu s GLU 16 Cb 0.00 -1.91 -0.10 0.00 -4.31 0.00 0.00 34.13 27.81 3mfu s GLU 16 CO 0.00 -1.39 1.53 0.08 0.01 0.00 0.00 175.26 175.49 3mfu s VAL 17 N -1.47 2.75 -0.26 2.63 1.01 -1.26 -1.46 120.40 122.33 3mfu s VAL 17 Ca 0.80 0.54 -0.16 0.00 0.00 0.00 0.00 61.98 63.16 3mfu s VAL 17 Cb -0.35 -3.35 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 3mfu s VAL 17 CO 0.37 0.04 -0.22 -0.38 0.00 0.00 0.00 175.10 174.92 3mfu n ILE 18 N 3.91 1.53 -3.98 2.22 5.41 0.12 -4.91 119.36 123.66 3mfu n ILE 18 Ca 0.13 -0.30 -0.08 0.00 1.00 0.00 0.00 62.75 63.50 3mfu n ILE 18 Cb 0.39 -1.91 -0.09 0.00 -0.71 0.00 0.00 39.64 37.32 3mfu n ILE 18 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3mfu s GLY 19 N -5.36 0.31 0.00 7.39 0.00 -1.04 -5.02 107.32 103.60 3mfu s GLY 19 Ca -0.36 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.42 3mfu s GLY 19 CO 0.52 -1.07 0.00 1.17 0.00 0.00 0.00 173.10 173.72 3mfu n LYS 20 N 0.01 3.92 0.00 2.90 4.81 -1.26 -0.67 118.16 127.88 3mfu n LYS 20 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 3mfu n LYS 20 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 3mfu n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mfu n GLY 21 N 5.00 0.34 0.22 3.14 0.00 -1.15 -4.72 105.19 108.03 3mfu n GLY 21 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 3mfu n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfu h ALA 22 N 0.00 0.70 0.00 4.61 0.00 -2.02 -3.36 119.26 119.19 3mfu h ALA 22 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3mfu h ALA 22 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3mfu h ALA 22 CO 0.00 0.68 -0.12 1.19 0.00 0.00 0.00 179.25 180.99 3mfu n PHE 23 N -3.99 0.00 -4.17 0.00 3.72 -1.26 -5.02 117.46 106.74 3mfu n PHE 23 Ca -0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.14 3mfu n PHE 23 Cb 0.58 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.05 3mfu n PHE 23 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3mfu s SER 24 N -0.67 4.50 0.00 4.37 1.04 -1.26 -1.94 113.70 119.74 3mfu s SER 24 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3mfu s SER 24 Cb 0.00 -0.64 -0.00 0.00 0.10 0.00 0.00 66.02 65.48 3mfu s SER 24 CO 0.00 -0.31 -0.01 0.54 0.98 0.00 0.00 173.24 174.44 3mfu s VAL 25 N -2.47 0.07 -0.15 5.02 0.11 -0.39 -2.94 120.40 119.64 3mfu s VAL 25 Ca 0.37 -0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.34 3mfu s VAL 25 Cb -0.01 -0.07 -0.02 0.00 -1.53 0.00 0.00 36.38 34.75 3mfu s VAL 25 CO 0.22 0.00 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.22 3mfu s VAL 26 N -0.07 3.52 0.03 2.04 1.01 0.16 -0.32 120.40 126.77 3mfu s VAL 26 Ca -0.00 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3mfu s VAL 26 Cb -0.01 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3mfu s VAL 26 CO -0.00 0.51 -0.06 -0.13 0.00 0.00 0.00 175.10 175.41 3mfu s ARG 27 N 0.37 0.45 0.43 2.72 0.52 -0.24 0.13 118.95 123.34 3mfu s ARG 27 Ca -0.07 -0.60 -0.24 0.00 -0.52 0.00 0.00 55.73 54.30 3mfu s ARG 27 Cb -0.15 -0.24 -0.08 0.00 0.52 0.00 0.00 34.95 35.01 3mfu s ARG 27 CO 0.04 0.04 1.23 0.50 0.02 0.00 0.00 175.30 177.13 3mfu s ARG 28 N -1.23 3.85 0.11 3.54 3.52 -0.54 -0.31 118.95 127.89 3mfu s ARG 28 Ca -0.08 1.96 -0.06 0.00 -0.13 0.00 0.00 55.73 57.41 3mfu s ARG 28 Cb -0.08 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 3mfu s ARG 28 CO 0.00 -0.53 0.16 0.00 -0.81 0.00 0.00 175.30 174.12 3mfu s ILE 30 N -3.93 1.16 -0.02 0.00 1.01 0.42 -0.68 121.20 119.16 3mfu s ILE 30 Ca 0.12 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 3mfu s ILE 30 Cb 0.05 -1.07 -0.07 0.00 0.01 0.00 0.00 42.46 41.38 3mfu s ILE 30 CO -0.06 0.36 1.81 0.21 0.00 0.00 0.00 174.94 177.27 3mfu s ASN 31 N 0.73 6.54 0.25 3.58 3.84 0.65 -0.17 114.94 130.37 3mfu s ASN 31 Ca -0.13 2.42 -0.05 0.00 0.21 0.00 0.00 52.86 55.31 3mfu s ASN 31 Cb -0.16 -2.53 0.28 0.00 -0.55 0.00 0.00 41.25 38.29 3mfu s ASN 31 CO 0.03 -1.01 1.93 0.03 -2.79 0.00 0.00 177.10 175.28 3mfu h ARG 32 N 10.15 1.30 -0.03 0.43 3.08 -1.51 0.17 114.38 127.98 3mfu h ARG 32 Ca -0.44 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.51 3mfu h ARG 32 Cb 1.21 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3mfu h ARG 32 CO 0.95 0.86 -0.08 0.93 -1.07 0.00 0.00 179.97 181.56 3mfu h GLU 33 N 1.34 0.10 0.00 0.04 4.39 -1.90 -3.38 114.58 115.17 3mfu h GLU 33 Ca 0.38 -0.07 -0.18 0.00 0.34 0.00 0.00 59.36 59.83 3mfu h GLU 33 Cb -0.12 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3mfu h GLU 33 CO -0.09 0.69 -1.70 0.25 -1.16 0.00 0.00 179.01 177.00 3mfu n THR 34 N -4.70 1.01 -0.99 1.13 -2.24 -1.18 -4.97 114.28 102.33 3mfu n THR 34 Ca -0.08 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3mfu n THR 34 Cb 0.35 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 3mfu n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mfu n GLY 35 N 1.44 1.01 3.74 3.38 0.00 0.57 -5.03 105.19 110.30 3mfu n GLY 35 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3mfu n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mfu s GLN 36 N -0.00 4.26 0.27 1.61 -0.21 -1.26 -4.68 119.66 119.65 3mfu s GLN 36 Ca 0.00 2.29 -0.29 0.00 0.02 0.00 0.00 55.36 57.39 3mfu s GLN 36 Cb 0.00 -3.13 -0.09 0.00 1.00 0.00 0.00 33.01 30.79 3mfu s GLN 36 CO 0.00 -0.45 0.95 -0.65 -2.12 0.00 0.00 175.29 173.02 3mfu s GLN 37 N -0.01 4.75 0.20 2.91 -0.21 -1.26 -0.25 119.66 125.79 3mfu s GLN 37 Ca 0.61 1.44 -0.01 0.00 0.02 0.00 0.00 55.36 57.43 3mfu s GLN 37 Cb -0.42 -3.11 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 3mfu s GLN 37 CO 0.40 0.43 0.12 -0.06 -2.12 0.00 0.00 175.29 174.06 3mfu s PHE 38 N -1.33 1.18 -0.14 0.91 0.08 0.14 -4.34 117.98 114.48 3mfu s PHE 38 Ca 0.44 -1.34 -0.03 0.00 0.12 0.00 0.00 56.93 56.12 3mfu s PHE 38 Cb -0.24 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 3mfu s PHE 38 CO 0.29 -0.59 -0.05 0.00 -0.10 0.00 0.00 175.22 174.77 3mfu s ALA 39 N -4.10 2.96 -0.12 5.36 0.00 -0.07 -1.04 121.76 124.75 3mfu s ALA 39 Ca 0.38 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3mfu s ALA 39 Cb 0.07 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 3mfu s ALA 39 CO 0.11 0.27 -0.14 0.54 0.00 0.00 0.00 175.76 176.55 3mfu s VAL 40 N 0.18 2.97 -0.33 0.00 0.11 0.58 0.44 120.40 124.35 3mfu s VAL 40 Ca -0.03 -0.69 -0.12 0.00 -2.93 0.00 0.00 61.98 58.21 3mfu s VAL 40 Cb -0.14 -2.23 -0.02 0.00 -1.53 0.00 0.00 36.38 32.45 3mfu s VAL 40 CO 0.03 0.53 0.22 -0.75 -3.33 0.00 0.00 175.10 171.81 3mfu s LYS 41 N 0.29 3.56 -0.29 1.54 2.20 0.13 -1.08 119.74 126.10 3mfu s LYS 41 Ca -0.10 -0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 54.83 3mfu s LYS 41 Cb -0.16 -3.76 -0.01 0.00 -1.51 0.00 0.00 37.83 32.39 3mfu s LYS 41 CO 0.06 -0.40 0.10 0.42 -0.36 0.00 0.00 175.35 175.16 3mfu s ILE 42 N 1.72 4.23 -0.15 5.43 1.01 0.56 -0.31 121.20 133.70 3mfu s ILE 42 Ca 0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 3mfu s ILE 42 Cb -0.17 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3mfu s ILE 42 CO 0.10 0.15 0.05 -0.69 0.00 0.00 0.00 174.94 174.55 3mfu s VAL 43 N 1.56 4.67 -0.63 2.92 1.01 0.23 -1.26 120.40 128.90 3mfu s VAL 43 Ca 0.04 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.68 3mfu s VAL 43 Cb -0.16 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.21 3mfu s VAL 43 CO 0.04 0.52 1.05 -0.62 0.00 0.00 0.00 175.10 176.09 3mfu s ASP 44 N -0.13 6.26 0.17 3.32 3.68 -0.82 -0.94 116.67 128.22 3mfu s ASP 44 Ca 0.06 -0.51 -0.13 0.00 2.13 0.00 0.00 52.55 54.10 3mfu s ASP 44 Cb -0.12 -2.47 0.07 0.00 -1.45 0.00 0.00 42.92 38.94 3mfu s ASP 44 CO 0.01 -1.46 1.77 0.58 0.13 0.00 0.00 175.17 176.20 3mfu h VAL 45 N 6.03 1.19 0.20 1.11 2.07 -1.73 -1.32 116.25 123.80 3mfu h VAL 45 Ca -0.27 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3mfu h VAL 45 Cb 1.07 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3mfu h VAL 45 CO 1.17 0.21 -0.12 0.00 0.02 0.00 0.00 177.57 178.85 3mfu h ALA 46 N 1.13 -1.00 -1.25 1.67 0.00 -1.92 -1.18 119.26 116.70 3mfu h ALA 46 Ca 0.20 -0.06 0.40 0.00 0.00 0.00 0.00 54.91 55.44 3mfu h ALA 46 Cb 0.07 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 17.96 3mfu h ALA 46 CO -0.03 -0.98 0.80 0.87 0.00 0.00 0.00 179.25 179.91 3mfu h LYS 47 N -0.30 0.15 -0.04 0.00 1.57 -1.90 -1.36 116.57 114.69 3mfu h LYS 47 Ca -0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3mfu h LYS 47 Cb 0.24 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3mfu h LYS 47 CO 0.03 0.10 -0.07 0.35 -0.57 0.00 0.00 179.45 179.29 3mfu h PHE 48 N 0.15 0.15 0.00 -1.35 3.57 -1.06 -3.28 116.94 115.11 3mfu h PHE 48 Ca 0.77 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 62.19 3mfu h PHE 48 Cb 2.33 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 41.04 3mfu h PHE 48 CO -0.01 0.63 -0.17 1.15 -2.23 0.00 0.00 178.31 177.69 3mfu h THR 49 N -0.38 0.46 -3.46 4.41 2.02 -0.16 -3.40 112.91 112.40 3mfu h THR 49 Ca 0.00 -0.90 -0.59 0.00 0.77 0.00 0.00 66.41 65.69 3mfu h THR 49 Cb 0.62 1.63 -0.09 0.00 -1.74 0.00 0.00 68.15 68.57 3mfu h THR 49 CO 0.02 0.16 0.60 -0.44 0.37 0.00 0.00 175.52 176.23 3mfu s SER 50 N -6.09 6.70 0.39 4.18 0.01 -0.72 -4.59 113.70 113.58 3mfu s SER 50 Ca -0.00 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.89 3mfu s SER 50 Cb 0.11 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.87 3mfu s SER 50 CO 0.61 -0.83 0.00 -1.20 0.41 0.00 0.00 173.24 172.23 3mfu n SER 51 N 6.70 -2.93 0.00 2.44 7.64 -1.26 -4.89 113.62 121.33 3mfu n SER 51 Ca 0.07 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.68 3mfu n SER 51 Cb 0.48 2.81 0.00 0.00 -1.01 0.00 0.00 64.21 66.49 3mfu n SER 51 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3mfu n PRO 52 N -3.37 2.08 0.00 1.43 -0.04 -1.26 -5.04 135.00 128.80 3mfu n PRO 52 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3mfu n PRO 52 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3mfu n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mfu n GLY 53 N 5.00 1.26 3.81 0.55 0.00 -1.26 -4.94 105.19 109.61 3mfu n GLY 53 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3mfu