#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1amu n THR 18 N 0.00 0.00 -3.58 2.61 -1.04 -1.26 -5.02 114.28 105.99 1amu n THR 18 Ca 0.00 -0.24 -0.21 0.00 -2.04 0.00 0.00 64.05 61.56 1amu n THR 18 Cb 0.00 0.59 0.05 0.00 -1.82 0.00 0.00 70.33 69.15 1amu n THR 18 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1amu n HIS 19 N -1.72 -2.05 -0.04 -1.42 -0.00 -1.26 -4.91 115.22 103.83 1amu n HIS 19 Ca 0.00 0.81 -0.12 0.00 -0.00 0.00 0.00 57.72 58.41 1amu n HIS 19 Cb 0.35 -4.36 -0.07 0.00 -0.00 0.00 0.00 29.99 25.90 1amu n HIS 19 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1amu h GLU 20 N -1.75 0.22 -0.62 -0.41 3.07 -1.99 -2.19 114.58 110.91 1amu h GLU 20 Ca -0.61 -0.08 0.03 0.00 -0.50 0.00 0.00 59.36 58.20 1amu h GLU 20 Cb 1.35 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.20 1amu h GLU 20 CO 0.52 0.50 0.37 1.49 -1.40 0.00 0.00 179.01 180.49 1amu h GLU 21 N -0.08 0.70 -0.61 2.33 4.81 -1.99 0.24 114.58 119.97 1amu h GLU 21 Ca 0.03 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1amu h GLU 21 Cb 0.41 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1amu h GLU 21 CO 0.01 0.46 0.13 1.49 -0.73 0.00 0.00 179.01 180.38 1amu h GLU 22 N 0.72 0.98 -0.55 1.92 4.81 -1.95 -1.72 114.58 118.79 1amu h GLU 22 Ca 0.25 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1amu h GLU 22 Cb 0.05 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1amu h GLU 22 CO -0.12 0.91 -0.09 1.96 -0.73 0.00 0.00 179.01 180.94 1amu h GLN 23 N 0.89 1.04 -0.37 1.92 4.20 -0.68 -2.81 115.11 119.30 1amu h GLN 23 Ca 0.19 -0.37 0.03 0.00 0.06 0.00 0.00 58.65 58.56 1amu h GLN 23 Cb 0.37 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1amu h GLN 23 CO 0.00 1.07 0.17 -0.92 -0.67 0.00 0.00 178.83 178.48 1amu h TYR 24 N 0.92 0.30 0.00 2.96 3.20 -0.34 0.18 116.97 124.19 1amu h TYR 24 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1amu h TYR 24 Cb 0.66 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1amu h TYR 24 CO 0.04 0.15 0.00 -0.07 -1.64 0.00 0.00 178.16 176.65 1amu h LEU 25 N 0.35 0.00 0.02 2.82 3.38 -1.07 -1.33 115.31 119.47 1amu h LEU 25 Ca 0.16 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.77 1amu h LEU 25 Cb 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1amu h LEU 25 CO -0.13 0.00 -2.20 0.49 0.09 0.00 0.00 178.44 176.69 1amu n PHE 26 N -2.72 0.42 0.06 1.13 3.72 -0.55 -4.31 117.46 115.21 1amu n PHE 26 Ca -0.02 0.12 0.04 0.00 -0.05 0.00 0.00 57.45 57.54 1amu n PHE 26 Cb 0.10 -1.07 0.44 0.00 -0.94 0.00 0.00 39.48 38.01 1amu n PHE 26 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1amu h ALA 27 N 0.59 1.69 0.00 4.37 0.00 0.36 -0.60 119.26 125.67 1amu h ALA 27 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1amu h ALA 27 Cb 2.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1amu h ALA 27 CO 0.02 0.26 0.00 -0.39 0.00 0.00 0.00 179.25 179.14 1amu h VAL 28 N 0.41 0.00 -0.63 0.00 -1.51 -1.51 -1.79 116.25 111.22 1amu h VAL 28 Ca 0.10 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1amu h VAL 28 Cb 0.06 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1amu h VAL 28 CO -0.01 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.92 1amu n ASN 29 N -2.32 4.05 -4.58 4.19 3.02 -0.24 -4.73 115.26 114.66 1amu n ASN 29 Ca 0.01 -2.17 -0.42 0.00 -0.03 0.00 0.00 54.58 51.97 1amu n ASN 29 Cb 0.16 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 38.84 1amu n ASN 29 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1amu s ASN 30 N -1.01 6.65 -0.01 6.41 0.01 -0.67 -4.59 114.94 121.74 1amu s ASN 30 Ca 0.45 -2.20 0.01 0.00 -0.71 0.00 0.00 52.86 50.41 1amu s