#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ofu n ALA 12 N 0.00 -0.50 -2.54 1.79 0.00 -1.26 -4.91 120.51 113.09 1ofu n ALA 12 Ca 0.00 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1ofu n ALA 12 Cb 0.00 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 1ofu n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ofu s VAL 13 N -0.59 4.93 -0.17 0.00 1.01 -1.26 -4.96 120.40 119.37 1ofu s VAL 13 Ca 0.66 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 1ofu s VAL 13 Cb -0.78 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 31.50 1ofu s VAL 13 CO 0.56 -0.40 -0.05 -0.63 0.00 0.00 0.00 175.10 174.57 1ofu s ILE 14 N 2.58 3.62 -0.00 2.22 1.01 -1.26 0.13 121.20 129.50 1ofu s ILE 14 Ca 0.20 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.49 1ofu s ILE 14 Cb -0.15 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1ofu s ILE 14 CO 0.16 0.48 -0.25 -0.54 0.00 0.00 0.00 174.94 174.79 1ofu s LYS 15 N 0.66 1.92 -0.22 2.79 1.02 -0.05 -1.17 119.74 124.68 1ofu s LYS 15 Ca -0.03 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.03 1ofu s LYS 15 Cb -0.15 -1.92 0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1ofu s LYS 15 CO 0.02 0.52 -0.14 0.08 -0.92 0.00 0.00 175.35 174.91 1ofu s VAL 16 N -0.64 2.32 -0.23 3.17 1.01 0.11 -0.30 120.40 125.84 1ofu s VAL 16 Ca 0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 1ofu s VAL 16 Cb -0.10 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1ofu s VAL 16 CO -0.00 0.29 -0.03 -0.51 0.00 0.00 0.00 175.10 174.85 1ofu s ILE 17 N 1.25 3.43 -0.21 2.22 2.07 0.58 0.02 121.20 130.56 1ofu s ILE 17 Ca -0.00 -0.54 -0.17 0.00 -1.41 0.00 0.00 60.65 58.52 1ofu s ILE 17 Cb -0.16 -2.60 -0.03 0.00 0.13 0.00 0.00 42.46 39.80 1ofu s ILE 17 CO -0.08 0.37 0.47 -0.83 -1.91 0.00 0.00 174.94 172.95 1ofu s GLY 18 N 1.47 2.05 -0.21 1.50 0.00 0.11 -1.09 107.32 111.16 1ofu s GLY 18 Ca 0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.24 1ofu s GLY 18 CO -0.03 0.99 -0.02 0.14 0.00 0.00 0.00 173.10 174.18 1ofu s VAL 19 N 1.59 3.67 0.00 1.40 1.01 -0.31 0.46 120.40 128.21 1ofu s VAL 19 Ca 0.22 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1ofu s VAL 19 Cb -0.15 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1ofu s VAL 19 CO 0.09 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1ofu n GLY 20 N 4.53 -2.27 0.41 4.51 0.00 0.29 -3.48 105.19 109.18 1ofu n GLY 20 Ca -0.18 -1.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.00 1ofu n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ofu h GLY 21 N 0.00 -1.06 1.06 -0.02 0.00 -1.95 0.27 103.07 101.36 1ofu h GLY 21 Ca 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 1ofu h GLY 21 CO 0.00 -0.39 0.28 -1.33 0.00 0.00 0.00 176.54 175.10 1ofu h GLY 22 N -1.12 1.28 1.01 4.60 0.00 -1.91 -1.87 103.07 105.06 1ofu h GLY 22 Ca -0.10 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1ofu h GLY 22 CO 0.17 0.68 0.46 -1.33 0.00 0.00 0.00 176.54 176.52 1ofu h GLY 23 N 1.15 1.18 0.97 4.60 0.00 -1.58 -1.93 103.07 107.45 1ofu h GLY 23 Ca 0.26 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1ofu h GLY 23 CO -0.01 0.50 0.10 -1.33 0.00 0.00 0.00 176.54 175.79 1ofu h GLY 24 N 1.11 0.83 1.19 4.60 0.00 -0.57 -2.06 103.07 108.16 1ofu h GLY 24 Ca 0.29 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1ofu h GLY 24 CO -0.05 0.49 0.55 3.43 0.00 0.00 0.00 176.54 180.96 1ofu h ASN 25 N 0.65 0.94 -0.25 0.19 -0.26 -1.01 0.49 115.58 116.33 1ofu h ASN 25 Ca 0.15 -0.02 -0.07 0.00 -0.56 0.00 0.00 56.30 55.79 1ofu h ASN 25 Cb 0.35 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1ofu h ASN 25 CO 0.00 0.68 -0.13 0.00 -1.06 0.00 0.00 177.43 176.93 1ofu h ALA 26 N 1.49 0.36 -0.63 -0.83 0.00 -1.16 -1.51 119.26 116.98 1ofu h ALA 26 Ca 0.30 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ofu h ALA 26 Cb -0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1ofu h ALA 26 CO -0.07 0.23 0.12 0.28 0.00 0.00 0.00 179.25 179.82 1ofu h VAL 27 N 0.26 1.26 0.00 0.00 2.07 -1.04 -0.07 116.25 118.74 1ofu h VAL 27 Ca 0.06 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 1ofu h VAL 27 Cb 0.64 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1ofu h VAL 27 CO 0.04 0.37 -0.34 0.78 0.02 0.00 0.00 177.57 178.44 1ofu h ASN 28 N 0.94 0.00 -0.04 0.57 2.35 -0.87 -0.31 115.58 118.22 1ofu h ASN 28 Ca 0.19 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.76 1ofu h ASN 28 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1ofu h ASN 28 CO 0.01 0.34 -0.64 -0.74 -1.65 0.00 0.00 177.43 174.74 1ofu h HIS 29 N 0.00 0.85 -0.47 1.19 2.76 -0.64 -2.87 115.15 115.96 1ofu h HIS 29 Ca -0.00 -0.33 -0.06 0.00 -2.20 0.00 0.00 60.37 57.77 1ofu h HIS 29 Cb 0.70 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 1ofu h HIS 29 CO 0.00 1.12 0.06 0.52 -1.30 0.00 0.00 177.93 178.32 1ofu h MET 30 N 0.48 0.80 0.00 5.26 2.86 -0.30 -1.81 114.93 122.22 1ofu h MET 30 Ca -0.01 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1ofu h MET 30 Cb 1.22 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.80 1ofu h MET 30 CO 0.13 0.82 0.00 0.00 1.06 0.00 0.00 176.91 178.91 1ofu h ALA 31 N 0.95 1.00 0.00 6.32 0.00 -1.04 -2.88 119.26 123.61 1ofu h ALA 31 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1ofu h ALA 31 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1ofu h ALA 31 CO 0.01 0.00 -1.98 1.63 0.00 0.00 0.00 179.25 178.91 1ofu n LYS 32 N -3.07 0.66 0.00 0.00 5.02 -1.03 -4.96 118.16 114.78 1ofu n LYS 32 Ca -0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1ofu n LYS 32 Cb 0.18 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1ofu n LYS 32 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ofu n ASN 33 N -2.59 0.00 -3.28 4.39 4.13 -0.71 -5.00 115.26 112.21 1ofu n ASN 33 Ca -0.16 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.80 1ofu n ASN 33 Cb 0.84 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 39.04 1ofu n ASN 33 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1ofu n ASN 34 N 0.00 4.93 -3.92 6.41 5.15 -1.26 -4.91 115.26 121.66 1ofu n ASN 34 Ca 0.00 -3.60 -0.29 0.00 -0.60 0.00 0.00 54.58 50.09 1ofu n ASN 34 Cb 0.00 -0.75 -0.13 0.00 -0.53 0.00 0.00 39.78 38.37 1ofu n ASN 34 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ofu s VAL 35 N -3.76 2.59 0.57 3.44 1.01 -1.25 -4.96 120.40 118.05 1ofu s VAL 35 Ca 0.43 -3.54 0.01 0.00 0.00 0.00 0.00 61.98 58.88 1ofu s VAL 35 Cb 0.21 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.86 1ofu s VAL 35 CO -0.08 -0.87 0.80 -1.61 0.00 0.00 0.00 175.10 173.35 1ofu s GLU 36 N -0.58 2.47 0.00 2.72 8.01 -1.26 -4.50 118.70 125.55 1ofu s GLU 36 Ca 0.19 -0.77 0.00 0.00 0.01 0.00 0.00 54.97 54.41 1ofu s GLU 36 Cb -0.20 -2.46 0.00 0.00 -4.31 0.00 0.00 34.13 27.17 1ofu s GLU 36 CO -0.05 -0.80 0.00 0.41 0.01 0.00 0.00 175.26 174.84 1ofu n GLY 37 N -2.41 0.42 3.26 -1.39 0.00 -1.26 -4.84 105.19 98.97 1ofu n GLY 37 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 1ofu n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ofu s VAL 38 N -2.03 1.26 -0.15 1.61 -7.23 -1.26 -4.48 120.40 108.11 1ofu s VAL 38 Ca 0.00 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 1ofu s VAL 38 Cb 0.00 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 1ofu s VAL 38 CO 0.00 -0.66 0.12 -1.61 -0.31 0.00 0.00 175.10 172.64 1ofu s GLU 39 N -3.48 3.73 -0.15 4.82 2.02 -0.32 -4.97 118.70 120.35 1ofu s GLU 39 Ca 0.15 -0.20 -0.06 0.00 0.02 0.00 0.00 54.97 54.88 1ofu s GLU 39 Cb 0.00 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 1ofu s GLU 39 CO 0.02 0.56 0.06 -0.06 0.02 0.00 0.00 175.26 175.85 1ofu s PHE 40 N -0.40 3.29 -0.02 1.61 0.40 -1.26 0.08 117.98 121.67 1ofu s PHE 40 Ca 0.11 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.64 1ofu s PHE 40 Cb -0.12 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.43 1ofu s PHE 40 CO 0.01 0.32 -0.09 0.42 0.70 0.00 0.00 175.22 176.59 1ofu s ILE 41 N -0.15 0.74 -0.20 0.64 1.01 0.10 -3.11 121.20 120.24 1ofu s ILE 41 Ca 0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 1ofu s ILE 41 Cb -0.12 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1ofu s ILE 41 CO 0.01 0.23 -0.08 0.00 0.00 0.00 0.00 174.94 175.11 1ofu s ALA 43 N 1.22 2.68 -0.05 0.00 0.00 0.17 -0.40 121.76 125.39 1ofu s ALA 43 Ca 0.02 -1.05 -0.26 0.00 0.00 0.00 0.00 51.96 50.68 1ofu s ALA 43 Cb -0.14 -1.43 0.05 0.00 0.00 0.00 0.00 23.12 21.60 1ofu s ALA 43 CO -0.03 -0.12 0.56 1.21 0.00 0.00 0.00 175.76 177.39 1ofu s ASN 44 N 0.95 -0.51 0.28 0.00 3.04 -0.65 -0.55 114.94 117.51 1ofu s ASN 44 Ca -0.02 0.54 0.21 0.00 0.04 0.00 0.00 52.86 53.63 1ofu s ASN 44 Cb -0.15 0.49 0.12 0.00 -1.54 0.00 0.00 41.25 40.17 1ofu s ASN 44 CO -0.01 -0.54 1.28 0.71 -3.04 0.00 0.00 177.10 175.50 1ofu h THR 45 N 3.31 0.18 -3.12 -5.21 1.35 -1.86 -0.91 112.91 106.65 1ofu h THR 45 Ca -0.28 -1.29 -0.56 0.00 -0.55 0.00 0.00 66.41 63.73 1ofu h THR 45 Cb 1.15 1.88 -0.08 0.00 -1.73 0.00 0.00 68.15 69.37 1ofu h THR 45 CO 0.38 0.10 0.94 -0.62 -0.25 0.00 0.00 175.52 176.08 1ofu s ASP 46 N -5.88 6.41 0.29 5.36 -1.08 -1.26 -2.13 116.67 118.38 1ofu s ASP 46 Ca 0.03 0.00 0.03 0.00 -0.52 0.00 0.00 52.55 52.08 1ofu s ASP 46 Cb 0.07 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.43 1ofu s ASP 46 CO 0.74 -1.49 1.75 0.00 0.52 0.00 0.00 175.17 176.69 1ofu h ALA 47 N 9.57 1.15 -0.27 3.66 0.00 -1.36 -3.05 119.26 128.95 1ofu h ALA 47 Ca -0.25 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1ofu h ALA 47 Cb 1.