n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mfu s LEU 54 N 0.00 4.52 0.00 0.99 1.43 -1.26 -5.04 118.68 119.33 3mfu s LEU 54 Ca 0.00 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 3mfu s LEU 54 Cb 0.00 -3.00 -0.00 0.00 0.03 0.00 0.00 46.19 43.22 3mfu s LEU 54 CO 0.00 0.25 0.11 -1.54 0.23 0.00 0.00 176.35 175.40 3mfu n SER 55 N 1.62 -0.31 0.02 2.29 3.41 -1.26 -4.60 113.62 114.79 3mfu n SER 55 Ca -0.09 -1.55 0.06 0.00 -0.26 0.00 0.00 58.87 57.02 3mfu n SER 55 Cb 0.50 0.61 0.46 0.00 -0.26 0.00 0.00 64.21 65.53 3mfu n SER 55 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mfu h THR 56 N 1.29 1.06 -0.27 6.66 2.02 -1.96 -2.98 112.91 118.72 3mfu h THR 56 Ca -0.07 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3mfu h THR 56 Cb 0.33 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3mfu h THR 56 CO 0.10 0.08 0.02 -0.33 0.37 0.00 0.00 175.52 175.77 3mfu h GLU 57 N 0.46 0.40 0.00 6.66 4.39 -1.98 -1.32 114.58 123.20 3mfu h GLU 57 Ca 0.15 -0.07 -0.22 0.00 0.34 0.00 0.00 59.36 59.56 3mfu h GLU 57 Cb 0.02 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3mfu h GLU 57 CO -0.03 0.41 -0.94 -0.44 -1.16 0.00 0.00 179.01 176.85 3mfu h ASP 58 N 0.39 0.52 -0.05 1.42 3.32 -1.93 -0.82 116.42 119.28 3mfu h ASP 58 Ca 0.09 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 3mfu h ASP 58 Cb 0.23 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3mfu h ASP 58 CO 0.00 1.22 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.66 3mfu h LEU 59 N 0.22 0.09 -1.46 1.55 3.38 -1.59 -2.77 115.31 114.74 3mfu h LEU 59 Ca -0.08 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 3mfu h LEU 59 Cb 1.58 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 3mfu h LEU 59 CO 0.16 0.45 -0.07 0.11 0.09 0.00 0.00 178.44 179.18 3mfu h LYS 60 N -0.27 0.26 0.01 1.13 1.57 -1.26 -1.48 116.57 116.53 3mfu h LYS 60 Ca 0.01 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 3mfu h LYS 60 Cb 0.41 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.69 3mfu h LYS 60 CO 0.01 0.36 -1.01 0.07 -0.57 0.00 0.00 179.45 178.30 3mfu h ARG 61 N 0.26 0.55 -0.41 3.15 -0.00 -1.18 -0.89 114.38 115.85 3mfu h ARG 61 Ca 0.06 -0.60 -0.09 0.00 -0.00 0.00 0.00 59.98 59.35 3mfu h ARG 61 Cb 0.30 0.17 -0.02 0.00 -0.00 0.00 0.00 29.97 30.43 3mfu h ARG 61 CO 0.01 1.22 -0.10 1.49 -0.00 0.00 0.00 179.97 182.60 3mfu h GLU 62 N 0.31 0.73 -0.26 0.08 4.81 -1.29 -1.35 114.58 117.61 3mfu h GLU 62 Ca -0.11 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 58.73 3mfu h GLU 62 Cb 1.65 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.97 3mfu h GLU 62 CO 0.19 0.81 -0.46 0.00 -0.73 0.00 0.00 179.01 178.81 3mfu h ALA 63 N 1.22 0.41 -0.49 2.92 0.00 -1.23 -2.24 119.26 119.85 3mfu h ALA 63 Ca 0.12 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3mfu h ALA 63 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3mfu h ALA 63 CO 0.03 0.56 -0.01 1.03 0.00 0.00 0.00 179.25 180.86 3mfu h SER 64 N 0.52 0.87 -0.21 0.00 0.87 -1.07 -1.95 113.55 112.58 3mfu h SER 64 Ca 0.02 -0.31 -0.06 0.00 -1.23 0.00 0.00 61.79 60.20 3mfu h SER 64 Cb 1.07 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 3mfu h SER 64 CO 0.10 0.97 -0.11 0.40 -0.53 0.00 0.00 176.83 177.66 3mfu h ILE 65 N 0.74 1.31 -0.57 2.23 2.04 -1.28 -2.92 117.51 119.05 3mfu h ILE 65 Ca 0.14 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 3mfu h ILE 65 Cb 0.53 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3mfu h ILE 65 CO 0.03 0.36 0.13 0.00 0.00 0.00 0.00 178.15 178.67 3mfu h HIS 67 N 0.85 0.18 0.00 0.00 -0.00 -1.36 -3.12 115.15 111.71 3mfu h HIS 67 Ca 0.18 -0.02 -0.24 0.00 -0.00 0.00 0.00 60.37 60.29 3mfu h HIS 67 Cb 0.33 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.64 3mfu h HIS 67 CO 0.02 0.34 -1.43 0.00 -0.00 0.00 0.00 177.93 176.86 3mfu h MET 68 N 0.16 0.00 -5.93 5.26 -0.00 -1.26 -3.44 114.93 109.73 3mfu h MET 68 Ca 0.03 0.00 -0.58 0.00 -0.00 0.00 0.00 59.70 59.15 3mfu h MET 68 Cb 0.40 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 31.89 3mfu h MET 68 CO 0.03 0.54 0.79 -0.51 -0.00 0.00 0.00 176.91 177.76 3mfu s LEU 69 N -6.16 3.78 -0.25 -0.10 1.43 -0.77 -4.97 118.68 111.64 3mfu s LEU 69 Ca -0.03 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 3mfu s LEU 69 Cb 0.08 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.79 3mfu s LEU 69 CO 0.82 -1.61 -0.07 -0.54 0.23 0.00 0.00 176.35 175.18 3mfu s LYS 70 N 4.84 2.74 -0.12 1.70 -0.14 -1.26 -4.76 119.74 122.75 3mfu s LYS 70 Ca 0.29 -1.04 -0.23 0.00 -1.36 0.00 0.00 55.97 53.64 3mfu s LYS 70 Cb -0.12 -2.97 0.05 0.00 -1.68 0.00 0.00 37.83 33.11 3mfu s LYS 70 CO 0.14 -0.43 0.56 -1.58 -0.76 0.00 0.00 175.35 173.28 3mfu s HIS 71 N 1.29 -0.55 0.37 3.18 2.46 -1.26 -5.04 115.29 115.74 3mfu s HIS 71 Ca -0.01 1.14 0.38 0.00 0.47 0.00 0.00 55.06 57.04 3mfu s HIS 71 Cb -0.17 0.26 1.98 0.00 -0.13 0.00 0.00 32.58 34.52 3mfu s HIS 71 CO -0.05 -0.43 2.16 -1.35 -2.47 0.00 0.00 174.74 172.60 3mfu h PRO 72 N 4.15 0.00 -0.34 2.88 0.11 -1.99 -1.95 132.00 134.86 3mfu h PRO 72 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 3mfu h PRO 72 Cb 1.16 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 3mfu h PRO 72 CO 0.28 0.00 0.01 0.72 -0.21 0.00 0.00 178.00 178.80 3mfu n HIS 73 N -2.90 1.14 -4.53 0.65 8.25 -1.26 -4.88 115.22 111.68 3mfu n HIS 73 Ca -0.02 -1.16 -0.26 0.00 -0.26 0.00 0.00 57.72 56.03 3mfu n HIS 73 Cb 0.11 -0.41 -0.17 0.00 1.12 0.00 0.00 29.99 30.64 3mfu n HIS 73 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mfu s ILE 74 N -2.99 1.21 -0.12 1.59 1.01 -0.74 -0.77 121.20 120.40 3mfu s ILE 74 Ca 0.44 -0.50 -0.33 0.00 0.00 0.00 0.00 60.65 60.26 3mfu s ILE 74 Cb 0.37 -1.11 -0.10 0.00 0.01 0.00 0.00 42.46 41.63 3mfu s ILE 74 CO 0.06 0.38 1.98 0.52 0.00 0.00 0.00 174.94 177.88 3mfu n VAL 75 N 3.96 0.54 -2.79 2.92 0.31 -0.38 -4.51 118.33 118.38 3mfu n VAL 75 Ca -0.21 -0.18 -0.41 0.00 -0.01 0.00 0.00 64.34 63.53 3mfu n VAL 75 Cb 0.52 -2.02 -0.04 0.00 -0.91 0.00 0.00 33.84 31.38 3mfu n VAL 75 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3mfu s GLU 76 N 4.70 4.63 -0.19 5.55 2.12 -1.26 -4.94 118.70 129.32 3mfu s GLU 76 Ca 0.95 1.35 -0.24 0.00 0.36 0.00 0.00 54.97 57.40 3mfu s GLU 76 Cb -0.62 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 3mfu s GLU 76 CO 0.48 0.19 0.76 -1.17 -0.54 0.00 0.00 175.26 174.98 3mfu s LEU 77 N 0.15 4.15 -0.14 2.70 2.96 -1.26 -1.75 118.68 125.48 3mfu s LEU 77 Ca 0.46 1.03 -0.04 0.00 -0.22 0.00 0.00 54.13 55.36 3mfu s LEU 77 Cb -0.22 -3.11 -0.24 0.00 0.50 0.00 0.00 46.19 43.11 3mfu s LEU 77 CO 0.28 -0.38 0.27 0.18 -1.32 0.00 0.00 176.35 175.37 3mfu n LEU 78 N 5.32 2.58 -3.57 -0.68 7.99 0.21 -4.84 117.00 124.02 3mfu n LEU 78 Ca 0.03 0.15 -0.06 0.00 -0.01 0.00 0.00 56.01 56.12 3mfu n LEU 78 Cb 0.49 -1.00 -0.02 0.00 -0.11 0.00 0.00 43.42 42.78 3mfu n LEU 78 CO 0.47 0.84 0.87 -1.83 -1.51 0.00 0.00 177.39 176.23 3mfu s GLU 79 N -2.55 0.56 0.02 3.23 -1.05 -1.19 -5.04 118.70 112.69 3mfu s GLU 79 Ca -0.24 -0.22 0.04 0.00 -0.15 0.00 0.00 54.97 54.40 3mfu s GLU 79 Cb 0.07 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 3mfu s GLU 79 CO 0.74 -0.25 -0.12 0.95 0.95 0.00 0.00 175.26 177.53 3mfu s THR 80 N -2.75 0.97 0.13 1.83 -4.23 -1.26 -0.95 115.64 109.38 3mfu s THR 80 Ca 0.08 -0.82 0.11 0.00 -1.18 0.00 0.00 61.69 59.88 3mfu s THR 80 Cb -0.01 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 3mfu s THR 80 CO -0.06 0.05 -0.27 -0.31 -0.54 0.00 0.00 174.62 173.49 3mfu s TYR 81 N -0.70 2.31 -0.20 3.99 1.51 0.12 -4.97 117.35 119.41 3mfu s TYR 81 Ca 0.01 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 3mfu s TYR 81 Cb -0.07 -1.25 0.06 0.00 -0.11 0.00 0.00 41.96 40.59 3mfu s TYR 81 CO 0.01 0.34 0.01 -1.12 -1.11 0.00 0.00 175.55 173.67 3mfu s SER 82 N -2.04 3.17 -0.25 2.29 0.01 -1.26 -0.79 113.70 114.83 3mfu s SER 82 Ca 0.14 -0.92 -0.17 0.00 1.31 0.00 0.00 55.95 56.31 3mfu s SER 82 Cb -0.10 -0.76 0.07 0.00 0.21 0.00 0.00 66.02 65.44 3mfu s SER 82 CO 0.06 -0.29 0.64 -0.94 0.41 0.00 0.00 173.24 173.12 3mfu s SER 83 N 1.73 -0.79 0.00 2.44 1.04 -0.96 -4.97 113.70 112.18 3mfu s SER 83 Ca -0.02 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.76 3mfu s SER 83 Cb -0.18 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.22 3mfu s SER 83 CO -0.07 -0.23 0.00 0.47 0.98 0.00 0.00 173.24 174.39 3mfu n ASP 84 N 3.78 -2.60 -0.87 7.02 9.92 -1.26 -2.69 116.55 129.85 3mfu n ASP 84 Ca -0.18 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 53.97 3mfu n ASP 84 Cb 0.57 -0.46 -0.04 0.00 -0.64 0.00 0.00 41.12 40.55 3mfu n ASP 84 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mfu n GLY 85 N -2.75 0.94 3.34 0.44 0.00 -1.26 -5.02 105.19 100.88 3mfu n GLY 85 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 3mfu n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mfu s MET 86 N -3.20 2.26 -0.25 1.61 -1.94 -1.10 -1.97 119.30 114.72 3mfu s MET 86 Ca 0.00 -0.88 -0.08 0.00 -1.71 0.00 0.00 55.69 53.02 3mfu s MET 86 Cb 0.00 -2.13 -0.03 0.00 2.01 0.00 0.00 34.83 34.68 3mfu s MET 86 CO 0.00 0.54 0.09 -1.17 -0.01 0.00 0.00 175.02 174.47 3mfu s LEU 87 N -0.55 3.57 -0.34 -0.03 0.20 -0.11 -2.28 118.68 119.14 3mfu s LEU 87 Ca 0.08 -0.15 -0.08 0.00 0.69 0.00 0.00 54.13 54.67 3mfu s LEU 87 Cb -0.11 -1.96 0.02 0.00 -0.43 0.00 0.00 46.19 43.72 3mfu s LEU 87 CO 0.00 -0.02 0.13 -0.31 -0.29 0.00 0.00 176.35 175.87 3mfu s TYR 88 N 1.51 3.22 -0.36 5.38 1.51 0.03 -0.60 117.35 128.04 3mfu s TYR 88 Ca 0.06 -1.11 -0.11 0.00 -1.01 0.00 0.00 57.07 54.90 3mfu s TYR 88 Cb -0.15 -2.33 0.02 0.00 -0.11 0.00 0.00 41.96 39.39 3mfu s TYR 88 CO 0.05 -0.65 0.20 -1.64 -1.11 0.00 0.00 175.55 172.40 3mfu s MET 89 N 1.49 2.96 -0.42 -0.62 -1.94 0.58 -0.70 119.30 120.64 3mfu s MET 89 Ca 0.01 -0.99 -0.19 0.00 -1.71 0.00 0.00 55.69 52.81 3mfu s MET 89 Cb -0.19 -3.70 0.02 0.00 2.01 0.00 0.00 34.83 32.97 3mfu s MET 89 CO 0.04 -0.63 0.54 0.08 -0.01 0.00 0.00 175.02 175.04 3mfu s VAL 90 N 1.57 4.96 0.16 -6.03 1.01 -0.13 0.22 120.40 122.17 