ASN 30 Cb 0.26 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.35 1amu s ASN 30 CO 0.27 -1.36 0.90 0.35 -1.51 0.00 0.00 177.10 175.75 1amu n THR 31 N 6.59 0.81 -1.75 1.60 -2.24 -1.26 -5.07 114.28 112.96 1amu n THR 31 Ca 0.46 -0.83 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 1amu n THR 31 Cb 0.47 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 1amu n THR 31 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1amu n LYS 32 N -0.43 2.58 -3.67 -0.78 4.81 -1.26 -0.80 118.16 118.61 1amu n LYS 32 Ca 0.01 0.91 -0.15 0.00 -0.87 0.00 0.00 58.31 58.21 1amu n LYS 32 Cb 0.33 -2.64 -0.08 0.00 0.02 0.00 0.00 35.03 32.66 1amu n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1amu s ALA 33 N -0.59 -1.16 0.32 3.14 0.00 -1.26 -4.83 121.76 117.38 1amu s ALA 33 Ca 0.59 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 53.03 1amu s ALA 33 Cb -0.51 -0.04 -0.10 0.00 0.00 0.00 0.00 23.12 22.48 1amu s ALA 33 CO 0.57 -0.29 1.21 -1.21 0.00 0.00 0.00 175.76 176.03 1amu s GLU 34 N -1.12 4.41 0.11 0.00 2.02 -1.26 -4.86 118.70 118.00 1amu s GLU 34 Ca -0.11 2.00 -0.24 0.00 0.02 0.00 0.00 54.97 56.64 1amu s GLU 34 Cb -0.03 -3.05 0.06 0.00 0.10 0.00 0.00 34.13 31.21 1amu s GLU 34 CO 0.06 -0.06 0.59 1.52 0.02 0.00 0.00 175.26 177.38 1amu s TYR 35 N -1.19 -0.52 -0.80 1.61 1.13 -1.26 -5.01 117.35 111.31 1amu s TYR 35 Ca 0.49 0.45 -0.23 0.00 -1.41 0.00 0.00 57.07 56.36 1amu s TYR 35 Cb -0.35 0.48 -0.16 0.00 -1.10 0.00 0.00 41.96 40.83 1amu s TYR 35 CO 0.46 -0.77 1.90 -2.30 -2.51 0.00 0.00 175.55 172.34 1amu n PRO 36 N -0.05 1.41 0.27 -3.49 -0.02 -1.26 -4.74 135.00 127.12 1amu n PRO 36 Ca -0.17 -1.92 0.18 0.00 -2.02 0.00 0.00 63.50 59.57 1amu n PRO 36 Cb 0.63 -3.07 0.86 0.00 -0.02 0.00 0.00 33.50 31.90 1amu n PRO 36 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1amu h ARG 37 N 8.45 0.00 -0.20 -0.52 0.11 -1.94 -2.06 114.38 118.23 1amu h ARG 37 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 1amu h ARG 37 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 1amu h ARG 37 CO 1.81 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 181.63 1amu n ASP 38 N -2.85 2.95 -4.88 0.08 8.00 -1.26 -4.73 116.55 113.86 1amu n ASP 38 Ca -0.01 -1.88 -0.32 0.00 0.71 0.00 0.00 54.79 53.29 1amu n ASP 38 Cb 0.16 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1amu n ASP 38 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1amu s LYS 39 N -1.48 3.32 0.54 -1.24 1.02 -0.78 -4.40 119.74 116.73 1amu s LYS 39 Ca 0.29 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.83 1amu s LYS 39 Cb 0.18 -2.99 0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1amu s LYS 39 CO 0.26 0.62 0.76 0.95 -0.92 0.00 0.00 175.35 177.02 1amu s THR 40 N -1.43 2.81 0.10 2.17 -4.23 -1.26 -4.57 115.64 109.24 1amu s THR 40 Ca 0.31 -0.65 -0.21 0.00 -1.18 0.00 0.00 61.69 59.96 1amu s THR 40 Cb -0.13 -3.05 -0.11 0.00 1.34 0.00 0.00 72.50 70.55 1amu s THR 40 CO 0.24 -0.04 1.75 0.40 -0.54 0.00 0.00 174.62 176.43 1amu h ILE 41 N 0.11 1.04 -0.43 2.99 2.04 -1.96 -0.99 117.51 120.30 1amu h ILE 41 Ca -0.42 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1amu h ILE 41 Cb 1.29 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1amu h ILE 41 CO 0.53 0.04 -0.03 1.12 0.00 0.00 0.00 178.15 179.80 1amu h HIS 42 N 0.14 0.76 -0.31 1.37 2.07 -1.95 0.51 115.15 117.75 1amu h HIS 42 Ca 0.04 -0.11 0.03 0.00 -2.85 0.00 0.00 60.37 57.48 1amu h HIS 42 Cb -0.00 -0.21 -0.03 0.00 2.57 0.00 0.00 27.41 29.74 1amu h HIS 42 CO -0.07 0.74 0.14 0.37 -3.07 0.00 0.00 177.93 176.04 1amu h GLN 43 N 0.67 0.29 -0.82 5.12 4.15 -1.88 0.19 115.11 122.83 1amu h