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1ofu h ALA 47 CO 1.19 0.54 -0.14 0.37 0.00 0.00 0.00 179.25 181.21 1ofu h GLN 48 N 0.45 0.47 0.00 0.00 5.75 -1.92 -2.68 115.11 117.18 1ofu h GLN 48 Ca 0.07 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1ofu h GLN 48 Cb 0.60 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 1ofu h GLN 48 CO 0.04 0.60 -0.01 0.00 -2.65 0.00 0.00 178.83 176.81 1ofu h ALA 49 N 1.43 1.01 -0.25 3.38 0.00 -1.92 -2.55 119.26 120.35 1ofu h ALA 49 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ofu h ALA 49 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ofu h ALA 49 CO 0.03 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1ofu n LEU 50 N -3.11 1.87 -4.78 0.00 4.77 -1.01 -4.87 117.00 109.86 1ofu n LEU 50 Ca -0.00 -0.84 -0.37 0.00 -0.03 0.00 0.00 56.01 54.76 1ofu n LEU 50 Cb 0.25 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1ofu n LEU 50 CO 0.26 0.42 0.07 -0.54 -1.33 0.00 0.00 177.39 176.27 1ofu s LYS 51 N -1.67 4.10 -1.16 3.23 1.02 -0.96 -4.49 119.74 119.80 1ofu s LYS 51 Ca 0.30 0.31 -0.12 0.00 0.02 0.00 0.00 55.97 56.47 1ofu s LYS 51 Cb 0.16 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1ofu s LYS 51 CO 0.23 0.43 0.79 0.09 -0.92 0.00 0.00 175.35 175.97 1ofu n ASN 52 N 2.80 -4.54 -4.53 2.83 3.02 -1.26 -5.01 115.26 108.57 1ofu n ASN 52 Ca -0.12 -0.91 -0.25 0.00 -0.03 0.00 0.00 54.58 53.27 1ofu n ASN 52 Cb 0.52 -3.91 -0.10 0.00 -0.61 0.00 0.00 39.78 35.68 1ofu n ASN 52 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1ofu s ILE 53 N -3.51 2.41 0.15 2.41 -4.36 -1.26 -5.06 121.20 111.97 1ofu s ILE 53 Ca 0.35 -2.25 -0.16 0.00 -0.26 0.00 0.00 60.65 58.34 1ofu s ILE 53 Cb -0.10 -2.54 0.01 0.00 1.25 0.00 0.00 42.46 41.08 1ofu s ILE 53 CO 0.83 -0.28 1.74 0.00 0.24 0.00 0.00 174.94 177.47 1ofu h ALA 54 N 2.09 0.55 -2.17 2.27 0.00 -1.95 -3.44 119.26 116.61 1ofu h ALA 54 Ca -0.41 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 1ofu h ALA 54 Cb 1.25 -0.17 0.06 0.00 0.00 0.00 0.00 17.79 18.93 1ofu h ALA 54 CO 0.66 0.09 0.74 0.00 0.00 0.00 0.00 179.25 180.73 1ofu n ALA 55 N -2.27 0.96 0.14 0.00 0.00 -1.26 -4.89 120.51 113.20 1ofu n ALA 55 Ca 0.01 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1ofu n ALA 55 Cb 0.09 -2.30 0.18 0.00 0.00 0.00 0.00 19.45 17.42 1ofu n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ofu h ARG 56 N 5.70 0.00 -6.33 0.00 3.08 -1.85 -3.44 114.38 111.54 1ofu h ARG 56 Ca -0.45 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 58.91 1ofu h ARG 56 Cb 1.27 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.09 1ofu h ARG 56 CO 0.87 0.58 -0.77 0.99 -1.07 0.00 0.00 179.97 180.57 1ofu s THR 57 N -3.49 3.10 0.06 2.04 2.01 -1.18 -5.09 115.64 113.09 1ofu s THR 57 Ca -0.00 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.32 1ofu s THR 57 Cb 0.12 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1ofu s THR 57 CO 0.74 0.58 -0.14 0.68 -0.69 0.00 0.00 174.62 175.79 1ofu s VAL 58 N -0.75 1.12 -0.28 3.82 -7.23 -1.26 -1.86 120.40 113.96 1ofu s VAL 58 Ca 0.12 -1.23 -0.02 0.00 -1.81 0.00 0.00 61.98 59.04 1ofu s VAL 58 Cb -0.11 -1.06 0.09 0.00 0.56 0.00 0.00 36.38 35.86 1ofu s VAL 58 CO 0.01 -0.16 0.10 -0.22 -0.31 0.00 0.00 175.10 174.51 1ofu s LEU 59 N -1.59 1.51 -0.64 1.32 2.96 0.46 -4.92 118.68 117.78 1ofu s LEU 59 Ca -0.01 -1.38 -0.27 0.00 -0.22 0.00 0.00 54.13 52.25 1ofu s LEU 59 Cb -0.09 -0.65 0.03 0.00 0.50 0.00 0.00 46.19 45.98 1ofu s LEU 59 CO 0.02 -0.40 1.20 -1.58 -1.32 0.00 0.00 176.35 174.27 1ofu s GLN 60 N 1.82 3.37 0.28 1.98 0.74 -1.26 -1.63 119.66 124.96 1ofu s GLN 60 Ca 0.08 -0.01 -0.29 0.00 0.05 0.00 0.00 55.36 55.19 1ofu s GLN 60 Cb -0.17 -4.09 -0.10 0.00 1.10 0.00 0.00 33.01 29.76 1ofu s GLN 60 CO -0.26 -1.85 1.18 -0.51 -0.55 0.00 0.00 175.29 173.31 1ofu s LEU 61 N 5.16 4.50 -1.03 3.68 1.43 -0.35 -4.32 118.68 127.75 1ofu s LEU 61 Ca 0.38 2.41 -0.18 0.00 -1.03 0.00 0.00 54.13 55.72 1ofu s LEU 61 Cb -0.08 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.52 1ofu s LEU 61 CO 0.21 -0.31 0.67 0.61 0.23 0.00 0.00 176.35 177.76 1ofu n GLY 62 N 1.21 -1.07 0.29 -3.19 0.00 -1.11 -4.40 105.19 96.92 1ofu n GLY 62 Ca 0.00 0.47 0.16 0.00 0.00 0.00 0.00 46.02 46.65 1ofu n GLY 62 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ofu h PRO 63 N -1.45 0.00 0.07 1.61 0.11 -1.90 -1.08 132.00 129.36 1ofu h PRO 63 Ca -0.64 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.18 1ofu h PRO 63 Cb 1.38 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.47 1ofu h PRO 63 CO 0.44 0.06 -1.51 0.78 -0.21 0.00 0.00 178.00 177.56 1ofu h GLY 64 N 0.80 0.18 1.34 -0.55 0.00 -1.96 -0.97 103.07 101.91 1ofu h GLY 64 Ca -0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 47.33 46.55 1ofu h GLY 64 CO 0.01 0.40 -1.44 -2.08 0.00 0.00 0.00 176.54 173.43 1ofu h VAL 65 N 0.04 1.31 0.00 4.60 2.07 -1.85 -3.39 116.25 119.03 1ofu h VAL 65 Ca -0.22 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.49 1ofu h VAL 65 Cb 1.98 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.71 1ofu h VAL 65 CO 0.13 0.84 -1.19 0.35 0.02 0.00 0.00 177.57 177.73 1ofu n THR 66 N -3.62 0.00 -3.24 2.57 -2.24 -0.44 -5.00 114.28 102.31 1ofu n THR 66 Ca -0.15 -0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 1ofu n THR 66 Cb 1.07 0.52 0.03 0.00 -2.10 0.00 0.00 70.33 69.86 1ofu n THR 66 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ofu n LYS 67 N -1.69 -5.17 -0.91 -0.78 5.02 -0.37 -1.81 118.16 112.47 1ofu n LYS 67 Ca -0.00 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1ofu n LYS 67 Cb 0.28 -5.67 0.00 0.00 -0.02 0.00 0.00 35.03 29.61 1ofu n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ofu n GLY 68 N -1.55 0.22 0.34 0.72 0.00 -1.26 -4.84 105.19 98.82 1ofu n GLY 68 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1ofu n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ofu n LEU 69 N 0.00 1.11 0.00 0.99 4.77 -0.75 -1.03 117.00 122.08 1ofu n LEU 69 Ca 0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1ofu n LEU 69 Cb 0.24 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1ofu n LEU 69 CO 0.00 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1ofu n GLY 70 N 1.18 -2.36 3.95 -0.72 0.00 -0.90 -4.77 105.19 101.56 1ofu n GLY 70 Ca 0.19 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.36 1ofu n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofu s ALA 71 N -1.14 4.42 -0.59 4.61 0.00 -1.26 -4.80 121.76 122.99 1ofu s ALA 71 Ca 0.00 -1.78 0.03 0.00 0.00 0.00 0.00 51.96 50.21 1ofu s ALA 71 Cb 0.00 -1.19 0.38 0.00 0.00 0.00 0.00 23.12 22.31 1ofu s ALA 71 CO 0.00 -0.47 1.27 0.41 0.00 0.00 0.00 175.76 176.98 1ofu n GLY 72 N -1.85 5.84 2.99 0.00 0.00 -1.26 -4.76 105.19 106.14 1ofu n GLY 72 Ca 0.07 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.37 1ofu n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofu n ALA 73 N -0.39 0.00 -2.63 4.61 0.00 -1.26 -4.92 120.51 115.91 1ofu n ALA 73 Ca 0.40 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.41 1ofu n ALA 73 Cb 0.49 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 1ofu n ALA 73 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ofu s ASN 74 N -2.11 6.31 0.63 0.00 3.84 -1.26 -3.49 114.94 118.86 1ofu s ASN 74 Ca 0.00 -0.48 0.38 0.00 0.21 0.00 0.00 52.86 52.97 1ofu s ASN 74 Cb 0.00 -2.35 2.13 0.00 -0.55 0.00 0.00 41.25 40.48 1ofu s ASN 74 CO 0.00 -0.95 2.31 1.55 -2.79 0.00 0.00 177.10 177.21 1ofu h PRO 75 N 9.04 0.00 -0.25 0.43 0.13 -1.70 -2.10 132.00 137.55 1ofu h PRO 75 Ca -0.26 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.68 1ofu h PRO 75 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ofu h PRO 75 CO 0.98 0.01 -0.60 1.49 -0.23 0.00 0.00 178.00 179.64 1ofu h GLU 76 N 0.00 0.82 -0.50 0.86 4.57 -1.92 -1.10 114.58 117.30 1ofu h GLU 76 Ca -0.00 -0.55 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 1ofu h GLU 76 Cb 0.03 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1ofu h GLU 76 CO 0.00 1.18 0.28 0.28 -1.18 0.00 0.00 179.01 179.58 1ofu h VAL 77 N 0.61 1.17 -0.68 0.32 2.07 -1.70 0.26 116.25 118.30 1ofu h VAL 77 Ca -0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1ofu h VAL 77 Cb 1.21 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1ofu h VAL 77 CO 0.13 0.18 0.43 1.23 0.02 0.00 0.00 177.57 179.56 1ofu h GLY 78 N 0.67 0.96 0.94 2.17 0.00 -1.37 -0.16 103.07 106.28 1ofu h GLY 78 Ca 0.18 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1ofu h GLY 78 CO -0.03 0.36 0.10 -0.09 0.00 0.00 0.00 176.54 176.89 1ofu h ARG 79 N 0.92 0.67 -0.43 4.80 2.43 -0.77 -1.98 114.38 120.01 1ofu h ARG 79 Ca 0.25 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1ofu h ARG 79 Cb -0.08 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1ofu h ARG 79 CO -0.05 0.69 -0.09 1.96 -1.51 0.00 0.00 179.97 180.96 1ofu h GLN 80 N 0.54 0.77 -0.56 0.20 1.08 -0.61 -0.70 115.11 115.83 1ofu h GLN 80 Ca 0.13 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 57.00 1ofu h GLN 80 Cb 0.32 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1ofu h GLN 80 CO 0.00 0.84 0.01 0.00 -0.95 0.00 0.00 178.83 178.73 1ofu h ALA 81 N 1.20 0.97 -0.41 3.87 0.00 -0.92 -1.97 119.26 122.00 1ofu h ALA 81 Ca 0.12 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1ofu h ALA 81 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ofu h ALA 81 CO 0.03 0.63 -0.29 0.00 0.00 0.00 0.00 179.25 179.63 1ofu h ALA 82 N 1.13 0.58 -0.33 0.00 0.00 -0.98 -2.74 119.26 116.92 1ofu h ALA 82 Ca 0.16 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ofu h ALA 82 Cb 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ofu h ALA 82 CO 0.02 0.62 0.20 -0.07 0.00 0.00 0.00 179.25 180.02 1ofu h LEU 83 N 0.73 0.39 -1.07 0.00 3.38 -0.89 -1.58 115.31 116.28 1ofu h LEU 83 Ca 0.08 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1ofu h LEU 83 Cb 0.87 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1ofu h LEU 83 CO 0.08 0.30 -0.32 -0.08 0.09 0.00 0.00 178.44 178.50 1ofu h GLU 84 N 0.45 0.25 -0.53 1.13 4.81 -1.07 -3.24 114.58 116.39 1ofu h GLU 84 Ca 0.12 -0.10 -0.27 0.00 -0.13 0.00 0.00 59.36 58.99 1ofu h GLU 84 Cb -0.02 -0.01 -0.16 0.00 0.63 0.00 0.00 28.75 29.19 1ofu h GLU 84 CO -0.02 0.56 0.12 -0.25 -0.73 0.00 0.00 179.01 178.68 1ofu n ASP 85 N -4.10 2.89 -0.22 1.04 8.00 -0.63 -4.70 116.55 118.84 1ofu n ASP 85 Ca -0.01 -3.71 0.11 0.00 0.71 0.00 0.00 54.79 51.89 1ofu n ASP 85 Cb 0.42 -0.69 0.40 0.00 -0.02 0.00 0.00 41.12 41.22 1ofu n ASP 85 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1ofu h ARG 86 N 1.07 0.64 -0.05 -1.24 3.08 -1.49 0.14 114.38 116.52 1ofu h ARG 86 Ca 0.33 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1ofu h ARG 86 Cb 1.99 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 1ofu h ARG 86 CO 0.58 0.42 -0.00 1.49 -1.07 0.00 0.00 179.97 181.39 1ofu h GLU 87 N 0.65 0.08 0.00 0.04 4.81 -1.89 -1.34 114.58 116.94 1ofu h GLU 87 Ca 0.39 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1ofu h GLU 87 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1ofu h GLU 87 CO -0.15 0.39 -0.19 0.00 -0.73 0.00 0.00 179.01 178.33 1ofu h ARG 88 N -0.23 0.00 -0.15 1.92 3.08 -1.70 -1.24 114.38 116.06 1ofu h ARG 88 Ca 0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 1ofu h ARG 88 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1ofu h ARG 88 CO 0.00 0.19 -0.64 0.82 -1.07 0.00 0.00 179.97 179.27 1ofu h ILE 89 N 0.00 1.33 -0.08 2.04 2.04 -0.56 -2.47 117.51 119.81 1ofu h ILE 89 Ca -0.00 -1.93 -0.00 0.00 1.00 0.00 0.00 64.86 63.92 1ofu h ILE 89 Cb 0.52 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1ofu h ILE 89 CO 0.02 0.60 0.04 0.28 0.00 0.00 0.00 178.15 179.10 1ofu h SER 90 N 0.41 0.09 0.07 1.72 0.02 -0.14 -2.56 113.55 113.15 1ofu h SER 90 Ca -0.01 