3mfu s VAL 90 Ca 0.03 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3mfu s VAL 90 Cb -0.19 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3mfu s VAL 90 CO 0.07 -0.48 0.13 -0.36 0.00 0.00 0.00 175.10 174.46 3mfu s PHE 91 N 2.47 3.15 0.36 5.22 0.40 0.17 0.68 117.98 130.44 3mfu s PHE 91 Ca 0.17 -0.01 -0.26 0.00 -0.60 0.00 0.00 56.93 56.23 3mfu s PHE 91 Cb -0.16 -1.52 -0.12 0.00 0.51 0.00 0.00 43.02 41.74 3mfu s PHE 91 CO 0.16 0.52 1.02 -0.85 0.70 0.00 0.00 175.22 176.77 3mfu n GLU 92 N -0.32 1.41 -2.75 0.44 0.28 -0.72 -0.89 120.64 118.10 3mfu n GLU 92 Ca -0.08 0.50 -0.42 0.00 -0.16 0.00 0.00 57.16 57.00 3mfu n GLU 92 Cb 0.55 -1.98 -0.03 0.00 1.43 0.00 0.00 31.44 31.40 3mfu n GLU 92 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3mfu s PHE 93 N -1.19 3.55 -0.35 -1.84 5.36 -1.26 -4.29 117.98 117.96 3mfu s PHE 93 Ca 0.61 1.56 -0.15 0.00 -0.96 0.00 0.00 56.93 57.98 3mfu s PHE 93 Cb -0.61 -3.12 -0.01 0.00 -0.34 0.00 0.00 43.02 38.94 3mfu s PHE 93 CO 0.59 -0.14 0.33 -1.64 -1.46 0.00 0.00 175.22 172.90 3mfu s MET 94 N 1.65 3.46 -0.10 10.12 -1.94 -1.26 -4.94 119.30 126.29 3mfu s MET 94 Ca 0.47 -0.55 0.11 0.00 -1.71 0.00 0.00 55.69 54.01 3mfu s MET 94 Cb -0.19 -3.83 0.49 0.00 2.01 0.00 0.00 34.83 33.31 3mfu s MET 94 CO 0.20 -0.55 1.31 -3.47 -0.01 0.00 0.00 175.02 172.51 3mfu n ASP 95 N 5.31 3.56 -4.43 3.03 4.64 0.39 -4.85 116.55 124.20 3mfu n ASP 95 Ca -0.10 -2.41 -0.21 0.00 -1.38 0.00 0.00 54.79 50.69 3mfu n ASP 95 Cb 0.49 -0.52 -0.10 0.00 -1.04 0.00 0.00 41.12 39.94 3mfu n ASP 95 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 3mfu s GLY 96 N -0.65 1.83 0.93 0.27 0.00 -0.83 -3.72 107.32 105.14 3mfu s GLY 96 Ca 0.34 -1.90 -0.13 0.00 0.00 0.00 0.00 44.72 43.03 3mfu s GLY 96 CO 0.14 -1.85 1.27 0.00 0.00 0.00 0.00 173.10 172.66 3mfu s ALA 97 N -2.98 2.55 0.93 3.20 0.00 -1.26 -4.47 121.76 119.72 3mfu s ALA 97 Ca 0.29 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 3mfu s ALA 97 Cb 0.03 -2.55 0.15 0.00 0.00 0.00 0.00 23.12 20.76 3mfu s ALA 97 CO 0.12 -2.33 1.11 0.16 0.00 0.00 0.00 175.76 174.82 3mfu s ASP 98 N -4.91 2.92 0.50 0.00 3.84 -1.26 -2.60 116.67 115.16 3mfu s ASP 98 Ca 0.74 1.96 0.17 0.00 -0.00 0.00 0.00 52.55 55.42 3mfu s ASP 98 Cb -0.03 -2.48 1.24 0.00 -1.38 0.00 0.00 42.92 40.27 3mfu s ASP 98 CO 0.52 -3.06 2.10 0.17 -0.00 0.00 0.00 175.17 174.89 3mfu h LEU 99 N -1.84 0.00 -0.11 2.11 8.10 -1.20 -2.27 115.31 120.10 3mfu h LEU 99 Ca -0.47 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.30 3mfu h LEU 99 Cb 1.27 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.48 3mfu h LEU 99 CO 0.46 0.07 -1.00 0.00 -4.11 0.00 0.00 178.44 173.86 3mfu h PHE 101 N 0.07 0.80 -0.06 0.00 0.04 -1.84 -3.27 116.94 112.68 3mfu h PHE 101 Ca -0.06 -0.15 -0.12 0.00 2.80 0.00 0.00 57.97 60.44 3mfu h PHE 101 Cb 1.69 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.62 3mfu h PHE 101 CO 0.03 0.82 -0.52 0.93 -0.60 0.00 0.00 178.31 178.97 3mfu h GLU 102 N 0.55 0.17 -0.68 1.51 4.39 -1.38 -2.80 114.58 116.33 3mfu h GLU 102 Ca 0.11 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.76 3mfu h GLU 102 Cb 0.52 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 3mfu h GLU 102 CO 0.03 0.65 0.40 0.82 -1.16 0.00 0.00 179.01 179.75 3mfu h ILE 103 N 0.13 1.03 -0.35 3.13 2.04 -1.32 -0.06 117.51 122.11 3mfu h ILE 103 Ca 0.00 -0.26 -0.17 0.00 1.00 0.00 0.00 64.86 65.43 3mfu h ILE 103 Cb 0.97 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3mfu h ILE 103 CO 0.08 0.14 -0.45 0.58 0.00 0.00 0.00 178.15 178.50 3mfu h VAL 104 N 0.76 1.27 -0.93 1.67 2.07 -1.58 -1.68 116.25 117.83 3mfu h VAL 104 Ca 0.29 -1.63 0.07 0.00 0.82 0.00 0.00 66.70 66.25 3mfu h VAL 104 Cb 0.11 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 3mfu h VAL 104 CO -0.15 0.54 0.59 0.11 0.02 0.00 0.00 177.57 178.68 3mfu h LYS 105 N 0.72 1.04 -0.32 1.57 1.57 -1.28 0.16 116.57 120.03 3mfu h LYS 105 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3mfu h LYS 105 Cb 1.05 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3mfu h LYS 105 CO 0.11 0.69 0.21 -0.09 -0.57 0.00 0.00 179.45 179.79 3mfu h ARG 106 N 1.07 0.43 -0.33 3.15 2.43 -0.59 0.42 114.38 120.97 3mfu h ARG 106 Ca 0.41 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.39 3mfu h ARG 106 Cb 0.18 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3mfu h ARG 106 CO -0.18 0.29 -0.44 0.00 -1.51 0.00 0.00 179.97 178.14 3mfu h ALA 107 N 1.11 0.60 -0.09 2.80 0.00 -0.94 -1.46 119.26 121.28 3mfu h ALA 107 Ca 0.12 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 3mfu h ALA 107 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mfu h ALA 107 CO -0.02 0.68 -0.44 -0.44 0.00 0.00 0.00 179.25 179.02 3mfu h ASP 108 N 0.68 0.23 0.35 0.00 3.45 -0.62 -2.29 116.42 118.22 3mfu h ASP 108 Ca 0.04 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.40 3mfu h ASP 108 Cb 1.02 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.73 3mfu h ASP 108 CO 0.10 0.65 0.00 0.00 -1.57 0.00 0.00 179.24 178.42 3mfu n ALA 109 N -2.47 1.69 0.00 3.45 0.00 0.13 -4.86 120.51 118.45 3mfu n ALA 109 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3mfu n ALA 109 Cb 0.50 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3mfu n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mfu n GLY 110 N -0.15 0.77 3.87 0.00 0.00 -0.86 -5.07 105.19 103.74 3mfu n GLY 110 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3mfu n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mfu s PHE 111 N -2.00 3.52 0.11 1.61 0.40 -0.57 -5.01 117.98 116.05 3mfu s PHE 111 Ca 0.00 0.89 -0.31 0.00 -0.60 0.00 0.00 56.93 56.90 3mfu s PHE 111 Cb 0.00 -2.25 -0.09 0.00 0.51 0.00 0.00 43.02 41.19 3mfu s PHE 111 CO 0.00 0.39 1.52 0.08 0.70 0.00 0.00 175.22 177.91 3mfu s VAL 112 N -1.60 3.02 -0.29 -0.44 1.01 -1.26 -3.92 120.40 116.91 3mfu s VAL 112 Ca 0.41 0.66 -0.05 0.00 0.00 0.00 0.00 61.98 62.99 3mfu s VAL 112 Cb -0.13 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3mfu s VAL 112 CO 0.20 0.03 0.04 -0.47 0.00 0.00 0.00 175.10 174.91 3mfu s TYR 113 N 1.60 3.14 0.35 5.22 6.14 -1.26 -4.94 117.35 127.59 3mfu s TYR 113 Ca 0.69 -1.20 0.04 0.00 0.64 0.00 0.00 57.07 57.24 3mfu s TYR 113 Cb -0.40 -2.20 -0.03 0.00 0.42 0.00 0.00 41.96 39.75 3mfu s TYR 113 CO 0.31 -0.64 0.16 -1.54 0.64 0.00 0.00 175.55 174.48 3mfu s SER 114 N 1.44 2.07 0.46 4.32 1.04 -1.26 -0.71 113.70 121.06 3mfu s SER 114 Ca 0.01 -1.62 0.11 0.00 0.48 0.00 0.00 55.95 54.94 3mfu s SER 114 Cb -0.17 0.43 1.04 0.00 0.10 0.00 0.00 66.02 67.42 3mfu s SER 114 CO 0.01 -0.91 2.09 -0.33 0.98 0.00 0.00 173.24 175.07 3mfu h GLU 115 N 2.04 0.27 -0.51 4.02 5.08 -1.68 -1.54 114.58 122.25 3mfu h GLU 115 Ca -0.33 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 3mfu h GLU 115 Cb 1.26 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3mfu h GLU 115 CO 0.53 0.20 0.23 0.00 -1.00 0.00 0.00 179.01 178.96 3mfu h ALA 116 N 1.85 0.66 0.41 3.43 0.00 -1.75 0.46 119.26 124.32 3mfu h ALA 116 Ca 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3mfu h ALA 116 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3mfu h ALA 116 CO -0.01 0.25 -0.20 0.28 0.00 0.00 0.00 179.25 179.57 3mfu h VAL 117 N 0.68 0.60 -0.98 0.00 2.07 -1.77 -2.02 116.25 114.83 3mfu h VAL 117 Ca 0.17 -0.11 0.21 0.00 0.82 0.00 0.00 66.70 67.78 3mfu h VAL 117 Cb 0.15 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 3mfu h VAL 117 CO -0.02 0.02 0.62 0.00 0.02 0.00 0.00 177.57 178.21 3mfu h ALA 118 N -0.03 1.90 -0.22 1.67 0.00 -1.14 -2.33 119.26 119.11 3mfu h ALA 118 Ca -0.06 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3mfu h ALA 118 Cb 0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3mfu h ALA 118 CO 0.09 -0.26 -0.37 1.03 0.00 0.00 0.00 179.25 179.74 3mfu h SER 119 N 0.61 0.71 -0.57 0.00 0.87 -0.77 -1.28 113.55 113.13 3mfu h SER 119 Ca 0.55 -0.53 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3mfu h SER 119 Cb 1.07 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 3mfu h SER 119 CO -0.31 1.11 0.33 -0.74 -0.53 0.00 0.00 176.83 176.68 3mfu h HIS 120 N 0.34 0.76 -0.53 2.24 2.76 -0.94 -0.35 115.15 119.44 3mfu h HIS 120 Ca 0.02 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3mfu h HIS 120 Cb 0.97 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.65 3mfu h HIS 120 CO 0.09 0.54 0.34 1.88 -1.30 0.00 0.00 177.93 179.47 3mfu h TYR 121 N 0.77 0.69 -0.57 5.26 0.99 -1.39 -2.95 116.97 119.76 3mfu h TYR 121 Ca 0.20 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.83 3mfu h TYR 121 Cb 0.01 -0.23 -0.02 0.00 1.00 0.00 0.00 36.73 37.49 3mfu h TYR 121 CO -0.02 0.46 -0.06 1.98 -0.00 0.00 0.00 178.16 180.52 3mfu h MET 122 N 0.72 1.05 -0.97 4.88 4.05 -0.95 -2.63 114.93 121.08 3mfu h MET 122 Ca 0.19 -0.36 0.01 0.00 -0.28 0.00 0.00 59.70 59.26 3mfu h MET 122 Cb -0.05 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 3mfu h MET 122 CO -0.04 1.06 0.63 -0.09 0.23 0.00 0.00 176.91 178.70 3mfu h ARG 123 N 0.94 1.29 -0.57 0.39 2.43 -1.04 -1.60 114.38 116.23 3mfu h ARG 123 Ca 0.16 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 3mfu h ARG 123 Cb 0.62 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3mfu h ARG 123 CO 0.04 0.87 0.04 1.96 -1.51 0.00 0.00 179.97 181.37 3mfu h GLN 124 N 1.33 0.96 -0.45 0.20 4.20 -1.32 0.17 115.11 120.21 3mfu h GLN 124 Ca 0.35 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 3mfu h GLN 124 Cb -0.13 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 3mfu h GLN 124 CO -0.07 0.93 -0.10 0.82 -0.67 0.00 0.00 178.83 179.74 3mfu h ILE 125 N 0.90 1.27 -0.22 2.54 2.04 -1.27 -2.53 117.51 120.24 3mfu h ILE 125 Ca 0.17 -1.20 -0.12 0.00 1.00 0.00 0.00 64.86 64.71 3mfu h ILE 125 Cb 0.47 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3mfu h ILE 125 CO 0.02 0.41 -0.37 -0.07 0.00 0.00 0.00 178.15 178.14 3mfu h LEU 126 N 0.69 0.52 -0.94 1.44 3.38 -1.05 -1.50 115.31 117.84 3mfu h LEU 126 Ca 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3mfu h LEU 126 Cb 0.63 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3mfu h LEU 126 CO 0.04 0.84 0.35 -0.33 0.09 0.00 0.00 178.44 179.44 3mfu h GLU 127 N 0.41 1.11 -0.14 1.13 5.08 -0.58 0.21 114.58 121.80 3mfu h GLU 127 Ca 0.04 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3mfu h GLU 127 Cb 0.84 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3mfu h GLU 127 CO 0.07 0.87 0.04 0.00 -1.00 0.00 0.00 179.01 178.98 3mfu h ALA 128 N 1.28 0.18 -0.50 3.43 0.00 -1.25 -2.77 119.26 119.65 3mfu h ALA 128 Ca 0.26 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3mfu h ALA 128 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3mfu h ALA 128 CO -0.03 -0.18 0.07 -0.07 0.00 0.00 0.00 179.25 179.04 3mfu h LEU 129 N 0.03 0.74 -0.89 0.00 3.38 -1.07 -1.07 115.31 116.42 3mfu h LEU 129 Ca 0.04 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3mfu h LEU 129 Cb 0.25 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3mfu h LEU 129 CO 0.00 0.76 0.59 -0.09 0.09 0.00 0.00 178.44 179.79 3mfu h ARG 130 N 0.75 1.13 -0.35 1.13 2.43 -0.56 0.22 114.38 119.14 3mfu h ARG 130 Ca 0.16 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3mfu h ARG 130 Cb 0.35 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3mfu h ARG 130 CO 0.01 0.75 -0.00 -0.92 -1.51 0.00 0.00 179.97 178.29 3mfu h TYR 131 N 1.17 0.68 -0.21 2.20 3.20 -1.18 0.30 116.97 123.12 3mfu h TYR 131 Ca 0.34 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 62.14 3mfu h TYR 131 Cb -0.07 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 37.98 3mfu h TYR 131 CO -0.01 0.73 -0.08 0.00 -1.64 0.00 0.00 178.16 177.16 3mfu h HIS 133 N -0.04 0.42 -0.79 0.00 3.86 -0.49 -0.44 115.15 117.66 3mfu h HIS 133 Ca 0.11 -0.11 0.12 0.00 -1.16 0.00 0.00 60.37 59.33 3mfu h HIS 133 Cb 0.21 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.53 3mfu h HIS 133 CO -0.25 0.69 0.52 -0.44 0.86 0.00 0.00 177.93 179.31 3mfu h ASP 134 N 0.30 0.58 -0.47 2.45 3.45 -0.77 -0.92 116.42 121.05 3mfu h ASP 134 Ca 0.03 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3mfu h ASP 134 Cb 0.80 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 3mfu h ASP 134 CO 0.06 0.33 0.00 0.59 -1.57 0.00 0.00 179.24 178.65 3mfu n ASN 135 N -4.51 2.87 -2.46 6.45 3.02 -0.60 -4.93 115.26 115.10 3mfu n ASN 135 Ca 0.14 -2.11 -0.18 0.00 -0.03 0.00 0.00 54.58 52.40 3mfu n ASN 135 Cb 0.40 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 3mfu n ASN 135 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mfu n ASN 136 N 0.84 -5.31 -4.57 6.41 3.02 -0.35 -4.91 115.26 110.38 3mfu n ASN 136 Ca 0.17 0.02 -0.34 0.00 -0.03 0.00 0.00 54.58 54.40 3mfu n ASN 136 Cb 0.49 -4.43 -0.11 0.00 -0.61 0.00 0.00 39.78 35.12 3mfu n ASN 136 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mfu s ILE 137 N -2.92 4.42 -0.08 2.41 1.01 -0.28 -0.97 121.20 124.79 3mfu s ILE 137 Ca 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 3mfu s ILE 137 Cb -0.01 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 3mfu s ILE 137 CO 0.03 0.47 0.02 0.27 0.00 0.00 0.00 174.94 175.73 3mfu s ILE 138 N 0.41 4.46 -0.02 2.92 -4.36 0.27 -3.60 121.20 121.29 3mfu s ILE 138 Ca 0.00 -0.24 -0.22 0.00 -0.26 0.00 0.00 60.65 59.94 3mfu s ILE 138 Cb -0.13 -2.91 -0.24 0.00 1.25 0.00 0.00 42.46 40.43 3mfu s ILE 138 CO 0.01 0.57 1.06 -0.74 0.24 0.00 0.00 174.94 176.08 3mfu h HIS 139 N 4.99 0.47 0.00 1.37 -0.00 -1.91 0.64 115.15 120.70 3mfu h HIS 139 Ca -0.51 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 59.60 3mfu h HIS 139 Cb 1.19 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 3mfu h HIS 139 CO 0.64 1.08 0.00 0.54 -0.00 0.00 0.00 177.93 180.20 3mfu n ARG 140 N -4.32 0.00 -2.69 5.26 1.74 -1.26 -3.00 116.66 112.39 3mfu n ARG 140 Ca -0.10 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.95 3mfu n ARG 140 Cb 0.62 -2.86 0.05 0.00 -1.02 0.00 0.00 32.46 29.25 3mfu n ARG 140 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mfu n ASP 141 N 0.00 1.93 -4.66 0.55 2.03 -1.26 -4.35 116.55 110.80 3mfu n ASP 141 Ca 0.00 -2.23 -0.42 0.00 0.52 0.00 0.00 54.79 52.66 3mfu n ASP 141 Cb 0.00 -0.46 -0.03 0.00 -0.72 0.00 0.00 41.12 39.92 3mfu n ASP 141 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3mfu s VAL 142 N -3.77 3.72 0.24 5.18 1.01 -1.26 -4.84 120.40 120.69 3mfu s VAL 142 Ca 0.30 0.87 -0.22 0.00 0.00 0.00 0.00 61.98 62.93 3mfu s VAL 142 Cb 0.33 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 33.17 3mfu s VAL 142 CO -0.04 -0.09 0.79 -1.59 0.00 0.00 0.00 175.10 174.17 3mfu s LYS 143 N 3.99 1.60 0.31 2.72 -2.85 -1.26 -4.69 119.74 119.56 3mfu s LYS 143 Ca 0.70 -0.88 0.04 0.00 -1.00 0.00 0.00 55.97 54.83 3mfu s LYS 143 Cb -0.30 0.55 0.65 0.00 -2.06 0.00 0.00 37.83 36.67 3mfu s LYS 143 CO 0.27 -0.73 1.85 -1.35 0.10 0.00 0.00 175.35 175.48 3mfu h PRO 144 N 2.00 0.86 -0.24 1.78 0.11 -1.93 -2.24 132.00 132.34 3mfu h PRO 144 Ca -0.21 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3mfu h PRO 144 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3mfu h PRO 144 CO 0.24 0.57 0.16 0.93 -0.21 0.00 0.00 178.00 179.69 3mfu h GLU 145 N 0.88 0.32 -0.08 1.05 3.07 -1.97 -1.61 114.58 116.25 3mfu h GLU 145 Ca 0.48 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 3mfu h GLU 145 Cb 0.57 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3mfu h GLU 145 CO -0.24 0.21 0.00 0.09 -1.40 0.00 0.00 179.01 177.67 3mfu n ASN 146 N -4.50 1.33 -4.06 1.42 3.02 -0.84 -4.69 115.26 106.93 3mfu n ASN 146 Ca 0.01 -1.54 -0.32 0.00 -0.03 0.00 0.00 54.58 52.69 3mfu n ASN 146 Cb 0.07 -0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.05 3mfu n ASN 146 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mfu s VAL 147 N -1.91 2.32 0.07 2.41 1.01 -0.60 -0.56 120.40 123.13 3mfu s VAL 147 Ca 0.35 -1.92 0.04 0.00 0.00 0.00 0.00 61.98 60.46 3mfu s VAL 147 Cb 0.19 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3mfu s VAL 147 CO 0.30 -0.28 -0.02 -0.76 0.00 0.00 0.00 175.10 174.34 3mfu s LEU 148 N 1.03 3.40 0.30 3.92 1.43 -0.89 -0.98 118.68 126.90 3mfu s LEU 148 Ca -0.00 -0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 52.64 3mfu s LEU 148 Cb -0.20 -2.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.83 3mfu s LEU 148 CO -0.06 0.20 1.08 -0.76 0.23 0.00 0.00 176.35 177.04 3mfu s LEU 149 N -2.11 4.48 0.29 1.79 1.02 -1.07 -1.13 118.68 121.94 3mfu s LEU 149 Ca 0.24 2.21 0.11 0.00 0.02 0.00 0.00 54.13 56.71 3mfu s LEU 149 Cb -0.12 -3.74 0.43 0.00 0.02 0.00 0.00 46.19 42.79 3mfu s LEU 149 CO 0.16 -0.20 1.65 0.00 0.02 0.00 0.00 176.35 177.98 3mfu h ALA 150 N 3.57 1.04 -2.83 4.21 0.00 -1.47 -2.22 119.26 121.57 3mfu h ALA 150 Ca -0.47 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 53.86 3mfu h ALA 150 Cb 1.21 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 3mfu h ALA 150 CO 0.66 0.71 -0.13 -1.54 0.00 0.00 0.00 179.25 178.95 3mfu s SER 151 N -6.83 -0.07 -1.35 0.00 1.04 -1.26 -0.46 113.70 104.77 3mfu s SER 151 Ca -0.01 -0.96 -0.10 0.00 0.48 0.00 0.00 55.95 55.36 3mfu s SER 151 Cb 0.13 0.58 0.12 0.00 0.10 0.00 0.00 66.02 66.95 3mfu s SER 151 CO 0.75 -1.14 2.09 0.29 0.98 0.00 0.00 173.24 176.21 3mfu n LYS 152 N -0.38 3.58 -4.02 4.02 5.02 -1.24 -4.52 118.16 120.61 3mfu n LYS 152 Ca -0.01 -3.23 -0.11 0.00 -2.02 0.00 0.00 58.31 52.94 3mfu n LYS 152 Cb 0.62 -2.96 -0.11 0.00 -0.02 0.00 0.00 35.03 32.56 3mfu n LYS 152 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mfu s GLU 153 N 0.93 0.43 0.50 1.97 2.02 -1.26 -5.05 118.70 118.24 3mfu s GLU 153 Ca 0.45 -0.70 0.28 0.00 0.02 0.00 0.00 54.97 55.02 3mfu s GLU 153 Cb 0.12 -0.09 1.28 0.00 0.10 0.00 0.00 34.13 35.55 3mfu s GLU 153 CO -0.03 -0.00 1.98 -0.91 0.02 0.00 0.00 175.26 176.31 3mfu h ASN 154 N 4.53 0.00 -0.38 -0.19 2.35 -2.02 -2.86 115.58 117.01 3mfu h ASN 154 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 3mfu h ASN 154 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3mfu h ASN 154 CO 0.42 0.14 0.00 -1.54 -1.65 0.00 0.00 177.43 174.79 3mfu n SER 155 N -3.42 3.37 -4.71 5.81 3.41 -1.26 -5.00 113.62 111.82 3mfu n SER 155 Ca -0.01 -2.27 -0.43 0.00 -0.26 0.00 0.00 58.87 55.90 3mfu n SER 155 Cb 0.32 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 3mfu n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mfu n ALA 156 N 0.41 2.43 -1.59 7.33 0.00 -1.08 -4.98 120.51 123.02 3mfu n ALA 156 Ca 0.16 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.65 3mfu n ALA 156 Cb 0.59 -2.47 0.07 0.00 0.00 0.00 0.00 19.45 17.64 3mfu n ALA 156 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mfu s PRO 157 N 0.76 2.43 0.21 0.00 0.04 -1.26 -4.72 135.00 132.45 3mfu s PRO 157 Ca 0.74 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 63.69 3mfu s PRO 157 Cb -0.54 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 3mfu s PRO 157 CO 0.37 -1.66 0.42 0.14 0.04 0.00 0.00 177.00 176.32 3mfu s VAL 158 N -1.62 5.15 0.00 -0.36 -7.23 -1.26 -1.26 120.40 113.82 3mfu s VAL 158 Ca 0.79 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.80 3mfu s VAL 158 Cb -0.34 -3.70 -0.00 0.00 0.56 0.00 0.00 36.38 32.90 3mfu s VAL 158 CO 0.41 -0.15 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.50 3mfu s LYS 159 N -3.20 0.10 0.05 4.82 1.02 -0.28 -4.68 119.74 117.57 3mfu s LYS 159 Ca 0.40 -0.09 -0.30 0.00 0.02 0.00 0.00 55.97 56.00 3mfu s LYS 159 Cb -0.11 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.09 3mfu s LYS 159 CO 0.28 0.02 0.99 -1.17 -0.92 0.00 0.00 175.35 174.55 3mfu s LEU 160 N -0.16 4.42 0.00 3.17 2.96 0.05 -2.10 118.68 127.03 3mfu s LEU 160 Ca -0.01 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 55.65 3mfu s LEU 160 Cb -0.01 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3mfu s LEU 160 CO -0.00 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.44 3mfu n GLY 161 N 2.64 4.26 3.24 7.98 0.00 0.27 -1.25 105.19 122.32 3mfu n GLY 161 Ca 0.05 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.06 3mfu n GLY 161 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mfu n ASP 162 N -2.07 -6.78 -1.93 1.61 2.03 -1.26 -4.87 116.55 103.27 