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1ofu h SER 90 Cb 1.21 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1ofu h SER 90 CO 0.12 0.13 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.42 1ofu h GLU 91 N 0.05 -0.32 -0.02 3.45 5.08 -1.22 0.63 114.58 122.23 1ofu h GLU 91 Ca 0.03 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1ofu h GLU 91 Cb 0.05 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ofu h GLU 91 CO -0.00 -0.21 0.02 -0.24 -1.00 0.00 0.00 179.01 177.57 1ofu h VAL 92 N -0.33 0.71 0.00 3.13 3.04 -1.40 -2.03 116.25 119.36 1ofu h VAL 92 Ca 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 1ofu h VAL 92 Cb 0.37 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1ofu h VAL 92 CO -0.13 0.00 -1.00 0.18 -1.01 0.00 0.00 177.57 175.61 1ofu n LEU 93 N -4.13 0.70 -4.60 3.16 4.77 -0.82 -4.97 117.00 111.11 1ofu n LEU 93 Ca -0.03 0.20 -0.53 0.00 -0.03 0.00 0.00 56.01 55.62 1ofu n LEU 93 Cb 0.11 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1ofu n LEU 93 CO 0.30 -0.09 0.93 -1.84 -1.33 0.00 0.00 177.39 175.37 1ofu n GLU 94 N -2.35 1.07 0.00 3.23 0.28 0.15 -1.93 120.64 121.09 1ofu n GLU 94 Ca 0.01 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1ofu n GLU 94 Cb 0.50 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 31.35 1ofu n GLU 94 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ofu n GLY 95 N 2.67 1.05 3.77 -1.84 0.00 -1.26 -5.05 105.19 104.53 1ofu n GLY 95 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1ofu n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofu s ALA 96 N -2.31 3.19 -0.09 4.61 0.00 -0.81 -4.70 121.76 121.64 1ofu s ALA 96 Ca 0.00 0.76 0.22 0.00 0.00 0.00 0.00 51.96 52.95 1ofu s ALA 96 Cb 0.00 -3.29 -0.26 0.00 0.00 0.00 0.00 23.12 19.57 1ofu s ALA 96 CO 0.00 -0.20 0.62 -0.25 0.00 0.00 0.00 175.76 175.93 1ofu n ASP 97 N 0.33 0.21 -3.67 0.00 8.00 0.12 -4.86 116.55 116.68 1ofu n ASP 97 Ca 0.03 0.07 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 1ofu n ASP 97 Cb 0.48 1.62 -0.08 0.00 -0.02 0.00 0.00 41.12 43.12 1ofu n ASP 97 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1ofu s MET 98 N -3.48 0.72 -0.03 -1.24 1.75 -0.85 -3.49 119.30 112.68 1ofu s MET 98 Ca -0.06 0.64 0.02 0.00 -1.25 0.00 0.00 55.69 55.04 1ofu s MET 98 Cb 0.13 0.35 0.01 0.00 2.84 0.00 0.00 34.83 38.15 1ofu s MET 98 CO 0.88 -0.12 -0.08 0.54 -0.65 0.00 0.00 175.02 175.59 1ofu s VAL 99 N -0.04 0.71 -0.18 10.11 0.11 -0.53 -0.87 120.40 129.71 1ofu s VAL 99 Ca -0.03 -0.29 -0.06 0.00 -2.93 0.00 0.00 61.98 58.67 1ofu s VAL 99 Cb -0.04 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1ofu s VAL 99 CO 0.02 0.24 0.04 -0.36 -3.33 0.00 0.00 175.10 171.71 1ofu s PHE 100 N 0.43 3.18 -0.27 1.54 0.40 0.59 -1.26 117.98 122.59 1ofu s PHE 100 Ca -0.07 -0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.16 1ofu s PHE 100 Cb -0.11 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.38 1ofu s PHE 100 CO 0.01 0.07 0.01 0.42 0.70 0.00 0.00 175.22 176.42 1ofu s ILE 101 N 0.46 3.49 -0.04 0.64 1.01 -0.06 -0.30 121.20 126.39 1ofu s ILE 101 Ca 0.01 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.95 1ofu s ILE 101 Cb -0.13 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1ofu s ILE 101 CO 0.01 0.18 -0.23 0.28 0.00 0.00 0.00 174.94 175.17 1ofu s THR 102 N 1.43 1.90 0.16 2.92 -1.32 -0.25 -0.19 115.64 120.30 1ofu s THR 102 Ca 0.02 -1.00 -0.24 0.00 -1.21 0.00 0.00 61.69 59.27 1ofu s THR 102 Cb -0.17 -1.60 0.06 0.00 -1.51 0.00 0.00 72.50 69.29 1ofu s THR 102 CO -0.01 0.53 0.69 0.28 -2.21 0.00 0.00 174.62 173.91 1ofu s THR 103 N -0.25 0.00 -0.42 5.08 -1.32 -1.17 -1.16 115.64 116.41 1ofu s THR 103 Ca 0.00 -0.25 -0.16 0.00 -1.21 0.00 0.00 61.69 60.08 1ofu s THR 103 Cb -0.12 -1.27 0.02 0.00 -1.51 0.00 0.00 72.50 69.62 1ofu s THR 103 CO 0.02 0.00 0.35 -0.83 -2.21 0.00 0.00 174.62 171.95 1ofu s GLY 104 N -2.76 1.97 0.26 6.08 0.00 -1.26 -2.36 107.32 109.26 1ofu s GLY 104 Ca 0.04 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.80 1ofu s GLY 104 CO -0.07 1.01 1.10 1.06 0.00 0.00 0.00 173.10 176.19 1ofu s MET 105 N 1.83 4.64 0.00 2.90 1.00 -0.87 -4.00 119.30 124.80 1ofu s MET 105 Ca 0.07 1.79 0.00 0.00 0.00 0.00 0.00 55.69 57.55 1ofu s MET 105 Cb -0.19 -3.20 0.00 0.00 0.00 0.00 0.00 34.83 31.44 1ofu s MET 105 CO 0.11 0.19 0.00 0.41 0.00 0.00 0.00 175.02 175.73 1ofu n GLY 106 N 1.33 1.48 0.00 -0.03 0.00 -1.26 -3.86 105.19 102.85 1ofu n GLY 106 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ofu n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ofu n GLY 107 N 0.00 1.77 0.20 -0.02 0.00 -1.26 -4.72 105.19 101.17 1ofu n GLY 107 Ca 0.00 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 43.90 1ofu n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ofu n GLY 108 N 5.00 -0.44 0.36 -0.02 0.00 -1.23 -4.05 105.19 104.81 1ofu n GLY 108 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1ofu n GLY 108 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ofu h THR 109 N -0.91 0.28 0.49 2.61 2.02 -1.89 -1.15 112.91 114.36 1ofu h THR 109 Ca -0.41 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 1ofu h THR 109 Cb 1.32 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1ofu h THR 109 CO -0.25 0.02 -0.31 1.23 0.37 0.00 0.00 175.52 176.59 1ofu h GLY 110 N -1.02 -0.81 1.36 2.16 0.00 -1.84 0.28 103.07 103.20 1ofu h GLY 110 Ca -0.09 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1ofu h GLY 110 CO 0.15 -0.30 0.24 -0.91 0.00 0.00 0.00 176.54 175.72 1ofu h THR 111 N -0.76 1.20 0.02 4.70 1.35 -1.72 -2.29 112.91 115.41 1ofu h THR 111 Ca -0.06 -0.62 -0.04 0.00 -0.55 0.00 0.00 66.41 65.15 1ofu h THR 111 Cb 0.62 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1ofu h THR 111 CO 0.05 0.25 -0.18 1.23 -0.25 0.00 0.00 175.52 176.63 1ofu h GLY 112 N 0.93 0.10 1.95 5.82 0.00 -1.06 -3.40 103.07 107.42 1ofu h GLY 112 Ca 0.20 -0.21 -0.22 0.00 0.00 0.00 0.00 47.33 47.10 1ofu h GLY 112 CO -0.02 0.18 -1.02 0.00 0.00 0.00 0.00 176.54 175.68 1ofu h ALA 113 N 0.12 0.33 -0.38 3.60 0.00 -0.49 -3.32 119.26 119.13 1ofu h ALA 113 Ca -0.03 -0.90 0.06 0.00 0.00 0.00 0.00 54.91 54.04 1ofu h ALA 113 Cb 1.04 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1ofu h ALA 113 CO 0.03 1.20 0.06 0.00 0.00 0.00 0.00 179.25 180.55 1ofu h ALA 114 N 0.96 0.39 -0.92 0.00 0.00 -1.55 0.92 119.26 119.06 1ofu h ALA 114 Ca -0.03 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ofu h ALA 114 Cb 1.78 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.63 1ofu h ALA 114 CO 0.14 -0.34 0.61 -1.35 0.00 0.00 0.00 179.25 178.30 1ofu h PRO 115 N 0.18 1.12 -0.44 0.00 0.11 -1.77 0.14 132.00 131.34 1ofu h PRO 115 Ca 0.18 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 66.08 1ofu h PRO 115 Cb 0.22 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1ofu h PRO 115 CO -0.25 0.74 -0.28 0.82 -0.21 0.00 0.00 178.00 178.81 1ofu h ILE 116 N 1.15 1.27 -0.77 4.15 2.04 -1.54 -0.15 117.51 123.66 1ofu h ILE 116 Ca 0.37 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1ofu h ILE 116 Cb 0.03 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1ofu h ILE 116 CO -0.12 0.49 0.29 0.40 0.00 0.00 0.00 178.15 179.22 1ofu h ILE 117 N 0.80 1.26 -0.64 -0.67 2.04 -0.08 -2.03 117.51 118.19 1ofu h ILE 117 Ca 0.09 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 1ofu h ILE 117 Cb 0.87 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1ofu h ILE 117 CO 0.08 0.34 0.28 0.00 0.00 0.00 0.00 178.15 178.84 1ofu h ALA 118 N 1.15 0.83 -0.41 1.87 0.00 -0.46 -1.65 119.26 120.59 1ofu h ALA 118 Ca 0.25 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ofu h ALA 118 Cb 0.24 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1ofu h ALA 118 CO -0.02 0.43 0.12 0.93 0.00 0.00 0.00 179.25 180.71 1ofu h GLU 119 N 0.89 0.26 -0.06 0.00 5.08 -0.48 -0.10 114.58 120.17 1ofu h GLU 119 Ca 0.22 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1ofu h GLU 119 Cb 0.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1ofu h GLU 119 CO -0.02 0.17 -0.01 0.28 -1.00 0.00 0.00 179.01 178.43 1ofu h VAL 120 N 0.27 0.95 -0.62 3.13 2.07 -1.03 0.16 116.25 121.17 1ofu h VAL 120 Ca 0.19 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1ofu h VAL 120 Cb 0.21 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1ofu h VAL 120 CO -0.22 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.70 1ofu h ALA 121 N 1.06 0.82 -0.24 1.67 0.00 -0.84 -0.59 119.26 121.14 1ofu h ALA 121 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ofu h ALA 121 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ofu h ALA 121 CO -0.06 -0.01 0.12 -0.22 0.00 0.00 0.00 179.25 179.08 1ofu h LYS 122 N 0.61 0.34 -0.44 0.00 3.64 -0.71 -1.56 116.57 118.46 1ofu h LYS 122 Ca 0.28 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 1ofu h LYS 122 Cb 0.19 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1ofu h LYS 122 CO -0.19 0.35 0.30 1.49 -2.27 0.00 0.00 179.45 179.13 1ofu h GLU 123 N 0.26 0.22 -0.06 1.90 4.81 -0.08 0.12 114.58 121.75 1ofu h GLU 123 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1ofu h GLU 123 Cb 0.12 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1ofu h GLU 123 CO -0.01 0.15 0.00 -1.33 -0.73 0.00 0.00 179.01 177.08 1ofu n MET 124 N -4.46 1.51 -2.47 1.92 2.81 -0.29 -4.94 117.12 111.20 1ofu n MET 124 Ca 0.06 -0.75 -0.13 0.00 -1.81 0.00 0.00 57.70 55.08 1ofu n MET 124 Cb 0.35 -1.44 0.01 0.00 -0.71 0.00 0.00 33.22 31.43 1ofu n MET 124 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ofu n GLY 125 N 1.09 -0.09 3.73 3.03 0.00 0.43 -5.01 105.19 108.37 1ofu n GLY 125 Ca 0.18 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1ofu n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ofu s ILE 126 N -2.77 5.19 0.13 -0.61 1.01 -0.66 -5.03 121.20 118.47 1ofu s ILE 126 Ca 0.09 0.11 -0.32 0.00 0.00 0.00 0.00 60.65 60.52 1ofu s ILE 126 Cb -0.04 -3.33 -0.12 0.00 0.01 0.00 0.00 42.46 38.98 1ofu s ILE 126 CO 0.11 0.49 1.76 -0.11 0.00 0.00 0.00 174.94 177.19 1ofu n LEU 127 N 3.14 3.77 -3.99 2.97 7.94 -1.23 -4.47 117.00 125.13 1ofu n LEU 127 Ca -0.17 1.02 -0.27 0.00 -1.11 0.00 0.00 56.01 55.48 1ofu n LEU 127 Cb 0.53 -1.51 -0.17 0.00 0.53 0.00 0.00 43.42 42.80 1ofu n LEU 127 CO 0.35 0.05 -0.47 -0.89 -1.11 0.00 0.00 177.39 175.32 1ofu s THR 128 N 2.13 1.27 -0.19 1.96 2.01 -1.26 -1.45 115.64 120.10 1ofu s THR 128 Ca 0.81 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1ofu s THR 128 Cb -0.55 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1ofu s THR 128 CO 0.38 0.40 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.85 1ofu s VAL 129 N 1.21 2.28 -0.03 3.82 1.01 -0.39 -0.58 120.40 127.73 1ofu s VAL 129 Ca -0.03 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 1ofu s VAL 129 Cb -0.14 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1ofu s VAL 129 CO -0.04 0.48 0.40 0.00 0.00 0.00 0.00 175.10 175.94 1ofu s ALA 130 N 1.31 3.67 -0.31 5.51 0.00 0.20 -0.88 121.76 131.26 1ofu s ALA 130 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1ofu s ALA 130 Cb -0.14 -2.40 0.09 0.00 0.00 0.00 0.00 23.12 20.68 1ofu s ALA 130 CO -0.11 0.40 0.07 0.08 0.00 0.00 0.00 175.76 176.20 1ofu s VAL 131 N -0.76 1.35 0.20 0.00 1.01 0.74 0.32 120.40 123.25 1ofu s VAL 131 Ca 0.23 -1.63 0.06 0.00 0.00 0.00 0.00 61.98 60.64 1ofu s VAL 131 Cb -0.16 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1ofu s VAL 131 CO 0.12 -0.58 -0.09 0.68 0.00 0.00 0.00 175.10 175.24 1ofu s VAL 132 N 1.39 1.40 0.15 2.92 -7.23 -0.49 -3.03 120.40 115.52 1ofu s VAL 132 Ca 0.08 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.20 1ofu s VAL 132 Cb -0.18 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 1ofu s VAL 132 CO -0.18 -0.54 0.01 0.42 -0.31 0.00 0.00 175.10 174.51 1ofu s THR 133 N -3.18 3.84 -0.08 5.32 -4.23 -0.99 0.07 115.64 116.38 1ofu s THR 133 Ca 0.23 -1.29 -0.04 0.00 -1.18 0.00 0.00 61.69 59.40 1ofu s THR 133 Cb 0.02 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 1ofu s THR 133 CO 0.06 -0.05 0.11 -0.13 -0.54 0.00 0.00 174.62 174.06 1ofu s ARG 134 N -2.79 3.28 0.85 3.99 0.52 -0.65 -2.05 118.95 122.10 1ofu s ARG 134 Ca 0.27 -0.27 -0.14 0.00 -0.52 0.00 0.00 55.73 55.07 1ofu s ARG 134 Cb -0.10 -3.04 0.01 0.00 0.52 0.00 0.00 34.95 32.34 1ofu s ARG 134 CO 0.19 0.73 0.52 -2.30 0.02 0.00 0.00 175.30 174.46 1ofu n PRO 135 N 1.78 -0.01 -2.48 3.54 -0.02 -1.25 -1.91 135.00 134.64 1ofu n PRO 135 Ca -0.18 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.02 1ofu n PRO 135 Cb 0.54 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 1ofu n PRO 135 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ofu s PHE 136 N -2.18 3.06 0.49 6.00 0.40 -1.26 -4.43 117.98 120.06 1ofu s PHE 136 Ca 0.62 1.56 0.18 0.00 -0.60 0.00 0.00 56.93 58.69 1ofu s PHE 136 Cb -0.27 -3.01 1.21 0.00 0.51 0.00 0.00 43.02 41.45 1ofu s PHE 136 CO 0.62 -0.77 2.03 -1.00 0.70 0.00 0.00 175.22 176.80 1ofu h PRO 137 N 1.37 0.17 0.00 0.24 0.13 -1.93 -0.61 132.00 131.37 1ofu h PRO 137 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ofu h PRO 137 Cb 1.21 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ofu h PRO 137 CO 0.59 0.11 0.00 1.97 -0.23 0.00 0.00 178.00 180.44 1ofu n PHE 138 N -4.45 0.00 0.94 1.56 1.16 -1.26 -2.43 117.46 112.98 1ofu n PHE 138 Ca 0.06 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.78 1ofu n PHE 138 Cb 0.37 -0.42 0.45 0.00 -1.61 0.00 0.00 39.48 38.28 1ofu n PHE 138 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1ofu n GLU 139 N -1.42 0.04 0.00 3.97 1.02 -0.24 -5.03 120.64 118.98 1ofu n GLU 139 Ca 0.04 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1ofu n GLU 139 Cb 0.12 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1ofu n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ofu n GLY 140 N 1.47 2.39 0.28 0.62 0.00 -1.02 -4.57 105.19 104.38 1ofu n GLY 140 Ca 0.06 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 1ofu n GLY 140 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ofu h ARG 141 N 0.00 0.93 -0.24 1.61 2.43 -1.95 -2.85 114.38 114.31 1ofu h ARG 141 Ca 0.00 -0.35 0.06 0.00 -0.81 0.00 0.00 59.98 58.88 1ofu h ARG 141 Cb 0.00 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 1ofu h ARG 141 CO 0.00 1.01 -0.19 -0.22 -1.51 0.00 0.00 179.97 179.06 1ofu h LYS 142 N 0.83 -0.18 -0.39 0.20 1.63 -2.00 0.19 116.57 116.85 1ofu h LYS 142 Ca 0.13 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.85 1ofu h LYS 142 Cb 0.68 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.33 1ofu h LYS 142 CO 0.05 -0.12 -0.13 0.00 -3.45 0.00 0.00 179.45 175.80 1ofu h ARG 143 N -0.18 0.70 -0.36 1.90 3.08 -1.79 -1.40 114.38 116.32 1ofu h ARG 143 Ca 0.13 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1ofu h ARG 143 Cb 0.39 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1ofu h ARG 143 CO -0.35 0.80 -0.00 1.98 -1.07 0.00 0.00 179.97 181.33 1ofu h MET 144 N 0.63 0.57 -0.19 0.04 4.05 -1.14 0.16 114.93 119.05 1ofu h MET 144 Ca 0.11 -0.13 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 1ofu h MET 144 Cb 0.59 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1ofu h MET 144 CO 0.04 0.59 -0.14 1.96 0.23 0.00 0.00 176.91 179.59 1ofu h GLN 145 N 0.54 0.43 -0.49 0.39 4.20 -0.55 -1.06 115.11 118.57 1ofu h GLN 145 Ca 0.11 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1ofu h GLN 145 Cb 0.35 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1ofu h GLN 145 CO 0.01 0.76 0.27 0.82 -0.67 0.00 0.00 178.83 180.02 1ofu h ILE 146 N 0.10 1.17 -0.24 2.54 2.04 -0.92 -1.74 117.51 120.46 1ofu h ILE 146 Ca 0.04 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1ofu h ILE 146 Cb 0.66 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1ofu h ILE 146 CO 0.04 0.18 0.14 0.00 0.00 0.00 0.00 178.15 178.51 1ofu h ALA 147 N 1.11 0.30 -0.92 1.87 0.00 -0.61 -0.15 119.26 120.87 1ofu h ALA 147 Ca 0.17 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ofu h ALA 147 Cb 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1ofu h ALA 147 CO -0.03 -0.25 0.59 -0.44 0.00 0.00 0.00 179.25 179.12 1ofu h ASP 148 N 0.29 0.97 -0.13 0.00 3.32 -0.89 0.11 116.42 120.09 1ofu h ASP 148 Ca 0.09 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1ofu h ASP 148 Cb -0.01 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 1ofu h ASP 148 CO -0.04 0.65 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.03 1ofu h GLU 149 N 1.12 0.23 -0.77 3.56 4.57 -0.88 -1.68 114.58 120.73 1ofu h GLU 149 Ca 0.38 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1ofu h GLU 149 Cb 0.06 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 1ofu h GLU 149 CO -0.14 0.49 0.50 0.78 -1.18 0.00 0.00 179.01 179.46 1ofu h GLY 150 N -0.06 1.08 1.26 1.92 0.00 -0.61 -1.01 103.07 105.65 1ofu h GLY 150 Ca 0.03 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1ofu h GLY 150 CO 0.01 0.40 -0.03 -2.22 0.00 0.00 0.00 176.54 174.70 1ofu h ILE 151 N 1.04 1.26 -0.51 2.60 2.04 -0.63 0.67 117.51 123.98 1ofu h ILE 151 Ca 0.28 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 1ofu h ILE 151 Cb -0.11 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1ofu h ILE 151 CO -0.06 0.39 0.03 -0.09 0.00 0.00 0.00 178.15 178.42 1ofu h ARG 152 N 0.82 0.88 -0.16 2.37 1.12 -0.60 -0.96 114.38 117.83 1ofu h ARG 152 Ca 0.15 -0.26 -0.09 0.00 -1.11 0.00 0.00 59.98 58.66 1ofu h ARG 152 Cb 0.53 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 1ofu h ARG 152 CO 0.03 0.89 -0.31 0.00 -3.11 0.00 0.00 179.97 177.47 1ofu h ALA 153 N 0.95 1.17 -0.29 2.80 0.00 -0.89 -3.13 119.26 119.88 1ofu h ALA 153 Ca 0.15 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1ofu h ALA 153 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ofu h ALA 153 CO 0.02 0.54 -0.21 1.25 0.00 0.00 0.00 179.25 180.85 1ofu h LEU 154 N 0.28 0.68 -2.13 0.00 5.85 -0.45 -3.05 115.31 116.49 1ofu h LEU 154 Ca 0.04 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1ofu h LEU 154 Cb 0.69 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1ofu h LEU 154 CO 0.05 0.98 0.09 0.00 -0.34 0.00 0.00 178.44 179.22 1ofu h ALA 155 N 0.73 1.08 0.00 1.25 0.00 -1.12 -1.36 119.26 119.83 1ofu h ALA 155 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ofu h ALA 155 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ofu h ALA 155 CO 0.06 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.62 1ofu n GLU 156 N -2.69 0.15 -0.04 0.00 1.02 -1.15 -4.11 120.64 113.82 1ofu n GLU 156 Ca -0.02 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1ofu n GLU 156 Cb 0.14 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1ofu n GLU 156 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ofu n SER 157 N -1.97 0.37 -4.58 1.62 3.41 -0.52 -5.07 113.62 106.88 1ofu n SER 157 Ca 0.05 -1.27 -0.29 0.00 -0.26 0.00 0.00 58.87 57.10 1ofu n SER 157 Cb 0.34 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 1ofu n SER 157 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1ofu s VAL 158 N -0.21 3.35 -0.01 -3.33 -7.23 -1.16 -4.56 120.40 107.25 1ofu s VAL 158 Ca 0.01 -1.39 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 1ofu s VAL 158 Cb 0.00 -2.61 -0.19 0.00 0.56 0.00 0.00 36.38 34.15 1ofu s VAL 158 CO 0.00 0.03 1.21 0.44 -0.31 0.00 0.00 175.10 176.46 1ofu h ASP 159 N 3.32 0.22 -3.68 4.85 5.19 -1.13 -3.43 116.42 121.76 1ofu h ASP 159 Ca -0.48 -0.59 -0.38 0.00 -0.62 0.00 0.00 57.03 54.95 1ofu h ASP 159 Cb 1.18 -0.06 -0.32 0.00 0.18 0.00 0.00 39.33 40.31 1ofu h ASP 159 CO 0.53 0.77 -0.77 -0.44 -3.12 0.00 0.00 179.24 176.22 1ofu s SER 160 N -6.08 0.86 -0.42 6.45 0.01 -1.06 -0.65 113.70 112.82 1ofu s SER 160 Ca -0.15 -0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.01 1ofu s SER 160 Cb 0.03 -0.29 0.11 0.00 0.21 0.00 0.00 66.02 66.08 1ofu s SER 160 CO 0.73 0.01 0.15 -0.22 0.41 0.00 0.00 173.24 174.32 1ofu s LEU 161 N 0.44 4.74 -0.17 2.44 2.96 0.51 -0.63 118.68 128.97 1ofu s LEU 161 Ca -0.06 -2.42 -0.29 0.00 -0.22 0.00 0.00 54.13 51.14 1ofu s LEU 161 Cb -0.09 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 1ofu s LEU 161 CO 0.00 -0.36 1.02 -0.63 -1.32 0.00 0.00 176.35 175.06 1ofu s ILE 162 N 0.55 4.73 -0.16 6.68 1.01 0.15 -0.86 121.20 133.30 1ofu s ILE 162 Ca 0.13 2.03 -0.05 0.00 0.00 0.00 0.00 60.65 62.76 1ofu s ILE 162 Cb -0.21 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 1ofu s ILE 162 CO -0.05 -0.09 0.01 -0.89 0.00 0.00 0.00 174.94 173.91 1ofu s THR 163 N 2.66 4.30 -0.39 2.92 2.01 -0.64 -1.39 115.64 125.11 1ofu s THR 163 Ca 0.46 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.28 1ofu s THR 163 Cb -0.16 -2.89 0.11 0.00 0.01 0.00 0.00 72.50 69.56 1ofu s THR 163 CO 0.11 0.50 0.11 -0.63 -0.69 0.00 0.00 174.62 174.02 1ofu s ILE 164 N 0.18 2.42 -0.34 1.82 1.01 0.11 -4.69 121.20 121.71 1ofu s ILE 164 Ca 0.01 -2.56 -0.29 0.00 0.00 0.00 0.00 60.65 57.81 1ofu s ILE 164 Cb -0.13 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.58 1ofu s ILE 164 CO 0.02 -0.65 1.50 -2.16 0.00 0.00 0.00 174.94 173.65 1ofu s PRO 165 N 0.64 3.64 0.58 2.79 0.04 -1.26 -1.64 135.00 139.79 1ofu s PRO 165 Ca 0.12 1.23 0.29 0.00 0.04 0.00 0.00 61.00 62.68 1ofu s PRO 165 Cb -0.21 -4.03 1.50 0.00 0.04 0.00 0.00 34.50 31.80 1ofu s PRO 165 CO -0.06 -1.48 1.94 -0.91 0.04 0.00 0.00 177.00 176.53 1ofu h ASN 166 N 10.83 0.00 -0.94 