3mfu n ASP 162 Ca 0.00 -0.08 -0.18 0.00 0.52 0.00 0.00 54.79 55.05 3mfu n ASP 162 Cb 0.00 -3.85 0.13 0.00 -0.72 0.00 0.00 41.12 36.68 3mfu n ASP 162 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3mfu n PHE 163 N -1.16 2.32 0.11 -0.67 3.01 -1.26 -4.62 117.46 115.20 3mfu n PHE 163 Ca -0.05 -1.56 0.02 0.00 1.01 0.00 0.00 57.45 56.88 3mfu n PHE 163 Cb 0.57 -0.80 0.38 0.00 -0.01 0.00 0.00 39.48 39.62 3mfu n PHE 163 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3mfu h GLY 164 N 1.77 0.26 -1.34 1.37 0.00 -1.91 -2.90 103.07 100.33 3mfu h GLY 164 Ca 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3mfu h GLY 164 CO 0.85 0.15 0.00 3.33 0.00 0.00 0.00 176.54 180.87 3mfu n VAL 165 N -4.27 0.43 -1.58 4.60 0.24 -1.26 -4.84 118.33 111.65 3mfu n VAL 165 Ca -0.01 -0.71 -0.37 0.00 -2.04 0.00 0.00 64.34 61.21 3mfu n VAL 165 Cb 0.27 0.95 0.07 0.00 -1.47 0.00 0.00 33.84 33.67 3mfu n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mfu n ALA 166 N 0.79 0.38 -3.09 2.33 0.00 -1.10 -4.75 120.51 115.07 3mfu n ALA 166 Ca 0.11 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 3mfu n ALA 166 Cb 0.40 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 3mfu n ALA 166 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3mfu s ILE 167 N -1.56 0.08 -0.17 0.00 2.07 0.22 -4.91 121.20 116.93 3mfu s ILE 167 Ca 0.78 -0.68 -0.20 0.00 -1.41 0.00 0.00 60.65 59.14 3mfu s ILE 167 Cb -0.38 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 3mfu s ILE 167 CO 0.45 -0.37 0.56 -1.58 -1.91 0.00 0.00 174.94 172.09 3mfu s GLN 168 N -1.33 4.25 0.43 3.50 0.74 -1.26 -0.57 119.66 125.41 3mfu s GLN 168 Ca -0.14 0.53 -0.14 0.00 0.05 0.00 0.00 55.36 55.66 3mfu s GLN 168 Cb -0.08 -3.53 -0.08 0.00 1.10 0.00 0.00 33.01 30.43 3mfu s GLN 168 CO 0.01 -0.09 0.84 -0.51 -0.55 0.00 0.00 175.29 175.00 3mfu s LEU 169 N 1.42 3.81 0.00 3.68 1.43 -0.15 -5.00 118.68 123.87 3mfu s LEU 169 Ca 0.27 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 3mfu s LEU 169 Cb -0.16 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 41.85 3mfu s LEU 169 CO 0.11 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.87 3mfu n GLY 170 N -1.19 0.97 0.40 -3.19 0.00 -1.26 -4.89 105.19 96.02 3mfu n GLY 170 Ca 0.04 -1.92 0.19 0.00 0.00 0.00 0.00 46.02 44.33 3mfu n GLY 170 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mfu h GLU 171 N 0.00 0.33 -0.25 1.61 4.57 -1.99 -1.44 114.58 117.41 3mfu h GLU 171 Ca 0.00 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 3mfu h GLU 171 Cb 0.00 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3mfu h GLU 171 CO 0.00 0.22 -0.21 0.66 -1.18 0.00 0.00 179.01 178.51 3mfu h SER 172 N 0.34 0.45 0.00 1.04 4.64 -2.04 -3.46 113.55 114.52 3mfu h SER 172 Ca 0.43 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3mfu h SER 172 Cb 1.14 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3mfu h SER 172 CO -0.14 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 3mfu n GLY 173 N -0.49 0.66 3.13 -0.77 0.00 -0.54 -5.05 105.19 102.12 3mfu n GLY 173 Ca -0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 3mfu n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mfu s LEU 174 N 0.00 2.16 0.35 0.99 1.43 -1.26 -4.27 118.68 118.09 3mfu s LEU 174 Ca 0.00 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.75 3mfu s LEU 174 Cb 0.00 -0.56 -0.07 0.00 0.03 0.00 0.00 46.19 45.59 3mfu s LEU 174 CO 0.00 0.02 -0.06 0.68 0.23 0.00 0.00 176.35 177.22 3mfu s VAL 175 N -0.83 2.10 -0.33 -1.59 -7.23 -0.21 -4.52 120.40 107.79 3mfu s VAL 175 Ca 0.01 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.05 3mfu s VAL 175 Cb -0.08 -2.72 0.15 0.00 0.56 0.00 0.00 36.38 34.29 3mfu s VAL 175 CO 0.01 -0.16 0.33 0.00 -0.31 0.00 0.00 175.10 174.97 3mfu s ALA 176 N -2.69 -0.39 0.00 1.32 0.00 -1.26 -1.87 121.76 116.87 3mfu s ALA 176 Ca 0.33 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.59 3mfu s ALA 176 Cb 0.05 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3mfu s ALA 176 CO 0.16 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.40 3mfu n GLY 177 N 4.75 2.20 0.03 0.00 0.00 -1.26 -5.05 105.19 105.86 3mfu n GLY 177 Ca 0.05 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3mfu n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mfu n GLY 178 N 5.00 0.04 3.60 -0.02 0.00 -1.26 -4.48 105.19 108.06 3mfu n GLY 178 Ca 0.00 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.78 3mfu n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfu n ARG 179 N 0.69 2.09 -4.83 1.61 1.74 -1.26 -4.98 116.66 111.72 3mfu n ARG 179 Ca 0.00 0.64 -0.27 0.00 -0.77 0.00 0.00 57.85 57.46 3mfu n ARG 179 Cb 0.00 -3.06 -0.15 0.00 -1.02 0.00 0.00 32.46 28.24 3mfu n ARG 179 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mfu s VAL 180 N 7.02 1.72 0.00 1.55 0.11 -1.26 -5.08 120.40 124.45 3mfu s VAL 180 Ca 0.99 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 3mfu s VAL 180 Cb -0.44 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.94 3mfu s VAL 180 CO 0.40 0.33 0.00 0.61 -3.33 0.00 0.00 175.10 173.10 3mfu n GLY 181 N 2.12 0.22 3.56 6.54 0.00 -1.26 -4.93 105.19 111.44 3mfu n GLY 181 Ca -0.16 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.23 3mfu n GLY 181 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mfu s THR 182 N 0.00 4.97 0.29 2.61 2.01 -1.26 -5.01 115.64 119.24 3mfu s THR 182 Ca 0.00 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.07 3mfu s THR 182 Cb 0.00 -3.34 0.32 0.00 0.01 0.00 0.00 72.50 69.49 3mfu s THR 182 CO 0.00 0.31 1.64 -0.65 -0.69 0.00 0.00 174.62 175.22 3mfu h PRO 183 N 8.09 0.17 0.00 4.92 0.11 -1.97 0.07 132.00 143.39 3mfu h PRO 183 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3mfu h PRO 183 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3mfu h PRO 183 CO 0.58 0.11 0.00 0.45 -0.21 0.00 0.00 178.00 178.93 3mfu h HIS 184 N 0.17 0.00 -0.06 0.65 3.86 -1.95 -2.99 115.15 114.84 3mfu h HIS 184 Ca 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.77 3mfu h HIS 184 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 3mfu h HIS 184 CO -0.29 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.69 3mfu n PHE 185 N -3.07 0.06 -2.28 2.45 3.01 -0.03 -4.82 117.46 112.78 3mfu n PHE 185 Ca -0.02 -0.10 -0.42 0.00 1.01 0.00 0.00 57.45 57.93 3mfu n PHE 185 Cb 0.16 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 3mfu n PHE 185 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 3mfu s MET 186 N -0.72 4.40 0.65 -1.08 -1.94 -0.94 -4.24 119.30 115.43 3mfu s MET 186 Ca 0.11 1.96 -0.16 0.00 -1.71 0.00 0.00 55.69 55.89 3mfu s MET 186 Cb 0.07 -3.25 -0.00 0.00 2.01 0.00 0.00 34.83 33.65 3mfu s MET 186 CO 0.10 -0.28 1.13 0.00 -0.01 0.00 0.00 175.02 175.96 3mfu s ALA 187 N 0.60 2.45 0.38 3.03 0.00 -1.26 -4.81 121.76 122.15 3mfu s ALA 187 Ca 0.59 0.64 0.05 0.00 0.00 0.00 0.00 51.96 53.25 3mfu s ALA 187 Cb -0.34 -3.35 0.76 0.00 0.00 0.00 0.00 23.12 20.19 3mfu s ALA 187 CO 0.33 -1.28 2.02 -1.00 0.00 0.00 0.00 175.76 175.82 3mfu h PRO 188 N 0.17 0.68 0.00 0.00 0.13 -1.88 -1.13 132.00 129.98 3mfu h PRO 188 Ca -0.47 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 3mfu h PRO 188 Cb 1.26 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3mfu h PRO 188 CO 0.54 0.45 -0.38 1.05 -0.23 0.00 0.00 178.00 179.43 3mfu h GLU 189 N 0.70 0.00 -0.11 0.86 9.09 -1.92 -0.32 114.58 122.90 3mfu h GLU 189 Ca 0.22 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.53 3mfu h GLU 189 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 3mfu h GLU 189 CO -0.06 0.38 -0.35 0.28 0.05 0.00 0.00 179.01 179.31 3mfu h VAL 190 N 0.00 1.39 -0.91 -1.06 2.07 -1.53 -1.21 116.25 115.00 3mfu h VAL 190 Ca -0.00 -1.68 0.04 0.00 0.82 0.00 0.00 66.70 65.87 3mfu h VAL 190 Cb 0.75 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.63 3mfu h VAL 190 CO 0.05 0.49 0.59 0.58 0.02 0.00 0.00 177.57 179.30 3mfu h VAL 191 N -0.01 1.15 0.00 2.57 2.07 -1.09 -2.35 116.25 118.59 3mfu h VAL 191 Ca -0.01 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3mfu h VAL 191 Cb 0.97 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3mfu h VAL 191 CO 0.07 0.21 0.00 0.29 0.02 0.00 0.00 177.57 178.16 3mfu n LYS 192 N -4.52 0.44 -2.64 1.57 5.02 -0.15 -4.89 118.16 113.00 3mfu n LYS 192 Ca 0.12 0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.24 3mfu n LYS 192 Cb 0.10 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 3mfu n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3mfu n ARG 193 N -1.24 -2.96 -2.15 1.97 1.74 -0.88 -5.01 116.66 108.13 3mfu n ARG 193 Ca 0.13 0.95 -0.28 0.00 -0.77 0.00 0.00 57.85 57.88 3mfu n ARG 193 Cb 0.18 -5.65 0.04 0.00 -1.02 0.00 0.00 32.46 26.01 3mfu n ARG 193 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3mfu s GLU 194 N -5.29 2.89 0.58 5.56 2.02 -0.48 -4.55 118.70 119.44 3mfu s GLU 194 Ca 0.12 0.22 -0.19 0.00 0.02 0.00 0.00 54.97 55.14 3mfu s GLU 194 Cb -0.05 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 3mfu s GLU 194 CO 0.15 -0.86 1.21 -2.14 0.02 0.00 0.00 175.26 173.65 3mfu s PRO 195 N -5.17 3.04 0.24 0.39 0.02 -1.26 -4.69 135.00 127.56 3mfu s PRO 195 Ca 0.56 1.84 -0.17 0.00 0.02 0.00 0.00 61.00 63.25 3mfu s PRO 195 Cb -0.11 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.45 3mfu s PRO 195 CO 0.48 -1.16 0.56 1.52 -0.33 0.00 0.00 177.00 178.08 3mfu s TYR 196 N -1.58 0.04 0.00 6.54 -0.85 -0.78 -4.93 117.35 115.79 3mfu s TYR 196 Ca 0.76 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.89 3mfu s TYR 196 Cb -0.31 0.41 0.00 0.00 0.38 0.00 0.00 41.96 42.44 3mfu s TYR 196 CO 0.33 -1.04 0.00 0.41 -1.52 0.00 0.00 175.55 173.73 3mfu n GLY 197 N -0.39 3.77 0.38 5.49 0.00 -1.26 -1.04 105.19 112.13 3mfu n GLY 197 Ca -0.05 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.92 3mfu n GLY 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfu h LYS 198 N 0.00 0.58 0.00 1.61 1.57 -1.97 -2.42 116.57 115.94 3mfu h LYS 198 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3mfu h LYS 198 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3mfu h LYS 198 CO 0.00 0.38 0.00 -1.35 -0.57 0.00 0.00 179.45 177.91 3mfu h PRO 199 N 0.59 0.00 -0.03 3.15 0.11 -1.94 -2.18 132.00 131.70 3mfu h PRO 199 Ca 0.43 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.45 3mfu h PRO 199 Cb 0.81 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3mfu h PRO 199 CO -0.19 0.00 -0.42 -0.39 -0.21 0.00 0.00 178.00 176.80 3mfu h VAL 200 N 0.00 1.31 -0.00 3.15 -1.51 -1.85 -1.77 116.25 115.58 3mfu h VAL 200 Ca 0.00 -1.47 -0.15 0.00 -1.23 0.00 0.00 66.70 63.85 3mfu h VAL 200 Cb 0.01 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 30.91 3mfu h VAL 200 CO 0.00 0.43 -0.71 0.44 -1.23 0.00 0.00 177.57 176.50 3mfu h ASP 201 N 0.06 0.03 -0.17 4.19 3.32 -1.60 -1.78 116.42 120.46 3mfu h ASP 201 Ca 0.00 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 3mfu h ASP 201 Cb 0.77 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3mfu h ASP 201 CO 0.06 0.72 -0.45 0.58 -1.72 0.00 0.00 179.24 178.43 3mfu h VAL 202 N 0.01 1.33 0.07 -1.35 2.07 -1.58 -1.64 116.25 115.16 3mfu h VAL 202 Ca -0.01 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 65.83 3mfu h VAL 202 Cb 1.25 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 3mfu h VAL 202 CO 0.09 0.53 -0.30 -0.25 0.02 0.00 0.00 177.57 177.66 3mfu h TRP 203 N 0.28 -0.80 -0.90 1.57 2.91 -1.27 0.10 115.95 117.83 3mfu h TRP 203 Ca -0.01 0.02 0.19 0.00 1.13 0.00 0.00 58.89 60.23 3mfu h TRP 203 Cb 1.07 0.34 -0.11 0.00 -0.51 0.00 0.00 29.16 29.95 3mfu h TRP 203 CO 0.10 -0.40 0.45 0.78 -1.03 0.00 0.00 178.44 178.34 3mfu h GLY 204 N -0.48 1.54 1.26 2.65 0.00 -1.29 0.31 103.07 107.06 3mfu h GLY 204 Ca 0.04 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 3mfu h GLY 204 CO -0.21 -0.16 0.10 0.00 0.00 0.00 0.00 176.54 176.28 3mfu h GLY 206 N 1.01 0.53 1.09 0.00 0.00 0.12 0.99 103.07 106.81 3mfu h GLY 206 Ca 0.18 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 3mfu h GLY 206 CO 0.01 0.31 -0.33 -2.08 0.00 0.00 0.00 176.54 174.44 3mfu h VAL 207 N 0.47 1.28 -0.29 4.60 2.07 -0.93 -1.97 116.25 121.47 3mfu h VAL 207 Ca 0.10 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 3mfu h VAL 207 Cb 0.38 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3mfu h VAL 207 CO 0.02 0.50 0.14 0.40 0.02 0.00 0.00 177.57 178.65 3mfu h ILE 208 N 0.71 1.15 -0.66 4.57 2.04 -0.89 -2.05 117.51 122.38 3mfu h ILE 208 Ca 0.07 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.57 3mfu h ILE 208 Cb 0.92 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 3mfu h ILE 208 CO 0.09 0.15 0.38 0.25 0.00 0.00 0.00 178.15 179.01 3mfu h LEU 209 N 0.34 0.58 -0.21 1.44 5.85 -0.77 0.20 115.31 122.73 3mfu h LEU 209 Ca 0.10 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3mfu h LEU 209 Cb 0.10 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3mfu h LEU 209 CO -0.01 0.39 -0.09 0.15 -0.34 0.00 0.00 178.44 178.54 3mfu h PHE 210 N 0.72 -0.20 -0.64 1.25 3.04 -1.17 0.16 116.94 120.10 3mfu h PHE 210 Ca 0.29 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.29 3mfu h PHE 210 Cb 0.14 0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.73 3mfu h PHE 210 CO -0.07 -0.14 0.38 0.82 -2.02 0.00 0.00 178.31 177.29 3mfu h ILE 211 N -0.05 1.06 -0.83 1.41 2.04 -0.91 -1.72 117.51 118.51 3mfu h ILE 211 Ca 0.11 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3mfu h ILE 211 Cb 0.22 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3mfu h ILE 211 CO -0.25 0.14 0.36 -0.07 0.00 0.00 0.00 178.15 178.33 3mfu h LEU 212 N 0.75 1.11 -0.20 1.44 3.38 0.05 0.39 115.31 122.24 3mfu h LEU 212 Ca 0.26 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3mfu h LEU 212 Cb 0.05 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3mfu h LEU 212 CO -0.12 0.96 -0.60 -0.07 0.09 0.00 0.00 178.44 178.70 3mfu h LEU 213 N 1.19 0.00 0.00 1.67 3.38 -0.88 -3.41 115.31 117.26 3mfu h LEU 213 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3mfu h LEU 213 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3mfu h LEU 213 CO -0.03 0.60 -0.28 -1.54 0.09 0.00 0.00 178.44 177.29 3mfu n SER 214 N -3.33 1.40 0.00 -0.43 3.41 -0.66 -4.78 113.62 109.23 3mfu n SER 214 Ca 0.01 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3mfu n SER 214 Cb 0.74 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 3mfu n SER 214 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mfu n GLY 215 N 0.76 2.64 3.95 5.00 0.00 0.14 -4.51 105.19 113.16 3mfu n GLY 215 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3mfu n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfu s LEU 217 N -3.64 4.47 0.35 0.00 1.43 -1.26 -3.27 118.68 116.76 3mfu s LEU 217 Ca 0.34 1.33 0.13 0.00 -1.03 0.00 0.00 54.13 54.90 3mfu s LEU 217 Cb -0.10 -3.06 0.66 0.00 0.03 0.00 0.00 46.19 43.72 3mfu s LEU 217 CO 0.28 0.13 1.78 1.55 0.23 0.00 0.00 176.35 180.32 3mfu h PRO 218 N 5.24 0.00 -4.30 1.29 0.13 -1.93 -3.44 132.00 128.99 3mfu h PRO 218 Ca -0.46 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.27 3mfu h PRO 218 Cb 1.21 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.02 3mfu h PRO 218 CO 0.68 0.42 -0.77 -0.06 -0.23 0.00 0.00 178.00 178.04 3mfu s PHE 219 N -4.06 0.76 0.21 1.56 0.08 -1.26 -4.45 117.98 110.82 3mfu s PHE 219 Ca -0.02 -0.19 -0.23 0.00 0.12 0.00 0.00 56.93 56.61 3mfu s PHE 219 Cb 0.14 -0.59 0.05 0.00 -0.57 0.00 0.00 43.02 42.05 3mfu s PHE 219 CO 0.73 -0.11 0.90 1.52 -0.10 0.00 0.00 175.22 178.15 3mfu s TYR 220 N 0.41 -0.10 0.00 0.36 -0.85 -1.26 -4.93 117.35 110.98 3mfu s TYR 220 Ca -0.06 -0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.21 3mfu s TYR 220 Cb -0.10 0.68 0.00 0.00 0.38 0.00 0.00 41.96 42.92 3mfu s TYR 220 CO 0.00 -1.00 0.00 0.41 -1.52 0.00 0.00 175.55 173.44 3mfu n GLY 221 N -0.50 0.03 3.65 5.49 0.00 -1.26 -3.96 105.19 108.64 3mfu n GLY 221 Ca -0.05 -2.27 -0.28 0.00 0.00 0.00 0.00 46.02 43.41 3mfu n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mfu s THR 222 N 0.00 1.99 0.27 2.61 -4.23 -1.26 -4.57 115.64 110.45 3mfu s THR 222 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 3mfu s THR 222 Cb 0.00 -2.44 0.26 0.00 1.34 0.00 0.00 72.50 71.65 3mfu s THR 222 CO 0.00 0.00 1.78 0.11 -0.54 0.00 0.00 174.62 175.97 3mfu h LYS 223 N -2.04 0.69 0.01 3.99 1.57 -1.98 0.49 116.57 119.30 3mfu h LYS 223 Ca -0.56 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 57.91 3mfu h LYS 223 Cb 1.33 -0.16 0.02 0.00 0.08 0.00 0.00 32.23 33.51 3mfu h LYS 223 CO 0.57 0.46 -1.06 0.93 -0.57 0.00 0.00 179.45 179.78 3mfu h GLU 224 N 0.72 0.69 -0.29 3.15 4.39 -1.99 -2.13 114.58 119.12 3mfu h GLU 224 Ca 0.49 -0.76 -0.10 0.00 0.34 0.00 0.00 59.36 59.33 3mfu h GLU 224 Cb 0.66 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 3mfu h GLU 224 CO -0.35 1.33 -0.26 -0.09 -1.16 0.00 0.00 179.01 178.49 3mfu h ARG 225 N 0.39 0.57 0.34 2.33 9.65 -1.82 0.18 114.38 126.03 3mfu h ARG 225 Ca -0.13 -0.23 -0.02 0.00 -1.10 0.00 0.00 59.98 58.50 3mfu h ARG 225 Cb 1.71 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.27 3mfu h ARG 225 CO 0.21 0.78 -0.17 1.25 2.80 0.00 0.00 179.97 184.84 3mfu h LEU 226 N 0.50 -0.39 -0.65 3.80 5.85 -0.98 -1.81 115.31 121.62 3mfu h LEU 226 Ca 0.07 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3mfu h LEU 226 Cb 0.71 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3mfu h LEU 226 CO 0.05 -0.21 0.18 -0.26 -0.34 0.00 0.00 178.44 177.86 3mfu h PHE 227 N -0.54 1.08 -0.83 1.25 0.05 -1.12 -1.50 116.94 115.31 3mfu h PHE 227 Ca -0.05 -0.12 0.07 0.00 3.82 0.00 0.00 57.97 61.69 3mfu h PHE 227 Cb 0.41 -0.31 -0.06 0.00 2.00 0.00 0.00 35.95 37.99 3mfu h PHE 227 CO -0.03 0.88 0.50 0.93 -0.18 0.00 0.00 178.31 180.41 3mfu h GLU 228 N 0.96 0.87 -0.23 1.51 5.08 -0.68 -2.25 114.58 119.83 3mfu h GLU 228 Ca 0.21 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3mfu h GLU 228 Cb 0.33 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3mfu h GLU 228 CO -0.00 0.58 0.14 0.78 -1.00 0.00 0.00 179.01 179.50 3mfu h GLY 229 N 0.90 0.34 0.93 -3.84 0.00 -0.57 -1.07 103.07 99.77 3mfu h GLY 229 Ca 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 3mfu h GLY 229 CO -0.19 0.14 0.15 -2.22 0.00 0.00 0.00 176.54 174.42 3mfu h ILE 230 N 0.28 1.17 -0.61 2.60 2.04 -1.15 0.62 117.51 122.46 3mfu h ILE 230 Ca 0.08 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.46 3mfu h ILE 230 Cb 0.04 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3mfu h ILE 230 CO -0.01 0.18 0.39 0.40 0.00 0.00 0.00 178.15 179.11 3mfu h ILE 231 N 0.39 1.12 0.00 -0.67 2.04 -1.34 -1.87 117.51 117.18 3mfu h ILE 231 Ca 0.11 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 3mfu h ILE 231 Cb 0.14 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3mfu h ILE 231 CO -0.01 0.14 -0.34 0.11 0.00 0.00 0.00 178.15 178.06 3mfu h LYS 232 N 0.79 0.00 0.00 2.37 6.56 -0.95 -3.47 116.57 121.87 3mfu h LYS 232 Ca 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 3mfu h LYS 232 Cb -0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 3mfu h LYS 232 CO -0.07 0.34 0.00 0.41 -2.06 0.00 0.00 179.45 178.06 3mfu n GLY 233 N -0.17 0.39 3.61 3.86 0.00 0.19 -4.99 105.19 108.08 3mfu n GLY 233 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3mfu n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfu s LYS 234 N -0.64 3.95 0.34 1.61 1.02 -1.25 -4.91 119.74 119.86 3mfu s LYS 234 Ca 0.00 -0.34 0.08 0.00 0.02 0.00 0.00 55.97 55.73 3mfu s LYS 234 Cb 0.00 -3.41 -0.07 0.00 -0.52 0.00 0.00 37.83 33.84 3mfu s LYS 234 CO 0.00 0.06 -0.06 1.52 -0.92 0.00 0.00 175.35 175.95 3mfu s TYR 235 N 1.00 2.28 -0.13 3.18 1.13 -1.26 -4.93 117.35 118.62 3mfu s TYR 235 Ca 0.06 -0.61 -0.01 0.00 -1.41 0.00 0.00 57.07 55.10 3mfu s TYR 235 Cb -0.14 -1.38 -0.02 0.00 -1.10 0.00 0.00 41.96 39.33 3mfu s TYR 235 CO 0.04 0.45 -0.11 0.15 -2.51 0.00 0.00 175.55 173.56 3mfu s LYS 236 N -3.67 3.36 -1.00 -3.49 1.02 -1.26 -5.05 119.74 109.64 3mfu s LYS 236 Ca 0.32 -0.65 -0.09 0.00 0.02 0.00 0.00 55.97 55.58 3mfu s LYS 236 Cb 0.04 -2.67 0.25 0.00 -0.52 0.00 0.00 37.83 34.94 3mfu s LYS 236 