6.66 2.35 -1.60 0.91 115.58 133.80 1ofu h ASN 166 Ca -0.30 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1ofu h ASN 166 Cb 1.12 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.42 1ofu h ASN 166 CO 1.05 0.00 0.57 -0.08 -1.65 0.00 0.00 177.43 177.32 1ofu h GLU 167 N 0.00 0.91 0.00 0.81 4.57 -1.80 0.24 114.58 119.30 1ofu h GLU 167 Ca 0.21 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1ofu h GLU 167 Cb 1.08 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 1ofu h GLU 167 CO -0.00 0.60 -0.24 0.87 -1.18 0.00 0.00 179.01 179.05 1ofu h LYS 168 N 0.93 0.00 -0.03 1.92 1.79 -1.17 -2.39 116.57 117.62 1ofu h LYS 168 Ca 0.46 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.90 1ofu h LYS 168 Cb 0.42 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1ofu h LYS 168 CO -0.25 0.24 -0.12 -0.07 -1.08 0.00 0.00 179.45 178.17 1ofu h LEU 169 N 0.00 0.04 -0.75 2.94 3.38 -1.01 -1.68 115.31 118.24 1ofu h LEU 169 Ca -0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1ofu h LEU 169 Cb 0.46 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1ofu h LEU 169 CO 0.03 0.17 -0.17 -0.07 0.09 0.00 0.00 178.44 178.49 1ofu h LEU 170 N 0.04 0.77 0.11 1.67 4.07 -1.37 0.83 115.31 121.43 1ofu h LEU 170 Ca 0.01 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 1ofu h LEU 170 Cb 0.24 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1ofu h LEU 170 CO 0.02 0.95 -0.05 0.74 -1.08 0.00 0.00 178.44 179.01 1ofu h THR 171 N 0.69 0.97 -0.27 0.22 2.02 -1.38 0.16 112.91 115.32 1ofu h THR 171 Ca 0.10 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 67.02 1ofu h THR 171 Cb 0.67 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 1ofu h THR 171 CO 0.05 0.07 0.05 0.40 0.37 0.00 0.00 175.52 176.46 1ofu h ILE 172 N -0.29 0.87 -0.46 3.11 2.04 -1.22 -3.00 117.51 118.56 1ofu h ILE 172 Ca -0.02 -0.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 1ofu h ILE 172 Cb 0.24 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1ofu h ILE 172 CO 0.03 0.03 -0.10 -0.07 0.00 0.00 0.00 178.15 178.04 1ofu h LEU 173 N 0.15 0.88 0.00 1.44 3.38 -0.70 -3.48 115.31 116.98 1ofu h LEU 173 Ca 0.13 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ofu h LEU 173 Cb 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ofu h LEU 173 CO -0.17 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1ofu n GLY 174 N -0.23 3.06 0.27 0.83 0.00 0.53 -2.27 105.19 107.39 1ofu n GLY 174 Ca -0.00 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1ofu n GLY 174 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ofu h LYS 175 N 0.00 0.00 0.00 1.61 3.11 -1.92 -1.86 116.57 117.51 1ofu h LYS 175 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ofu h LYS 175 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1ofu h LYS 175 CO 0.00 0.09 0.00 -0.25 -2.81 0.00 0.00 179.45 176.48 1ofu n ASP 176 N -3.80 0.00 -4.78 4.20 10.43 -0.96 -4.84 116.55 116.80 1ofu n ASP 176 Ca -0.02 -1.71 -0.37 0.00 2.57 0.00 0.00 54.79 55.25 1ofu n ASP 176 Cb 0.19 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 43.11 1ofu n ASP 176 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ofu s ALA 177 N -2.00 3.18 0.20 2.24 0.00 -0.70 -4.87 121.76 119.81 1ofu s ALA 177 Ca 0.03 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.43 1ofu s ALA 177 Cb 0.01 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.93 1ofu s ALA 177 CO 0.02 -0.07 0.79 -1.54 0.00 0.00 0.00 175.76 174.96 1ofu s SER 178 N -1.48 -0.29 0.08 0.00 1.04 -1.26 -5.00 113.70 106.80 1ofu s SER 178 Ca 0.53 -0.41 -0.23 0.00 0.48 0.00 0.00 55.95 56.31 1ofu s SER 178 Cb -0.22 0.61 -0.15 0.00 0.10 0.00 0.00 66.02 66.35 1ofu s SER 178 CO 0.28 -1.10 1.71 0.25 0.98 0.00 0.00 173.24 175.36 1ofu h LEU 179 N 2.00 -0.01 -0.57 2.42 7.12 -2.00 -0.26 115.31 124.02 1ofu h LEU 179 Ca -0.23 -0.03 -0.03 0.00 0.13 0.00 0.00 57.88 57.73 1ofu h LEU 179 Cb 1.25 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.36 1ofu h LEU 179 CO 0.26 0.02 0.25 -0.07 -0.13 0.00 0.00 178.44 178.78 1ofu h LEU 180 N -0.03 0.76 -0.98 2.25 -0.00 -1.99 -2.97 115.31 112.35 1ofu h LEU 180 Ca -0.00 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.88 57.65 1ofu h LEU 180 Cb 0.03 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 1ofu h LEU 180 CO 0.00 0.70 -0.16 0.00 -0.00 0.00 0.00 178.44 178.99 1ofu h ALA 181 N 1.09 1.14 -0.08 1.53 0.00 -1.86 -1.90 119.26 119.18 1ofu h ALA 181 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ofu h ALA 181 Cb 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ofu h ALA 181 CO -0.02 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.82 1ofu h ALA 182 N 1.32 0.10 0.00 0.00 0.00 -0.88 0.64 119.26 120.45 1ofu h ALA 182 Ca 0.09 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1ofu h ALA 182 Cb 0.57 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ofu h ALA 182 CO 0.04 -0.39 -0.53 0.74 0.00 0.00 0.00 179.25 179.10 1ofu h PHE 183 N 0.09 0.00 -0.36 0.00 -1.00 -1.53 -2.07 116.94 112.07 1ofu h PHE 183 Ca 0.03 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.71 1ofu h PHE 183 Cb 0.01 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 1ofu h PHE 183 CO -0.07 0.53 -0.18 0.00 -1.61 0.00 0.00 178.31 176.98 1ofu h ALA 184 N 1.47 1.01 -0.38 2.45 0.00 -1.09 -0.93 119.26 121.78 1ofu h ALA 184 Ca -0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1ofu h ALA 184 Cb 1.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1ofu h ALA 184 CO 0.07 0.59 -0.18 -0.22 0.00 0.00 0.00 179.25 179.51 1ofu h LYS 185 N 0.60 0.79 -0.33 0.00 3.11 -0.66 -1.87 116.57 118.21 1ofu h LYS 185 Ca 0.09 -0.35 0.02 0.00 -2.81 0.00 0.00 60.65 57.61 1ofu h LYS 185 Cb 0.65 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.83 1ofu h LYS 185 CO 0.05 0.97 0.16 0.00 -2.81 0.00 0.00 179.45 177.82 1ofu h ALA 186 N 0.80 0.41 -0.13 5.00 0.00 -0.94 0.30 119.26 124.70 1ofu h ALA 186 Ca 0.09 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ofu h ALA 186 Cb 0.73 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1ofu h ALA 186 CO 0.05 -0.21 -0.11 -0.44 0.00 0.00 0.00 179.25 178.54 1ofu h ASP 187 N 0.34 -0.36 -0.95 0.00 3.45 -1.00 -1.48 116.42 116.43 1ofu h ASP 187 Ca 0.14 0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.67 1ofu h ASP 187 Cb 0.05 0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 38.96 1ofu h ASP 187 CO -0.10 -0.15 0.58 -0.78 -1.57 0.00 0.00 179.24 177.22 1ofu h ASP 188 N -0.13 1.14 -0.38 6.45 1.82 -0.90 -1.20 116.42 123.21 1ofu h ASP 188 Ca 0.09 -0.06 -0.06 0.00 -0.39 0.00 0.00 57.03 56.60 1ofu h ASP 188 Cb 0.26 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 1ofu h ASP 188 CO -0.21 0.87 0.01 0.58 -1.61 0.00 0.00 179.24 178.87 1ofu h VAL 189 N 1.31 1.26 -0.85 2.25 2.07 -0.67 -1.04 116.25 120.57 1ofu h VAL 189 Ca 0.34 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1ofu h VAL 189 Cb -0.07 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1ofu h VAL 189 CO -0.07 0.33 0.55 -0.07 0.02 0.00 0.00 177.57 178.34 1ofu h LEU 190 N 0.50 0.99 -0.81 2.57 3.38 -0.92 -1.35 115.31 119.66 1ofu h LEU 190 Ca 0.11 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1ofu h LEU 190 Cb 0.46 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1ofu h LEU 190 CO 0.02 0.73 -0.03 0.00 0.09 0.00 0.00 178.44 179.24 1ofu h ALA 191 N 1.45 1.00 -0.38 1.53 0.00 -0.96 -2.35 119.26 119.55 1ofu h ALA 191 Ca 0.31 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ofu h ALA 191 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1ofu h ALA 191 CO -0.07 0.61 -0.07 0.78 0.00 0.00 0.00 179.25 180.51 1ofu h GLY 192 N 0.98 0.70 0.75 0.00 0.00 -0.15 0.14 103.07 105.50 1ofu h GLY 192 Ca 0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1ofu h GLY 192 CO 0.03 0.44 -0.11 0.00 0.00 0.00 0.00 176.54 176.90 1ofu h ALA 193 N 1.33 -0.31 -0.58 3.60 0.00 -1.01 0.16 119.26 122.45 1ofu h ALA 193 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ofu h ALA 193 Cb 0.48 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ofu h ALA 193 CO 0.02 -0.55 0.31 0.28 0.00 0.00 0.00 179.25 179.32 1ofu h VAL 194 N -0.56 1.19 -0.36 0.00 2.07 -1.31 -2.69 116.25 114.59 1ofu h VAL 194 Ca -0.03 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1ofu h VAL 194 Cb 0.41 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1ofu h VAL 194 CO 0.05 0.21 0.12 -0.09 0.02 0.00 0.00 177.57 177.88 1ofu h ARG 195 N 0.79 0.56 -0.88 1.57 2.43 -0.68 0.36 114.38 118.53 1ofu h ARG 195 Ca 0.20 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1ofu h ARG 195 Cb 0.06 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 1ofu h ARG 195 CO -0.03 0.58 0.55 0.78 -1.51 0.00 0.00 179.97 180.33 1ofu h GLY 196 N 0.44 1.34 0.00 2.80 0.00 -0.51 -0.67 103.07 106.48 1ofu h GLY 196 Ca 0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1ofu h GLY 196 CO -0.00 0.25 -0.12 -2.22 0.00 0.00 0.00 176.54 174.45 1ofu h ILE 197 N 0.98 1.30 -1.00 2.60 2.04 -1.42 -3.31 117.51 118.70 1ofu h ILE 197 Ca 0.39 -2.01 0.11 0.00 1.00 0.00 0.00 64.86 64.35 1ofu h ILE 197 Cb 0.21 2.49 -0.08 0.00 -0.74 0.00 0.00 36.82 38.70 1ofu h ILE 197 CO -0.19 0.44 0.63 0.28 0.00 0.00 0.00 178.15 179.32 1ofu h SER 198 N -1.00 0.94 -0.72 1.72 0.02 -0.89 -2.06 113.55 111.56 1ofu h SER 198 Ca -0.03 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1ofu h SER 198 Cb 0.80 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 1ofu h SER 198 CO -0.02 0.53 0.37 0.44 -1.14 0.00 0.00 176.83 177.01 1ofu h ASP 199 N 1.03 0.94 -0.45 3.07 3.32 -1.27 0.38 116.42 123.44 1ofu h ASP 199 Ca 0.48 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.42 1ofu h ASP 199 Cb 0.41 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1ofu h ASP 199 CO -0.24 0.78 0.23 0.40 -1.72 0.00 0.00 179.24 178.70 1ofu h ILE 200 N 1.04 1.16 0.19 0.35 1.08 -1.46 0.27 117.51 120.15 1ofu h ILE 200 Ca 0.26 -0.46 -0.28 0.00 -0.39 0.00 0.00 64.86 63.99 1ofu h ILE 200 Cb 0.08 0.55 0.02 0.00 -3.07 0.00 0.00 36.82 34.40 1ofu h ILE 200 CO -0.04 0.19 -1.28 0.40 -0.69 0.00 0.00 178.15 176.74 1ofu h ILE 201 N 0.67 1.28 0.01 -0.67 2.04 -1.24 -3.34 117.51 116.26 1ofu h ILE 201 Ca 0.17 -2.58 -0.31 0.00 1.00 0.00 0.00 64.86 63.14 1ofu h ILE 201 Cb 0.07 3.02 -0.05 0.00 -0.74 0.00 0.00 36.82 39.11 1ofu h ILE 201 CO -0.02 0.77 -1.88 0.29 0.00 0.00 0.00 178.15 177.31 1ofu n LYS 202 N -3.88 0.65 -2.57 2.37 4.76 0.13 -4.63 118.16 114.99 1ofu n LYS 202 Ca -0.18 0.23 -0.12 0.00 -2.87 0.00 0.00 58.31 55.37 1ofu n LYS 202 Cb 0.97 -1.73 0.03 0.00 -1.84 0.00 0.00 35.03 32.47 1ofu n LYS 202 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ofu n ARG 203 N -3.00 2.20 -1.87 1.97 1.74 0.95 -5.00 116.66 113.65 1ofu n ARG 203 Ca -0.21 -3.73 -0.40 0.00 -0.77 0.00 0.00 57.85 52.74 1ofu n ARG 203 Cb 1.07 -1.73 0.01 0.00 -1.02 0.00 0.00 32.46 30.79 1ofu n ARG 203 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ofu s PRO 204 N -3.52 3.89 0.02 5.56 0.04 -1.17 -4.45 135.00 135.37 1ofu s PRO 204 Ca 0.35 2.40 0.21 0.00 0.04 0.00 0.00 61.00 64.00 1ofu s PRO 204 Cb 0.39 -2.79 -0.21 0.00 0.04 0.00 0.00 34.50 31.94 1ofu s PRO 204 CO -0.03 -0.64 0.61 0.41 0.04 0.00 0.00 177.00 177.40 1ofu n GLY 205 N 0.58 -1.15 3.80 0.56 0.00 0.17 -4.90 105.19 104.25 1ofu n GLY 205 Ca 0.03 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 1ofu n GLY 205 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ofu s MET 206 N -3.22 2.34 -0.06 1.61 -1.94 -1.25 -4.98 119.30 111.81 1ofu s MET 206 Ca -0.06 -1.74 0.14 0.00 -1.71 0.00 0.00 55.69 52.32 1ofu s MET 206 Cb 0.11 -2.13 0.43 0.00 2.01 0.00 0.00 34.83 35.25 1ofu s MET 206 CO 0.85 -0.18 1.36 0.44 -0.01 0.00 0.00 175.02 177.48 1ofu n ILE 207 N -1.39 1.46 0.52 2.53 -5.35 -1.26 -4.60 119.36 111.27 1ofu n ILE 207 Ca 0.01 -1.27 0.12 0.00 -0.27 0.00 0.00 62.75 61.34 1ofu n ILE 207 Cb 0.64 0.25 0.21 0.00 -1.74 0.00 0.00 39.64 39.00 1ofu n ILE 207 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ofu h ASN 208 N 2.30 0.00 -3.31 7.28 -1.07 -1.96 -3.44 115.58 115.38 1ofu h ASN 208 Ca 0.00 -0.13 -0.62 0.00 0.07 0.00 0.00 56.30 55.63 1ofu h ASN 208 Cb 1.03 0.00 -0.36 0.00 -2.07 0.00 0.00 38.32 36.91 1ofu h ASN 208 CO 0.09 0.06 -0.82 -0.69 0.07 0.00 0.00 177.43 176.14 1ofu s VAL 209 N -3.17 1.65 0.43 6.14 1.01 -1.26 -5.03 120.40 120.16 1ofu s VAL 209 Ca 0.07 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.23 1ofu s VAL 209 Cb 0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1ofu s VAL 209 CO 0.69 0.28 0.26 1.51 0.00 0.00 0.00 175.10 177.85 1ofu s ASP 210 N 1.42 4.65 0.30 3.32 1.47 -1.26 -4.95 116.67 121.61 1ofu s ASP 210 Ca 0.01 -0.99 0.06 0.00 1.18 0.00 0.00 52.55 52.80 1ofu s ASP 210 Cb -0.15 -0.41 0.77 0.00 -0.34 0.00 0.00 42.92 42.79 1ofu s ASP 210 CO -0.09 -0.64 1.73 0.15 0.68 0.00 0.00 175.17 177.00 1ofu h PHE 211 N 1.23 0.86 -0.81 2.11 -0.00 -1.91 0.24 116.94 118.65 1ofu h PHE 211 Ca -0.42 0.04 0.04 0.00 -0.00 0.00 0.00 57.97 57.63 1ofu h PHE 211 Cb 1.26 -0.23 -0.05 0.00 -0.00 0.00 0.00 35.95 36.93 1ofu h PHE 211 CO 0.64 0.06 0.54 0.00 -0.00 0.00 0.00 178.31 179.54 1ofu h ALA 212 N 1.69 1.52 -0.34 2.41 0.00 -1.99 0.19 119.26 122.74 1ofu h ALA 212 Ca 0.58 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.37 1ofu h ALA 212 Cb 1.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1ofu h ALA 212 CO -0.47 0.39 -0.17 -0.44 0.00 0.00 0.00 179.25 178.56 1ofu h ASP 213 N 0.99 0.62 -0.27 0.00 3.32 -0.92 -0.88 116.42 119.28 1ofu h ASP 213 Ca 0.33 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 1ofu h ASP 213 Cb 0.07 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1ofu h ASP 213 CO -0.10 0.80 -0.39 0.58 -1.72 0.00 0.00 179.24 178.40 1ofu h VAL 214 N 0.56 1.30 -0.87 -1.35 2.07 -0.87 -2.83 116.25 114.25 1ofu h VAL 214 Ca 0.09 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.04 1ofu h VAL 214 Cb 0.61 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1ofu h VAL 214 CO 0.04 0.51 0.58 0.50 0.02 0.00 0.00 177.57 179.22 1ofu h LYS 215 N 0.49 1.13 -0.73 1.57 3.64 -0.75 -1.29 116.57 120.63 1ofu h LYS 215 Ca 0.03 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1ofu h LYS 215 Cb 0.99 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1ofu h LYS 215 CO 0.09 0.74 0.37 1.15 -2.27 0.00 0.00 179.45 179.54 1ofu h THR 216 N 1.16 1.22 0.00 1.00 2.02 -0.97 0.55 112.91 117.89 1ofu h THR 216 Ca 0.33 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1ofu h THR 216 Cb -0.10 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1ofu h THR 216 CO -0.08 0.26 -0.54 1.33 0.37 0.00 0.00 175.52 176.86 1ofu n VAL 217 N -4.34 0.33 -0.11 3.16 0.24 -0.90 -4.33 118.33 112.37 1ofu n VAL 217 Ca 0.07 -0.24 -0.16 0.00 -2.04 0.00 0.00 64.34 61.97 1ofu n VAL 217 Cb 0.12 -0.14 -0.10 0.00 -1.47 0.00 0.00 33.84 32.25 1ofu n VAL 217 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1ofu n MET 218 N -2.04 0.57 -1.71 7.34 2.00 -0.54 -4.70 117.12 118.05 1ofu n MET 218 Ca 0.04 0.14 -0.43 0.00 0.00 0.00 0.00 57.70 57.44 1ofu n MET 218 Cb 0.42 -1.45 -0.03 0.00 0.00 0.00 0.00 33.22 32.17 1ofu n MET 218 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ofu n SER 219 N -3.21 3.62 -4.19 7.83 2.88 0.19 -3.27 113.62 117.46 1ofu n SER 219 Ca -0.41 1.09 -0.30 0.00 -1.33 0.00 0.00 58.87 57.93 1ofu n SER 219 Cb 0.92 -1.53 -0.07 0.00 -0.75 0.00 0.00 64.21 62.79 1ofu n SER 219 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ofu n GLU 220 N 3.26 -1.85 -0.09 -1.46 -0.58 -1.25 -4.86 120.64 113.81 1ofu n GLU 220 Ca 0.14 0.21 -0.10 0.00 -0.42 0.00 0.00 57.16 56.99 1ofu n GLU 220 Cb 0.33 -4.01 -0.12 0.00 -0.57 0.00 0.00 31.44 27.07 1ofu n GLU 220 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1ofu n MET 221 N -4.50 1.04 0.00 3.49 1.56 -0.07 -5.02 117.12 113.63 1ofu n MET 221 Ca -0.29 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.17 1ofu n MET 221 Cb 0.68 -1.43 0.00 0.00 2.15 0.00 0.00 33.22 34.62 1ofu n MET 221 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ofu n GLY 222 N 2.14 1.01 3.76 -5.12 0.00 0.18 -3.37 105.19 103.78 1ofu n GLY 222 Ca -0.30 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 1ofu n GLY 222 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ofu s MET 223 N 0.00 3.45 0.18 1.61 -1.94 -1.26 -0.37 119.30 120.97 1ofu s MET 223 Ca 0.00 1.89 -0.10 0.00 -1.71 0.00 0.00 55.69 55.77 1ofu s MET 223 Cb 0.00 -2.26 -0.00 0.00 2.01 0.00 0.00 34.83 34.57 1ofu s MET 223 CO 0.00 -0.84 0.33 0.00 -0.01 0.00 0.00 175.02 174.50 1ofu s ALA 224 N -1.51 -0.11 0.06 3.03 0.00 -0.04 -1.76 121.76 121.42 1ofu s ALA 224 Ca 0.68 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 51.64 1ofu s ALA 224 Cb -0.31 0.89 0.04 0.00 0.00 0.00 0.00 23.12 23.74 1ofu s ALA 224 CO 0.37 -0.69 0.43 -1.64 0.00 0.00 0.00 175.76 174.23 1ofu s MET 225 N -3.97 0.97 0.20 0.00 -1.94 -0.68 -1.62 119.30 112.25 1ofu s MET 225 Ca 0.17 -0.41 0.03 0.00 -1.71 0.00 0.00 55.69 53.78 1ofu s MET 225 Cb 0.02 0.43 -0.05 0.00 2.01 0.00 0.00 34.83 37.25 1ofu s MET 225 CO 0.01 -0.34 -0.02 0.00 -0.01 0.00 0.00 175.02 174.66 1ofu s MET 226 N -2.72 1.21 -0.04 2.03 0.23 -1.26 -0.45 119.30 118.31 1ofu s MET 226 Ca -0.04 -1.59 -0.07 0.00 -1.03 0.00 0.00 55.69 52.97 1ofu s MET 226 Cb -0.00 -0.48 0.01 0.00 -1.53 0.00 0.00 34.83 32.83 1ofu s MET 226 CO -0.04 -0.08 0.16 0.20 -2.03 0.00 0.00 175.02 173.23 1ofu s GLY 227 N -3.23 -0.06 0.12 3.16 0.00 -0.31 -3.89 107.32 103.10 1ofu s GLY 227 Ca 0.25 0.23 0.06 0.00 0.00 0.00 0.00 44.72 45.25 1ofu s GLY 227 CO 0.06 0.12 -0.13 -0.51 0.00 0.00 0.00 173.10 172.64 1ofu s THR 228 N -0.57 1.27 0.08 0.90 -4.23 -1.26 -0.90 115.64 110.93 1ofu s THR 228 Ca -0.07 -1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 58.51 1ofu s THR 228 Cb -0.04 -1.50 0.06 0.00 1.34 0.00 0.00 72.50 72.36 1ofu s THR 228 CO 0.01 -0.43 0.57 -0.83 -0.54 0.00 0.00 174.62 173.39 1ofu s GLY 229 N -2.44 -0.51 0.02 3.99 0.00 -0.50 -4.02 107.32 103.87 1ofu s GLY 229 Ca 0.08 0.63 -0.13 0.00 0.00 0.00 0.00 44.72 45.30 1ofu s GLY 229 CO 0.03 0.31 0.27 0.00 0.00 0.00 0.00 173.10 173.71 1ofu s ALA 231 N -2.16 -1.14 0.18 0.00 0.00 -0.66 -4.60 121.76 113.38 1ofu s ALA 231 Ca -0.08 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.85 1ofu s ALA 231 Cb -0.02 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 1ofu s ALA 231 CO -0.01 -0.83 -0.05 0.45 0.00 0.00 0.00 175.76 175.32 1ofu s SER 232 N -2.85 1.69 0.00 0.00 0.15 -1.26 -0.99 113.70 110.44 1ofu s SER 232 Ca 0.08 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.61 1ofu s SER 232 Cb -0.02 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1ofu s SER 232 CO -0.04 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1ofu n GLY 233 N -0.29 -3.14 0.40 9.45 0.00 -1.25 -4.25 105.19 106.12 1ofu n GLY 233 Ca -0.08 -1.91 0.20 0.00 0.00 0.00 0.00 46.02 44.23 1ofu n GLY 233 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ofu h PRO 234 N 0.00 0.42 -0.27 1.61 0.11 -2.00 -2.44 132.00 129.43 1ofu h PRO 234 Ca 0.00 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 1ofu h PRO 234 Cb 0.00 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 30.97 1ofu h PRO 234 CO 0.00 0.28 -0.03 0.09 -0.21 0.00 0.00 178.00 178.13 1ofu n ASN 235 N -4.57 3.19 -0.30 -2.05 4.13 -1.26 -4.77 115.26 109.63 1ofu n ASN 235 Ca 0.22 -3.32 0.12 0.00 1.68 0.00 0.00 54.58 53.28 1ofu n ASN 235 Cb 0.76 -0.57 0.36 0.00 -1.54 0.00 0.00 39.78 38.79 1ofu n ASN 235 CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 1ofu h ARG 236 N 1.31 0.71 -0.19 3.52 0.11 -1.61 -1.34 114.38 116.88 1ofu h ARG 236 Ca 0.09 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.12 1ofu h ARG 236 Cb 1.49 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.40 1ofu h ARG 236 CO 0.27 0.47 0.11 0.00 0.10 0.00 0.00 179.97 180.92 1ofu h ALA 237 N 1.60 0.25 -0.22 0.08 0.00 -1.86 0.44 119.26 119.54 1ofu h ALA 237 Ca 0.48 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 1ofu h ALA 237 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ofu h ALA 237 CO -0.24 -0.23 -0.42 -0.09 0.00 0.00 0.00 179.25 178.27 1ofu h ARG 238 N 0.21 0.67 -0.74 0.00 2.43 -1.83 -2.62 114.38 112.50 1ofu h ARG 238 Ca 0.07 -0.43 -0.06 0.00 -0.81 0.00 0.00 59.98 58.76 1ofu h ARG 238 Cb 0.06 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1ofu h ARG 238 CO -0.01 1.04 0.24 0.93 -1.51 0.00 0.00 179.97 180.66 1ofu h GLU 239 N 0.37 1.14 -0.32 0.20 5.08 -1.19 0.38 114.58 120.24 1ofu h GLU 239 Ca 0.01 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 1ofu h GLU 239 Cb 1.