CO 0.16 0.27 0.96 -1.64 -0.92 0.00 0.00 175.35 174.17 3mfu s MET 237 N 0.23 3.87 -0.40 1.68 -1.94 -1.26 -4.96 119.30 116.52 3mfu s MET 237 Ca -0.07 -3.03 -0.41 0.00 -1.71 0.00 0.00 55.69 50.47 3mfu s MET 237 Cb -0.15 -4.41 -0.16 0.00 2.01 0.00 0.00 34.83 32.12 3mfu s MET 237 CO 0.05 -1.25 1.99 -1.71 -0.01 0.00 0.00 175.02 174.09 3mfu n ASN 238 N 2.97 1.62 -0.29 3.03 2.85 -1.26 -4.76 115.26 119.42 3mfu n ASN 238 Ca 0.21 0.76 0.17 0.00 -0.11 0.00 0.00 54.58 55.61 3mfu n ASN 238 Cb 0.41 -1.06 0.45 0.00 1.24 0.00 0.00 39.78 40.81 3mfu n ASN 238 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mfu h PRO 239 N 9.10 0.51 -0.91 1.20 0.11 -1.95 -1.19 132.00 138.87 3mfu h PRO 239 Ca -0.28 -0.03 0.26 0.00 0.11 0.00 0.00 66.00 66.05 3mfu h PRO 239 Cb 1.36 -0.12 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 3mfu h PRO 239 CO 1.02 0.34 0.31 -0.09 -0.21 0.00 0.00 178.00 179.38 3mfu h ARG 240 N 0.53 0.22 0.00 1.05 2.43 -2.01 -1.73 114.38 114.88 3mfu h ARG 240 Ca 0.52 -0.01 -0.43 0.00 -0.81 0.00 0.00 59.98 59.24 3mfu h ARG 240 Cb 1.12 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.55 3mfu h ARG 240 CO -0.25 0.15 -2.43 1.04 -1.51 0.00 0.00 179.97 176.96 3mfu n GLN 241 N -5.19 0.61 0.12 0.20 3.00 -0.94 -4.70 117.38 110.47 3mfu n GLN 241 Ca 0.24 0.26 0.12 0.00 -0.01 0.00 0.00 57.00 57.60 3mfu n GLN 241 Cb 0.76 -1.52 0.47 0.00 0.00 0.00 0.00 30.24 29.95 3mfu n GLN 241 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 3mfu n TRP 242 N -4.02 0.74 0.46 1.08 7.02 -0.49 -2.95 117.44 119.27 3mfu n TRP 242 Ca -0.51 0.28 0.12 0.00 -1.02 0.00 0.00 57.50 56.38 3mfu n TRP 242 Cb 0.90 -0.96 0.47 0.00 -2.42 0.00 0.00 31.31 29.30 3mfu n TRP 242 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3mfu n SER 243 N -2.17 0.71 -0.01 -0.99 3.41 -0.65 -2.16 113.62 111.77 3mfu n SER 243 Ca 0.02 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 3mfu n SER 243 Cb 0.24 -0.81 0.15 0.00 -0.26 0.00 0.00 64.21 63.53 3mfu n SER 243 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3mfu n HIS 244 N -2.25 0.00 -3.08 7.33 8.25 -1.15 -4.94 115.22 119.37 3mfu n HIS 244 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 3mfu n HIS 244 Cb 0.29 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 3mfu n HIS 244 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mfu s ILE 245 N -2.99 4.66 0.73 1.59 -1.09 -0.92 -5.05 121.20 118.14 3mfu s ILE 245 Ca 0.10 1.50 -0.15 0.00 -2.23 0.00 0.00 60.65 59.87 3mfu s ILE 245 Cb 0.17 -4.04 0.04 0.00 -1.58 0.00 0.00 42.46 37.05 3mfu s ILE 245 CO 0.74 0.46 1.18 -0.94 -1.23 0.00 0.00 174.94 175.15 3mfu s SER 246 N -0.61 4.28 0.22 3.58 1.04 -1.26 -4.90 113.70 116.05 3mfu s SER 246 Ca 0.34 2.27 -0.09 0.00 0.48 0.00 0.00 55.95 58.95 3mfu s SER 246 Cb -0.21 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.52 3mfu s SER 246 CO 0.22 -2.20 1.89 -0.33 0.98 0.00 0.00 173.24 173.80 3mfu h GLU 247 N -0.36 1.10 -0.71 4.02 4.39 -1.96 -2.51 114.58 118.55 3mfu h GLU 247 Ca -0.47 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.18 3mfu h GLU 247 Cb 1.28 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.65 3mfu h GLU 247 CO 0.50 0.73 0.46 1.03 -1.16 0.00 0.00 179.01 180.57 3mfu h SER 248 N 1.12 0.77 -0.56 1.42 0.87 -1.92 0.60 113.55 115.86 3mfu h SER 248 Ca 0.30 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3mfu h SER 248 Cb -0.12 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.64 3mfu h SER 248 CO -0.06 0.54 0.28 0.00 -0.53 0.00 0.00 176.83 177.06 3mfu h ALA 249 N 1.28 0.72 -0.59 6.23 0.00 -1.83 -2.21 119.26 122.86 3mfu h ALA 249 Ca 0.27 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3mfu h ALA 249 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3mfu h ALA 249 CO -0.09 0.26 0.06 0.87 0.00 0.00 0.00 179.25 180.36 3mfu h LYS 250 N 0.75 1.00 -0.63 0.00 1.57 -0.94 -1.45 116.57 116.87 3mfu h LYS 250 Ca 0.19 -0.29 0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3mfu h LYS 250 Cb 0.09 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 3mfu h LYS 250 CO -0.03 0.96 0.26 0.22 -0.57 0.00 0.00 179.45 180.29 3mfu h ASP 251 N 0.89 0.29 -0.29 0.86 1.82 0.33 -1.75 116.42 118.57 3mfu h ASP 251 Ca 0.17 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 3mfu h ASP 251 Cb 0.47 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 3mfu h ASP 251 CO 0.02 0.17 0.15 0.25 -1.61 0.00 0.00 179.24 178.22 3mfu h LEU 252 N 0.46 0.37 -0.57 2.28 6.46 -0.89 -1.97 115.31 121.46 3mfu h LEU 252 Ca 0.31 -0.10 0.10 0.00 -0.12 0.00 0.00 57.88 58.08 3mfu h LEU 252 Cb 0.37 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 40.12 3mfu h LEU 252 CO -0.29 0.37 0.12 0.58 -0.62 0.00 0.00 178.44 178.59 3mfu h VAL 253 N 0.35 0.66 -0.51 1.05 2.07 -1.01 -0.89 116.25 117.96 3mfu h VAL 253 Ca 0.10 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 3mfu h VAL 253 Cb 0.09 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3mfu h VAL 253 CO -0.02 0.05 -0.04 0.03 0.02 0.00 0.00 177.57 177.61 3mfu h ARG 254 N 0.25 0.94 -0.36 1.57 3.08 -1.16 -1.04 114.38 117.66 3mfu h ARG 254 Ca 0.29 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3mfu h ARG 254 Cb 0.43 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3mfu h ARG 254 CO -0.38 0.98 -0.03 0.00 -1.07 0.00 0.00 179.97 179.47 3mfu h ARG 255 N 0.80 0.58 0.00 0.04 3.08 -0.94 -2.66 114.38 115.28 3mfu h ARG 255 Ca 0.14 -0.14 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 3mfu h ARG 255 Cb 0.58 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3mfu h ARG 255 CO 0.03 0.62 -0.85 0.52 -1.07 0.00 0.00 179.97 179.23 3mfu h MET 256 N 0.54 0.03 -0.83 0.04 2.86 -0.96 -2.50 114.93 114.12 3mfu h MET 256 Ca 0.11 -0.03 -0.36 0.00 -2.06 0.00 0.00 59.70 57.36 3mfu h MET 256 Cb 0.39 0.01 -0.21 0.00 0.06 0.00 0.00 31.60 31.85 3mfu h MET 256 CO 0.02 0.86 0.43 1.28 1.06 0.00 0.00 176.91 180.55 3mfu n LEU 257 N -3.56 6.22 -4.72 1.22 4.77 -0.41 -3.85 117.00 116.67 3mfu n LEU 257 Ca -0.01 -3.46 -0.42 0.00 -0.03 0.00 0.00 56.01 52.09 3mfu n LEU 257 Cb 0.80 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3mfu n LEU 257 CO 0.45 0.96 1.37 -0.04 -1.33 0.00 0.00 177.39 178.80 3mfu s MET 258 N -3.16 4.13 0.11 3.23 -1.94 -1.02 -4.92 119.30 115.73 3mfu s MET 258 Ca 0.55 2.58 -0.20 0.00 -1.71 0.00 0.00 55.69 56.91 3mfu s MET 258 Cb 0.46 -3.12 -0.08 0.00 2.01 0.00 0.00 34.83 34.10 3mfu s MET 258 CO 0.11 -0.74 1.76 1.25 -0.01 0.00 0.00 175.02 177.39 3mfu h LEU 259 N 6.92 0.14 -8.83 -0.03 6.46 -1.91 -3.39 115.31 114.67 3mfu h LEU 259 Ca -0.43 0.00 -0.58 0.00 -0.12 0.00 0.00 57.88 56.75 3mfu h LEU 259 Cb 1.20 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 41.03 3mfu h LEU 259 CO 0.95 0.10 0.78 -0.62 -0.62 0.00 0.00 178.44 179.03 3mfu s ASP 260 N -5.31 6.73 0.51 1.25 -1.08 -1.26 -4.83 116.67 112.69 3mfu s ASP 260 Ca -0.13 0.67 0.22 0.00 -0.52 0.00 0.00 52.55 52.79 3mfu s ASP 260 Cb 0.08 -2.51 1.36 0.00 -1.46 0.00 0.00 42.92 40.39 3mfu s ASP 260 CO 0.68 -1.00 2.10 1.55 0.52 0.00 0.00 175.17 179.02 3mfu h PRO 261 N 8.62 0.00 0.00 4.34 0.13 -1.97 0.10 132.00 143.22 3mfu h PRO 261 Ca -0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 3mfu h PRO 261 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3mfu h PRO 261 CO 1.05 0.10 -0.17 0.00 -0.23 0.00 0.00 178.00 178.74 3mfu h ALA 262 N 1.90 1.67 0.00 -0.56 0.00 -1.94 -3.02 119.26 117.31 3mfu h ALA 262 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3mfu h ALA 262 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3mfu h ALA 262 CO 0.01 0.22 -1.10 0.39 0.00 0.00 0.00 179.25 178.76 3mfu n GLU 263 N -4.27 0.07 -1.78 0.00 -0.58 0.24 -4.97 120.64 109.35 3mfu n GLU 263 Ca -0.02 -0.02 -0.41 0.00 -0.42 0.00 0.00 57.16 56.29 3mfu n GLU 263 Cb 0.24 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3mfu n GLU 263 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3mfu n ARG 264 N -1.58 2.65 -1.71 3.49 0.63 -0.51 -4.96 116.66 114.67 3mfu n ARG 264 Ca 0.03 0.93 -0.42 0.00 -0.92 0.00 0.00 57.85 57.47 3mfu n ARG 264 Cb 0.36 -2.68 -0.01 0.00 0.45 0.00 0.00 32.46 30.58 3mfu n ARG 264 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 3mfu n ILE 265 N 0.35 1.98 -2.07 5.15 3.06 -0.94 -5.01 119.36 121.89 3mfu n ILE 265 Ca 0.02 -0.50 -0.27 0.00 -2.50 0.00 0.00 62.75 59.50 3mfu n ILE 265 Cb 0.39 -1.61 0.09 0.00 0.54 0.00 0.00 39.64 39.06 3mfu n ILE 265 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3mfu s THR 266 N -1.08 2.13 0.30 9.51 -4.23 -1.26 -4.87 115.64 116.14 3mfu s THR 266 Ca 0.55 -0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.91 3mfu s THR 266 Cb -0.56 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 70.50 3mfu s THR 266 CO 0.62 0.00 1.90 0.58 -0.54 0.00 0.00 174.62 177.19 3mfu h VAL 267 N -0.88 1.21 -0.38 2.29 2.07 -1.94 -0.27 116.25 118.34 3mfu h VAL 267 Ca -0.45 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 3mfu h VAL 267 Cb 1.31 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3mfu h VAL 267 CO 0.60 0.24 -0.10 1.88 0.02 0.00 0.00 177.57 180.21 3mfu h TYR 268 N 0.90 0.83 -0.43 1.57 -1.99 -1.93 -1.85 116.97 114.06 3mfu h TYR 268 Ca 0.22 -0.18 -0.10 0.00 2.00 0.00 0.00 58.73 60.67 3mfu h TYR 268 Cb 0.10 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 3mfu h TYR 268 CO 0.01 0.88 -0.12 0.93 -0.00 0.00 0.00 178.16 179.86 3mfu h GLU 269 N 0.54 0.84 -0.25 4.88 5.08 -1.92 -3.08 114.58 120.68 3mfu h GLU 269 Ca 0.10 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3mfu h GLU 269 Cb 0.62 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3mfu h GLU 269 CO 0.04 0.96 0.05 0.00 -1.00 0.00 0.00 179.01 179.06 3mfu h ALA 270 N 0.85 0.26 -0.11 3.43 0.00 -0.89 -0.66 119.26 122.14 3mfu h ALA 270 Ca 0.11 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3mfu h ALA 270 Cb 0.66 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3mfu h ALA 270 CO 0.05 -0.36 0.15 -0.07 0.00 0.00 0.00 179.25 179.01 3mfu h LEU 271 N 0.15 0.00 0.00 0.00 3.38 -1.40 0.25 115.31 117.70 3mfu h LEU 271 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3mfu