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1ofu h GLU 239 CO 0.09 0.97 -0.23 0.00 -1.00 0.00 0.00 179.01 178.84 1ofu h ALA 240 N 1.12 0.46 0.06 3.43 0.00 -0.96 -1.14 119.26 122.24 1ofu h ALA 240 Ca 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ofu h ALA 240 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ofu h ALA 240 CO -0.01 0.44 -0.03 1.15 0.00 0.00 0.00 179.25 180.80 1ofu h THR 241 N 0.49 1.10 -0.57 0.00 2.02 -1.31 -1.18 112.91 113.47 1ofu h THR 241 Ca 0.06 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1ofu h THR 241 Cb 0.79 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 1ofu h THR 241 CO 0.06 0.14 0.33 -0.33 0.37 0.00 0.00 175.52 176.10 1ofu h GLU 242 N -0.34 0.77 -0.31 6.66 5.08 -0.96 -1.20 114.58 124.27 1ofu h GLU 242 Ca -0.01 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1ofu h GLU 242 Cb 0.30 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1ofu h GLU 242 CO 0.01 0.55 -0.13 0.00 -1.00 0.00 0.00 179.01 178.44 1ofu h ALA 243 N 1.58 1.20 -0.28 3.43 0.00 -1.03 -0.45 119.26 123.71 1ofu h ALA 243 Ca 0.20 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1ofu h ALA 243 Cb -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ofu h ALA 243 CO -0.04 0.52 -0.26 0.00 0.00 0.00 0.00 179.25 179.47 1ofu h ALA 244 N 1.37 0.41 -0.68 0.00 0.00 -0.17 -1.81 119.26 118.38 1ofu h ALA 244 Ca 0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1ofu h ALA 244 Cb 0.52 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ofu h ALA 244 CO 0.03 0.40 0.33 0.82 0.00 0.00 0.00 179.25 180.83 1ofu h ILE 245 N 0.40 1.23 -0.23 0.00 2.04 -0.95 -2.54 117.51 117.45 1ofu h ILE 245 Ca 0.05 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1ofu h ILE 245 Cb 0.82 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1ofu h ILE 245 CO 0.07 0.27 0.00 -2.11 0.00 0.00 0.00 178.15 176.37 1ofu n ARG 246 N -4.45 1.74 -1.70 2.37 1.85 -0.21 -4.72 116.66 111.54 1ofu n ARG 246 Ca 0.05 -1.13 -0.44 0.00 -1.00 0.00 0.00 57.85 55.34 1ofu n ARG 246 Cb 0.13 -1.35 -0.02 0.00 -1.05 0.00 0.00 32.46 30.17 1ofu n ARG 246 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1ofu n ASN 247 N 0.37 3.28 0.26 2.89 2.85 -0.68 -4.82 115.26 119.40 1ofu n ASN 247 Ca 0.14 1.13 0.15 0.00 -0.11 0.00 0.00 54.58 55.90 1ofu n ASN 247 Cb 0.31 -1.50 0.82 0.00 1.24 0.00 0.00 39.78 40.65 1ofu n ASN 247 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ofu h PRO 248 N 4.73 0.00 0.00 1.20 0.13 -1.90 0.14 132.00 136.30 1ofu h PRO 248 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ofu h PRO 248 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ofu h PRO 248 CO 0.79 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.84 1ofu n LEU 249 N -2.63 0.31 -0.07 1.56 4.77 -1.26 -2.54 117.00 117.14 1ofu n LEU 249 Ca -0.02 0.56 0.03 0.00 -0.03 0.00 0.00 56.01 56.55 1ofu n LEU 249 Cb 0.15 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.80 1ofu n LEU 249 CO 0.13 -0.28 0.53 0.18 -1.33 0.00 0.00 177.39 176.63 1ofu n LEU 250 N -1.83 2.18 0.34 2.23 4.77 0.47 -4.39 117.00 120.78 1ofu n LEU 250 Ca 0.04 -2.30 -0.18 0.00 -0.03 0.00 0.00 56.01 53.54 1ofu n LEU 250 Cb 0.26 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 1ofu n LEU 250 CO 0.21 0.57 0.59 -0.33 -1.33 0.00 0.00 177.39 177.09 1ofu h GLU 251 N 0.15 -0.95 -1.04 3.23 5.08 -1.32 -3.09 114.58 116.64 1ofu h GLU 251 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ofu h GLU 251 Cb 0.66 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1ofu h GLU 251 CO 0.00 -0.63 0.00 -0.25 -1.00 0.00 0.00 179.01 177.13 1ofu n ASP 252 N -5.54 2.72 -4.21 1.42 8.00 -1.26 -4.81 116.55 112.86 1ofu n ASP 252 Ca -0.13 -1.90 -0.29 0.00 0.71 0.00 0.00 54.79 53.19 1ofu n ASP 252 Cb 0.43 -0.47 -0.16 0.00 -0.02 0.00 0.00 41.12 40.90 1ofu n ASP 252 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ofu s VAL 253 N -0.02 1.74 -0.79 2.53 -7.23 -1.17 -5.07 120.40 110.40 1ofu s VAL 253 Ca 0.00 -0.91 -0.19 0.00 -1.81 0.00 0.00 61.98 59.07 1ofu s VAL 253 Cb 0.00 -1.47 0.13 0.00 0.56 0.00 0.00 36.38 35.59 1ofu s VAL 253 CO 0.00 0.49 0.95 0.21 -0.31 0.00 0.00 175.10 176.44 1ofu s ASN 254 N -0.20 6.46 0.37 4.85 3.04 -1.26 -4.89 114.94 123.31 1ofu s ASN 254 Ca 0.00 -1.80 0.14 0.00 0.04 0.00 0.00 52.86 51.24 1ofu s ASN 254 Cb -0.11 -2.35 0.98 0.00 -1.54 0.00 0.00 41.25 38.23 1ofu s ASN 254 CO 0.02 -1.08 1.78 -0.07 -3.04 0.00 0.00 177.10 174.71 1ofu h LEU 255 N 10.13 0.55 -0.60 3.21 4.07 -1.93 0.87 115.31 131.61 1ofu h LEU 255 Ca -0.04 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1ofu h LEU 255 Cb 1.05 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1ofu h LEU 255 CO 1.07 0.15 0.00 1.67 -1.08 0.00 0.00 178.44 180.25 1ofu n GLN 256 N -4.67 0.16 -0.32 1.13 7.27 -1.13 -2.25 117.38 117.56 1ofu n GLN 256 Ca 0.24 0.40 0.12 0.00 0.07 0.00 0.00 57.00 57.83 1ofu n GLN 256 Cb 0.76 -1.81 0.29 0.00 2.41 0.00 0.00 30.24 31.89 1ofu n GLN 256 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ofu n GLY 257 N -0.07 2.17 3.82 1.69 0.00 0.30 -4.06 105.19 109.05 1ofu n GLY 257 Ca 0.02 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 1ofu n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofu s ALA 258 N -1.16 3.72 0.20 4.61 0.00 -0.95 -3.19 121.76 124.98 1ofu s ALA 258 Ca 0.46 -0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.13 1ofu s ALA 258 Cb 0.24 -2.29 0.07 0.00 0.00 0.00 0.00 23.12 21.15 1ofu s ALA 258 CO 0.32 0.43 1.44 0.00 0.00 0.00 0.00 175.76 177.95 1ofu h ARG 259 N 5.22 0.01 -5.61 0.00 3.08 -0.85 -3.43 114.38 112.81 1ofu h ARG 259 Ca -0.50 -0.01 -0.47 0.00 0.07 0.00 0.00 59.98 59.07 1ofu h ARG 259 Cb 1.21 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.04 1ofu h ARG 259 CO 0.64 0.82 -0.80 0.20 -1.07 0.00 0.00 179.97 179.75 1ofu s GLY 260 N -4.58 0.97 -0.18 0.04 0.00 -0.63 -0.34 107.32 102.60 1ofu s GLY 260 Ca -0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.64 1ofu s GLY 260 CO 0.79 -1.04 0.18 -0.42 0.00 0.00 0.00 173.10 172.61 1ofu s ILE 261 N -1.13 -0.25 -0.20 0.90 -1.09 0.17 -0.86 121.20 118.75 1ofu s ILE 261 Ca 0.02 -0.06 -0.05 0.00 -2.23 0.00 0.00 60.65 58.33 1ofu s ILE 261 Cb -0.09 -0.59 -0.02 0.00 -1.58 0.00 0.00 42.46 40.17 1ofu s ILE 261 CO 0.03 -0.17 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.33 1ofu s LEU 262 N 2.27 3.20 -0.10 2.97 2.96 -0.01 -0.99 118.68 128.99 1ofu s LEU 262 Ca 0.05 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1ofu s LEU 262 Cb -0.15 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1ofu s LEU 262 CO -0.10 0.07 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.10 1ofu s VAL 263 N 0.97 2.40 -0.24 1.68 1.01 0.45 -0.60 120.40 126.06 1ofu s VAL 263 Ca 0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1ofu s VAL 263 Cb -0.14 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1ofu s VAL 263 CO 0.02 0.55 -0.03 0.21 0.00 0.00 0.00 175.10 175.85 1ofu s ASN 264 N 0.16 4.43 -0.28 3.32 3.84 0.16 -0.54 114.94 126.02 1ofu s ASN 264 Ca -0.11 -0.57 -0.08 0.00 0.21 0.00 0.00 52.86 52.30 1ofu s ASN 264 Cb -0.16 -1.74 -0.02 0.00 -0.55 0.00 0.00 41.25 38.78 1ofu s ASN 264 CO 0.06 -0.08 0.11 -0.63 -2.79 0.00 0.00 177.10 173.77 1ofu s ILE 265 N 1.44 4.44 -0.14 -5.21 1.01 -0.38 -0.35 121.20 122.01 1ofu s ILE 265 Ca 0.04 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1ofu s ILE 265 Cb -0.15 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 1ofu s ILE 265 CO -0.03 0.21 -0.16 -0.89 0.00 0.00 0.00 174.94 174.07 1ofu s THR 266 N 1.61 2.63 0.29 2.92 2.01 -0.10 -0.09 115.64 124.91 1ofu s THR 266 Ca 0.05 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.09 1ofu s THR 266 Cb -0.16 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.27 1ofu s THR 266 CO 0.05 0.52 0.66 0.00 -0.69 0.00 0.00 174.62 175.17 1ofu s ALA 267 N 0.68 -0.86 0.80 7.40 0.00 -0.85 -0.33 121.76 128.60 1ofu s ALA 267 Ca -0.08 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1ofu s ALA 267 Cb -0.16 0.89 0.15 0.00 0.00 0.00 0.00 23.12 24.01 1ofu s ALA 267 CO 0.02 -0.98 0.99 0.41 0.00 0.00 0.00 175.76 176.20 1ofu n GLY 268 N -0.45 -0.02 0.00 0.00 0.00 -1.24 -0.11 105.19 103.36 1ofu n GLY 268 Ca -0.04 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1ofu n GLY 268 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ofu n PRO 269 N -2.94 0.00 -0.08 1.61 -0.02 -1.25 -1.66 135.00 130.66 1ofu n PRO 269 Ca 0.15 0.24 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 1ofu n PRO 269 Cb 0.53 -1.51 0.36 0.00 -0.02 0.00 0.00 33.50 32.86 1ofu n PRO 269 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ofu n ASP 270 N -1.22 1.38 -4.69 2.55 5.68 -1.26 -4.86 116.55 114.13 1ofu n ASP 270 Ca 0.00 -1.71 -0.42 0.00 -0.50 0.00 0.00 54.79 52.16 1ofu n ASP 270 Cb 0.01 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 39.86 1ofu n ASP 270 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1ofu s LEU 271 N -1.48 4.37 0.26 -2.12 2.96 -0.66 -4.99 118.68 117.02 1ofu s LEU 271 Ca 0.29 2.50 0.02 0.00 -0.22 0.00 0.00 54.13 56.72 1ofu s LEU 271 Cb 0.15 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 1ofu s LEU 271 CO 0.23 -0.90 0.43 -0.94 -1.32 0.00 0.00 176.35 173.85 1ofu s SER 272 N 2.49 6.33 0.25 3.68 1.04 -1.26 -5.00 113.70 121.23 1ofu s SER 272 Ca 0.75 0.29 -0.05 0.00 0.48 0.00 0.00 55.95 57.41 1ofu s SER 272 Cb -0.40 -1.96 0.29 0.00 0.10 0.00 0.00 66.02 64.05 1ofu s SER 272 CO 0.33 -0.13 1.91 0.25 0.98 0.00 0.00 173.24 176.58 1ofu h LEU 273 N 1.30 1.10 -0.92 2.42 7.12 -2.00 -2.01 115.31 122.32 1ofu h LEU 273 Ca -0.50 -0.02 -0.03 0.00 0.13 0.00 0.00 57.88 57.46 1ofu h LEU 273 Cb 1.21 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 41.04 1ofu h LEU 273 CO 0.63 0.77 0.40 1.23 -0.13 0.00 0.00 178.44 181.35 1ofu h GLY 274 N 1.29 1.26 1.17 3.75 0.00 -1.99 -1.49 103.07 107.06 1ofu h GLY 274 Ca 0.38 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1ofu h GLY 274 CO -0.11 0.58 0.21 0.83 0.00 0.00 0.00 176.54 178.06 1ofu h GLU 275 N 1.17 1.04 -0.37 4.80 5.08 -1.78 0.08 114.58 124.60 1ofu h GLU 275 Ca 0.28 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1ofu h GLU 275 Cb 0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1ofu h GLU 275 CO -0.04 0.89 0.16 -0.92 -1.00 0.00 0.00 179.01 178.11 1ofu h TYR 276 N 1.00 0.55 0.00 4.33 5.03 -0.96 -2.28 116.97 124.63 1ofu h TYR 276 Ca 0.22 -0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.41 1ofu h TYR 276 Cb 0.29 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 1ofu h TYR 276 CO 0.02 0.48 -0.43 0.66 -1.32 0.00 0.00 178.16 177.57 1ofu h SER 277 N 0.45 0.00 -0.49 -2.11 4.64 -0.96 -2.50 113.55 112.59 1ofu h SER 277 Ca 0.12 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1ofu h SER 277 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1ofu h SER 277 CO -0.01 0.43 0.19 0.44 -0.87 0.00 0.00 176.83 177.01 1ofu h ASP 278 N 0.00 0.68 -0.38 4.97 3.32 -0.52 -0.20 116.42 124.29 1ofu h ASP 278 Ca -0.00 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1ofu h ASP 278 Cb 0.77 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1ofu h ASP 278 CO 0.06 0.67 0.03 0.58 -1.72 0.00 0.00 179.24 178.85 1ofu h VAL 279 N 0.65 1.25 -0.54 -1.35 2.07 -1.28 -1.90 116.25 115.14 1ofu h VAL 279 Ca 0.16 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1ofu h VAL 279 Cb 0.20 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1ofu h VAL 279 CO -0.01 0.31 0.34 1.23 0.02 0.00 0.00 177.57 179.46 1ofu h GLY 280 N 0.48 0.77 0.98 2.17 0.00 -1.25 -1.46 103.07 104.74 1ofu h GLY 280 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1ofu h GLY 280 CO 0.01 0.23 0.26 3.43 0.00 0.00 0.00 176.54 180.47 1ofu h ASN 281 N 0.68 0.59 -0.88 0.19 -0.26 -0.89 -1.28 115.58 113.73 1ofu h ASN 281 Ca 0.21 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 1ofu h ASN 281 Cb -0.02 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.05 1ofu h ASN 281 CO -0.08 0.52 0.51 0.40 -1.06 0.00 0.00 177.43 177.71 1ofu h ILE 282 N 0.62 1.25 -0.24 2.81 2.04 -1.02 -2.36 117.51 120.62 1ofu h ILE 282 Ca 0.17 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1ofu h ILE 282 Cb 0.06 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1ofu h ILE 282 CO -0.03 0.27 -0.05 0.40 0.00 0.00 0.00 178.15 178.75 1ofu h ILE 283 N 1.23 1.28 -0.09 -0.67 1.08 -0.97 -2.93 117.51 116.44 1ofu h ILE 283 Ca 0.31 -1.04 0.03 0.00 -0.39 0.00 0.00 64.86 63.77 1ofu h ILE 283 Cb -0.01 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1ofu h ILE 283 CO -0.05 0.32 0.07 -0.33 -0.69 0.00 0.00 178.15 177.47 1ofu h GLU 284 N 0.19 0.00 0.00 2.37 5.08 -0.98 0.94 114.58 122.18 1ofu h GLU 284 Ca 0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1ofu h GLU 284 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ofu h GLU 284 CO 0.02 0.00 -0.25 0.37 -1.00 0.00 0.00 179.01 178.15 1ofu h GLN 285 N 0.00 0.00 0.00 2.33 4.15 -1.24 -3.26 115.11 117.09 1ofu h GLN 285 Ca 0.04 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 1ofu h GLN 285 Cb 0.18 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1ofu h GLN 285 CO -0.00 0.25 -1.99 1.19 -1.93 0.00 0.00 178.83 176.34 1ofu n PHE 286 N -3.35 0.00 -2.74 3.99 3.01 -0.32 -4.98 117.46 113.07 1ofu n PHE 286 Ca 0.01 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.13 1ofu n PHE 286 Cb 0.48 -0.60 -0.06 0.00 -0.01 0.00 0.00 39.48 39.29 1ofu n PHE 286 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ofu s ALA 287 N -2.97 3.01 0.50 4.37 0.00 0.18 -2.86 121.76 123.99 1ofu s ALA 287 Ca -0.08 0.47 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 1ofu s ALA 287 Cb 0.09 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 1ofu s ALA 287 CO 0.76 0.01 1.00 -1.54 0.00 0.00 0.00 175.76 175.98 1ofu s SER 288 N -2.06 6.52 0.49 0.00 1.04 -1.26 -4.91 113.70 113.52 1ofu s SER 288 Ca 0.62 1.70 0.32 0.00 0.48 0.00 0.00 55.95 59.08 1ofu s SER 288 Cb -0.12 -2.53 1.44 0.00 0.10 0.00 0.00 66.02 64.91 1ofu s SER 288 CO 0.16 -0.66 1.96 1.05 0.98 0.00 0.00 173.24 176.74 1ofu h GLU 289 N 1.21 0.00 -0.55 4.02 4.11 -1.93 -2.02 114.58 119.42 1ofu h GLU 289 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1ofu h GLU 289 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ofu h GLU 289 CO 0.60 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.40 1ofu n HIS 290 N -2.84 0.83 -3.93 2.06 8.25 -1.26 -4.94 115.22 113.40 1ofu n HIS 290 Ca 0.00 -0.37 -0.31 0.00 -0.26 0.00 0.00 57.72 56.78 1ofu n HIS 290 Cb 0.23 -0.07 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 1ofu n HIS 290 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ofu s ALA 291 N -1.48 3.97 -0.29 -1.41 0.00 -0.76 -4.94 121.76 116.86 1ofu s ALA 291 Ca 0.35 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 51.25 1ofu s ALA 291 Cb 0.20 -1.82 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 1ofu s ALA 291 CO 0.21 0.81 0.75 0.99 0.00 0.00 0.00 175.76 178.52 1ofu s THR 292 N -1.46 4.85 -0.15 0.00 2.01 0.53 -4.95 115.64 116.48 1ofu s THR 292 Ca 0.33 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.55 1ofu s THR 292 Cb -0.13 -4.09 -0.00 0.00 0.01 0.00 0.00 72.50 68.29 1ofu s THR 292 CO 0.26 -0.16 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.17 1ofu s VAL 293 N 2.82 2.54 -0.09 3.82 1.01 -1.26 -0.66 120.40 128.58 1ofu s VAL 293 Ca 0.31 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1ofu s VAL 293 Cb -0.15 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1ofu s VAL 293 CO 0.11 0.53 -0.06 -0.54 0.00 0.00 0.00 175.10 175.13 1ofu s LYS 294 N 0.73 1.29 -0.38 2.72 3.01 -0.16 -5.00 119.74 121.95 1ofu s LYS 294 Ca -0.07 -0.18 -0.01 0.00 -1.01 0.00 0.00 55.97 54.70 1ofu s LYS 294 Cb -0.16 -1.36 0.10 0.00 -1.01 0.00 0.00 37.83 35.41 1ofu s LYS 294 CO 0.01 -0.22 0.15 0.08 0.51 0.00 0.00 175.35 175.88 1ofu s VAL 295 N 1.54 2.97 0.14 3.17 1.01 -1.26 -0.41 120.40 127.56 1ofu s VAL 295 Ca 0.01 -2.10 -0.08 0.00 0.00 0.00 0.00 61.98 59.80 1ofu s VAL 295 Cb -0.13 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 1ofu s VAL 295 CO -0.05 -0.63 0.44 -0.83 0.00 0.00 0.00 175.10 174.03 1ofu s GLY 296 N 1.52 2.29 -0.04 4.51 0.00 0.30 -4.85 107.32 111.06 1ofu s GLY 296 Ca 0.08 -0.40 0.07 0.00 0.00 0.00 0.00 44.72 44.47 1ofu s GLY 296 CO -0.05 -0.25 -0.25 -1.59 0.00 0.00 0.00 173.10 170.96 1ofu s THR 297 N -1.60 2.09 -0.12 0.90 2.01 -1.26 -1.24 115.64 116.41 1ofu s THR 297 Ca 0.40 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1ofu s THR 297 Cb -0.13 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.67 1ofu s THR 297 CO 0.21 0.58 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.89 1ofu s VAL 298 N -0.38 1.47 -0.31 3.82 1.01 0.87 0.44 120.40 127.33 1ofu s VAL 298 Ca 0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1ofu s VAL 298 Cb -0.12 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1ofu s VAL 298 CO 0.01 0.44 0.19 -0.63 0.00 0.00 0.00 175.10 175.11 1ofu s ILE 299 N 1.20 5.05 -0.56 2.22 -1.09 -1.26 -2.00 121.20 124.76 1ofu s ILE 299 Ca -0.02 -0.14 -0.20 0.00 -2.23 0.00 0.00 60.65 58.06 1ofu s ILE 299 Cb -0.14 -3.51 0.07 0.00 -1.58 0.00 0.00 42.46 37.30 1ofu s ILE 299 CO -0.05 0.12 0.73 -0.62 -1.23 0.00 0.00 174.94 173.89 1ofu s ASP 300 N 1.70 6.21 0.58 3.58 3.68 0.84 -4.92 116.67 128.34 1ofu s ASP 300 Ca 0.06 -1.06 0.33 0.00 2.13 0.00 0.00 52.55 54.01 1ofu s ASP 300 Cb -0.17 -2.33 1.38 0.00 -1.45 0.00 0.00 42.92 40.36 1ofu s ASP 300 CO 0.09 -1.09 1.66 0.00 0.13 0.00 0.00 175.17 175.96 1ofu h ALA 301 N 9.18 2.90 -0.42 3.66 0.00 -1.95 0.18 119.26 132.82 1ofu h ALA 301 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ofu h ALA 301 Cb 1.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ofu h ALA 301 CO 1.06 -1.46 0.00 -0.25 0.00 0.00 0.00 179.25 178.60 1ofu n ASP 302 N -3.74 3.28 -4.84 0.00 9.92 -1.26 -4.65 116.55 115.26 1ofu n ASP 302 Ca 0.22 -1.94 -0.35 0.00 -0.53 0.00 0.00 54.79 52.19 1ofu n ASP 302 Cb 1.26 -0.27 -0.06 0.00 -0.64 0.00 0.00 41.12 41.41 1ofu n ASP 302 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1ofu s MET 303 N -1.19 3.98 -0.01 -1.24 1.75 0.64 -5.05 119.30 118.19 1ofu s MET 303 Ca 0.34 0.50 -0.10 0.00 -1.25 0.00 0.00 55.69 55.18 1ofu s MET 303 Cb 0.19 -2.91 0.01 0.00 2.84 0.00 0.00 34.83 34.96 1ofu s MET 303 CO 0.26 0.46 0.20 1.03 -0.65 0.00 0.00 175.02 176.33 1ofu s ARG 304 N -2.01 0.55 0.00 4.11 1.81 -1.26 -3.70 118.95 118.45 1ofu s ARG 304 Ca 0.39 -0.31 0.00 0.00 -1.72 0.00 0.00 55.73 54.09 1ofu s ARG 304 Cb -0.15 0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.59 1ofu s ARG 304 CO 0.19 -0.14 0.00 -0.25 -0.68 0.00 0.00 175.30 174.42 1ofu n ASP 305 N 1.42 0.00 -4.88 0.23 8.00 -1.26 -4.90 116.55 115.16 1ofu n ASP 305 Ca -0.22 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.97 1ofu n ASP 305 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.62 1ofu n ASP 305 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1ofu s GLU 306 N 0.00 3.79 -0.04 -1.24 -1.05 -1.26 -3.82 118.70 115.07 1ofu s GLU 306 Ca 0.00 0.36 -0.01 0.00 -0.15 0.00 0.00 54.97 55.17 1ofu s GLU 306 Cb 0.00 -2.50 0.03 0.00 -0.44 0.00 0.00 34.13 31.23 1ofu s GLU 306 CO 0.00 0.11 0.06 -1.17 0.95 0.00 0.00 175.26 175.21 1ofu s LEU 307 N -3.47 0.63 -0.02 1.83 0.20 -0.16 -4.30 118.68 113.40 1ofu s LEU 307 Ca 0.49 0.11 0.02 0.00 0.69 0.00 0.00 54.13 55.44 1ofu s LEU 307 Cb -0.10 -0.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.61 1ofu s LEU 307 CO 0.27 -0.18 -0.04 -1.00 -0.29 0.00 0.00 176.35 175.11 1ofu s HIS 308 N 1.54 2.98 -0.09 5.38 3.76 0.55 -1.66 115.29 127.76 1ofu s HIS 308 Ca -0.03 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1ofu s HIS 308 Cb -0.12 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 31.93 1ofu s HIS 308 CO -0.04 0.41 -0.07 0.08 -0.85 0.00 0.00 174.74 174.27 1ofu s VAL 309 N -0.99 0.91 -0.14 -0.90 1.01 0.43 -0.92 120.40 119.80 1ofu s VAL 309 Ca 0.17 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1ofu s VAL 309 Cb -0.11 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1ofu s VAL 309 CO 0.07 0.34 -0.17 -0.89 0.00 0.00 0.00 175.10 174.45 1ofu s THR 310 N 1.47 2.56 -0.14 3.92 2.01 0.53 -1.40 115.64 124.59 1ofu s THR 310 Ca -0.00 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1ofu s THR 310 Cb -0.13 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.33 1ofu s THR 310 CO -0.05 0.53 -0.20 0.54 -0.69 0.00 0.00 174.62 174.75 1ofu s VAL 311 N 0.62 2.29 -0.21 3.82 0.11 -0.08 0.36 120.40 127.31 1ofu s VAL 311 Ca -0.09 -0.91 -0.00 0.00 -2.93 0.00 0.00 61.98 58.05 1ofu s VAL 311 Cb -0.16 -1.93 0.02 0.00 -1.53 0.00 0.00 36.38 32.79 1ofu s VAL 311 CO 0.03 0.54 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.51 1ofu s VAL 312 N 0.71 2.45 -0.32 2.04 1.01 0.23 -1.16 120.40 125.36 1ofu s VAL 312 Ca -0.09 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 1ofu s VAL 312 Cb -0.16 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1ofu s VAL 312 CO 0.01 0.37 0.20 0.00 0.00 0.00 0.00 175.10 175.67 1ofu s ALA 313 N 1.30 3.42 0.33 5.51 0.00 0.41 -0.83 121.76 131.91 1ofu s ALA 313 Ca 0.02 -1.32 0.08 0.00 0.00 0.00 0.00 51.96 50.74 1ofu s ALA 313 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1ofu s ALA 313 CO -0.09 -0.85 0.24 0.95 0.00 0.00 0.00 175.76 176.01 1ofu s THR 314 N 1.69 3.41 -1.23 0.00 -4.23 -0.04 -1.69 115.64 113.55 1ofu s THR 314 Ca 0.06 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 59.06 1ofu s THR 314 Cb -0.17 -3.12 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 1ofu s THR 314 CO 0.09 -0.19 0.82 0.61 -0.54 0.00 0.00 174.62 175.41 1ofu n GLY 315 N -1.29 -0.48 3.78 3.99 0.00 -0.72 -1.60 105.19 108.87 1ofu n GLY 315 Ca -0.02 0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1ofu n GLY 315 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ofu s LEU 316 N -6.40 3.75 0.00 0.99 1.43 -1.05 -2.08 118.68 115.32 1ofu s LEU 316 Ca 0.10 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 1ofu s LEU 316 Cb -0.02 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1ofu s LEU 316 CO 0.78 -1.09 0.00 0.61 0.23 0.00 0.00 176.35 176.88