h LEU 271 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3mfu h LEU 271 CO -0.14 0.00 -0.47 -3.20 0.09 0.00 0.00 178.44 174.71 3mfu n ASN 272 N -3.63 0.47 -4.75 -0.43 5.15 -0.34 -3.84 115.26 107.88 3mfu n ASN 272 Ca -0.00 -0.20 -0.42 0.00 -0.60 0.00 0.00 54.58 53.36 3mfu n ASN 272 Cb 0.25 0.20 -0.02 0.00 -0.53 0.00 0.00 39.78 39.68 3mfu n ASN 272 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3mfu s HIS 273 N -3.00 2.73 0.37 1.20 2.46 0.08 -4.71 115.29 114.41 3mfu s HIS 273 Ca 0.11 0.72 0.12 0.00 0.47 0.00 0.00 55.06 56.48 3mfu s HIS 273 Cb 0.18 -4.10 0.91 0.00 -0.13 0.00 0.00 32.58 29.43 3mfu s HIS 273 CO 0.69 -3.75 1.84 -1.35 -2.47 0.00 0.00 174.74 169.71 3mfu h PRO 274 N 4.97 0.58 0.00 2.88 0.11 -1.91 0.26 132.00 138.89 3mfu h PRO 274 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3mfu h PRO 274 Cb 1.22 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3mfu h PRO 274 CO 0.81 0.38 -0.15 2.35 -0.21 0.00 0.00 178.00 181.18 3mfu h TRP 275 N 0.60 0.00 0.03 0.65 7.01 -1.88 0.17 115.95 122.52 3mfu h TRP 275 Ca 0.49 0.00 -0.35 0.00 2.11 0.00 0.00 58.89 61.14 3mfu h TRP 275 Cb 0.94 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.96 3mfu h TRP 275 CO -0.00 0.15 -1.93 1.28 -2.79 0.00 0.00 178.44 175.15 3mfu n LEU 276 N -4.35 2.19 0.10 0.65 4.77 -0.10 -4.05 117.00 116.22 3mfu n LEU 276 Ca -0.03 0.28 -0.04 0.00 -0.03 0.00 0.00 56.01 56.20 3mfu n LEU 276 Cb 0.22 -0.95 0.11 0.00 -2.33 0.00 0.00 43.42 40.47 3mfu n LEU 276 CO 0.36 0.56 0.44 0.50 -1.33 0.00 0.00 177.39 177.92 3mfu h LYS 277 N -0.65 0.13 -2.07 3.23 3.64 -0.55 -3.35 116.57 116.94 3mfu h LYS 277 Ca -0.50 -0.10 -0.57 0.00 -1.27 0.00 0.00 60.65 58.22 3mfu h LYS 277 Cb 1.62 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 33.06 3mfu h LYS 277 CO -0.20 0.75 -0.94 0.39 -2.27 0.00 0.00 179.45 177.18 3mfu n GLU 278 N -3.79 1.40 0.13 1.90 1.02 0.58 -4.93 120.64 116.95 3mfu n GLU 278 Ca -0.02 -3.75 -0.01 0.00 -0.02 0.00 0.00 57.16 53.36 3mfu n GLU 278 Cb 0.66 -1.62 0.14 0.00 -0.02 0.00 0.00 31.44 30.60 3mfu n GLU 278 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 3mfu h ARG 279 N 3.93 0.00 -1.82 3.49 0.11 -1.70 -1.68 114.38 116.71 3mfu h ARG 279 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 3mfu h ARG 279 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 3mfu h ARG 279 CO 0.60 0.65 0.00 -0.25 0.10 0.00 0.00 179.97 181.06 3mfu n ASP 280 N -3.66 3.51 0.00 0.08 10.43 -1.26 -2.18 116.55 123.48 3mfu n ASP 280 Ca -0.01 -1.90 0.00 0.00 2.57 0.00 0.00 54.79 55.45 3mfu n ASP 280 Cb 0.66 -0.72 0.00 0.00 1.84 0.00 0.00 41.12 42.91 3mfu n ASP 280 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3mfu n ARG 281 N 1.38 0.00 -0.02 -1.24 0.63 -1.22 -5.00 116.66 111.20 3mfu n ARG 281 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 3mfu n ARG 281 Cb 0.37 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.18 3mfu n ARG 281 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3mfu n TYR 282 N -0.64 0.00 -3.55 -0.14 4.02 -0.63 -4.97 117.16 111.24 3mfu n TYR 282 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 3mfu n TYR 282 Cb 0.00 -0.37 -0.06 0.00 -0.02 0.00 0.00 39.34 38.89 3mfu n TYR 282 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mfu s ALA 283 N -2.70 3.70 0.46 -0.72 0.00 -0.92 -4.79 121.76 116.78 3mfu s ALA 283 Ca -0.05 -0.31 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 3mfu s ALA 283 Cb 0.07 -2.34 -0.09 0.00 0.00 0.00 0.00 23.12 20.76 3mfu s ALA 283 CO 0.51 0.42 1.04 0.71 0.00 0.00 0.00 175.76 178.44 3mfu s TYR 284 N -0.75 3.07 -1.29 0.00 4.12 -1.26 -4.66 117.35 116.59 3mfu s TYR 284 Ca 0.22 1.60 0.11 0.00 0.02 0.00 0.00 57.07 59.01 3mfu s TYR 284 Cb -0.15 -3.09 0.14 0.00 -1.52 0.00 0.00 41.96 37.34 3mfu s TYR 284 CO 0.10 -0.78 0.95 1.63 0.02 0.00 0.00 175.55 177.47 3mfu n LYS 285 N -0.68 1.10 -2.28 -0.62 5.02 -1.26 -2.39 118.16 117.04 3mfu n LYS 285 Ca 0.08 -1.38 -0.35 0.00 -2.02 0.00 0.00 58.31 54.64 3mfu n LYS 285 Cb 0.52 -1.23 -0.00 0.00 -0.02 0.00 0.00 35.03 34.30 3mfu n LYS 285 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3mfu s ILE 286 N -0.95 3.19 0.41 -0.18 -4.36 -1.26 -4.86 121.20 113.19 3mfu s ILE 286 Ca 0.15 0.76 -0.25 0.00 -0.26 0.00 0.00 60.65 61.05 3mfu s ILE 286 Cb 0.10 -3.32 -0.08 0.00 1.25 0.00 0.00 42.46 40.41 3mfu s ILE 286 CO 0.14 -0.14 1.24 -2.28 0.24 0.00 0.00 174.94 174.14 3mfu s HIS 287 N -1.75 2.92 -0.85 1.37 5.65 -1.26 -4.16 115.29 117.21 3mfu s HIS 287 Ca 0.71 1.48 0.01 0.00 0.25 0.00 0.00 55.06 57.51 3mfu s HIS 287 Cb -0.24 -3.54 0.24 0.00 -1.18 0.00 0.00 32.58 27.86 3mfu s HIS 287 CO 0.27 -1.74 0.90 1.28 -0.65 0.00 0.00 174.74 174.80 3mfu n LEU 288 N 0.07 4.45 -0.17 8.88 4.77 0.12 -4.94 117.00 130.17 3mfu n LEU 288 Ca 0.04 -5.25 -0.05 0.00 -0.03 0.00 0.00 56.01 50.72 3mfu n LEU 288 Cb 0.45 -0.98 0.13 0.00 -2.33 0.00 0.00 43.42 40.69 3mfu n LEU 288 CO 0.53 1.76 0.93 1.55 -1.33 0.00 0.00 177.39 180.83 3mfu h PRO 289 N 5.27 0.94 -0.08 3.23 0.13 -1.95 -1.56 132.00 137.98 3mfu h PRO 289 Ca 0.18 -0.23 0.03 0.00 -0.87 0.00 0.00 66.00 65.11 3mfu h PRO 289 Cb 0.72 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.69 3mfu h PRO 289 CO 0.94 0.87 -0.11 0.93 -0.23 0.00 0.00 178.00 180.40 3mfu h GLU 290 N 0.89 -0.14 -0.54 0.86 4.39 -1.92 -0.89 114.58 117.23 3mfu h GLU 290 Ca 0.18 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.00 3mfu h GLU 290 Cb 0.38 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 28.97 3mfu h GLU 290 CO 0.01 -0.09 -0.09 1.15 -1.16 0.00 0.00 179.01 178.83 3mfu h THR 291 N -0.15 0.50 -0.95 1.13 2.02 -1.74 -1.28 112.91 112.44 3mfu h THR 291 Ca 0.07 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.24 3mfu h THR 291 Cb 0.24 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 3mfu h THR 291 CO -0.17 0.01 0.62 0.58 0.37 0.00 0.00 175.52 176.93 3mfu h VAL 292 N 0.04 1.24 -0.33 3.16 2.07 -0.88 0.54 116.25 122.09 3mfu h VAL 292 Ca 0.27 -0.45 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 3mfu h VAL 292 Cb 0.41 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3mfu h VAL 292 CO -0.52 0.24 -0.34 -0.33 0.02 0.00 0.00 177.57 176.63 3mfu h GLU 293 N 1.28 0.74 -0.31 1.57 4.39 -0.67 -0.85 114.58 120.74 3mfu h GLU 293 Ca 0.35 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3mfu h GLU 293 Cb -0.14 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3mfu h GLU 293 CO -0.07 0.97 -0.08 1.96 -1.16 0.00 0.00 179.01 180.63 3mfu h GLN 294 N 0.62 0.60 -0.71 2.33 1.08 -0.92 -2.82 115.11 115.29 3mfu h GLN 294 Ca 0.06 -0.24 0.14 0.00 -1.45 0.00 0.00 58.65 57.17 3mfu h GLN 294 Cb 0.88 -0.03 -0.10 0.00 -0.05 0.00 0.00 27.48 28.18 3mfu h GLN 294 CO 0.08 0.79 0.21 -0.07 -0.95 0.00 0.00 178.83 178.89 3mfu h LEU 295 N 0.37 0.10 -0.66 1.46 3.38 -0.80 0.18 115.31 119.34 3mfu h LEU 295 Ca 0.08 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3mfu h LEU 295 Cb 0.58 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3mfu h LEU 295 CO 0.03 0.02 0.37 -0.09 0.09 0.00 0.00 178.44 178.86 3mfu h ARG 296 N 0.32 0.66 -0.29 1.13 2.43 -1.05 0.16 114.38 117.75 3mfu h ARG 296 Ca 0.39 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.45 3mfu h ARG 296 Cb 0.63 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3mfu h ARG 296 CO -0.45 0.44 -0.09 0.87 -1.51 0.00 0.00 179.97 179.23 3mfu h LYS 297 N 0.68 0.57 -0.78 0.20 1.57 -1.17 -1.24 116.57 116.40 3mfu h LYS 297 Ca 0.29 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3mfu h LYS 297 Cb 0.17 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 3mfu h LYS 297 CO -0.18 0.78 0.48 0.35 -0.57 0.00 0.00 179.45 180.31 3mfu h PHE 298 N 0.32 0.89 -0.20 -1.35 3.57 -0.18 -1.43 116.94 118.56 3mfu h PHE 298 Ca 0.07 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3mfu h PHE 298 Cb 0.58 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3mfu h PHE 298 CO 0.05 0.47 -0.05 -0.91 -2.23 0.00 0.00 178.31 175.64 3mfu h ASN 299 N 0.90 0.40 -0.76 0.41 2.35 -0.64 -2.54 115.58 115.70 3mfu h ASN 299 Ca 0.33 -0.37 0.11 0.00 -0.55 0.00 0.00 56.30 55.82 3mfu h ASN 299 Cb 0.12 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.31 3mfu h ASN 299 CO -0.15 0.68 0.39 0.00 -1.65 0.00 0.00 177.43 176.69 3mfu h ALA 300 N 0.73 1.08 -0.71 -0.83 0.00 -0.88 -1.02 119.26 117.64 3mfu h ALA 300 Ca 0.05 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3mfu h ALA 300 Cb 0.51 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3mfu h ALA 300 CO 0.02 -0.04 0.18 0.00 0.00 0.00 0.00 179.25 179.41 3mfu h ARG 301 N 0.63 1.13 -0.45 0.00 3.08 -1.18 -1.81 114.38 115.78 3mfu h ARG 301 Ca 0.38 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3mfu h ARG 301 Cb 0.44 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3mfu h ARG 301 CO -0.29 0.99 0.04 0.00 -1.07 0.00 0.00 179.97 179.64 3mfu h ARG 302 N 1.07 0.76 0.00 0.04 3.08 -0.95 -1.51 114.38 116.87 3mfu h ARG 302 Ca 0.22 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mfu h ARG 302 Cb 0.36 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3mfu h ARG 302 CO 0.00 0.80 0.00 -0.22 -1.07 0.00 0.00 179.97 179.48 3mfu h LYS 303 N 0.62 0.00 0.11 0.04 3.64 -1.16 -3.12 116.57 116.70 3mfu h LYS 303 Ca 0.13 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3mfu h LYS 303 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3mfu h LYS 303 CO 0.01 0.00 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.07 3mfu h LEU 304 N 0.00 -0.12 -2.97 5.20 4.07 -1.21 -3.34 115.31 116.94 3mfu h LEU 304 Ca 0.00 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.51 3mfu h LEU 304 Cb 0.83 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.60 3mfu h LEU 304 CO 0.00 0.50 0.00 0.29 -1.08 0.00 0.00 178.44 178.15 3mfu n LYS 305 N -4.85 0.47 0.00 1.13 5.02 -0.58 -5.11 118.16 114.24 3mfu n LYS 305 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3mfu n LYS 305 Cb 0.28 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3mfu n LYS 305 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29