GLN 43 Ca 0.13 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1amu h GLN 43 Cb 0.46 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 1amu h GLN 43 CO 0.02 0.19 0.36 -0.07 -1.93 0.00 0.00 178.83 177.40 1amu h LEU 44 N 0.29 1.09 -0.42 -2.39 3.38 -0.58 -0.30 115.31 116.39 1amu h LEU 44 Ca 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1amu h LEU 44 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1amu h LEU 44 CO -0.11 0.94 0.19 0.15 0.09 0.00 0.00 178.44 179.71 1amu h PHE 45 N 1.17 0.61 -0.71 1.13 3.57 -0.41 -2.36 116.94 119.94 1amu h PHE 45 Ca 0.28 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 1amu h PHE 45 Cb 0.17 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1amu h PHE 45 CO 0.02 0.51 0.32 0.93 -2.23 0.00 0.00 178.31 177.86 1amu h GLU 46 N 0.53 1.02 0.00 1.11 5.08 -0.15 0.24 114.58 122.41 1amu h GLU 46 Ca 0.14 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1amu h GLU 46 Cb 0.14 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1amu h GLU 46 CO -0.02 0.80 -0.30 0.93 -1.00 0.00 0.00 179.01 179.43 1amu h GLU 47 N 1.01 0.00 0.10 2.33 5.08 -0.89 -1.01 114.58 121.20 1amu h GLU 47 Ca 0.24 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.32 1amu h GLU 47 Cb 0.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.40 1amu h GLU 47 CO -0.03 0.30 -1.20 0.37 -1.00 0.00 0.00 179.01 177.46 1amu h GLN 48 N 0.00 0.55 -0.84 2.33 5.75 -0.79 -2.70 115.11 119.41 1amu h GLN 48 Ca -0.00 -0.73 0.00 0.00 -0.15 0.00 0.00 58.65 57.77 1amu h GLN 48 Cb 0.66 0.24 -0.04 0.00 1.07 0.00 0.00 27.48 29.41 1amu h GLN 48 CO 0.04 1.32 0.53 0.28 -2.65 0.00 0.00 178.83 178.34 1amu h VAL 49 N 0.25 1.23 -0.43 2.39 2.07 -0.62 -2.02 116.25 119.11 1amu h VAL 49 Ca -0.16 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 1amu h VAL 49 Cb 1.87 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1amu h VAL 49 CO 0.22 0.23 0.00 -1.28 0.02 0.00 0.00 177.57 176.76 1amu h SER 50 N 1.14 0.66 -0.13 0.57 0.87 -1.19 0.88 113.55 116.35 1amu h SER 50 Ca 0.30 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1amu h SER 50 Cb -0.08 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1amu h SER 50 CO -0.06 0.72 -0.09 0.11 -0.53 0.00 0.00 176.83 176.98 1amu h LYS 51 N 0.65 0.29 -2.20 2.24 1.57 -1.10 -3.39 116.57 114.62 1amu h LYS 51 Ca 0.13 -0.14 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 1amu h LYS 51 Cb 0.40 -0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.34 1amu h LYS 51 CO 0.01 0.66 -0.97 0.54 -0.57 0.00 0.00 179.45 179.12 1amu n ARG 52 N -4.64 0.30 0.26 3.15 5.12 -0.80 -4.98 116.66 115.07 1amu n ARG 52 Ca -0.06 -3.11 0.11 0.00 -1.93 0.00 0.00 57.85 52.86 1amu n ARG 52 Cb 0.32 -1.58 0.72 0.00 -1.16 0.00 0.00 32.46 30.76 1amu n ARG 52 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1amu h PRO 53 N 5.29 0.00 -0.53 5.56 0.13 -1.03 -2.74 132.00 138.67 1amu h PRO 53 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1amu h PRO 53 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1amu h PRO 53 CO 0.37 0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.33 1amu n ASN 54 N -3.88 3.31 -4.78 1.44 3.02 -1.26 -0.36 115.26 112.74 1amu n ASN 54 Ca -0.02 -1.98 -0.36 0.00 -0.03 0.00 0.00 54.58 52.20 1amu n ASN 54 Cb 0.19 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 1amu n ASN 54 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1amu s ASN 55 N -1.19 6.42 0.07 6.41 -0.87 -1.03 -4.83 114.94 119.91 1amu s ASN 55 Ca 0.41 2.06 -0.31 0.00 -1.57 0.00 0.00 52.86 53.46 1amu s ASN 55 Cb 0.22 -2.58 -0.07 0.00 -0.02 0.00 0.00 41.25 38.80 1amu s ASN 55 CO 0.30 -0.73 1.39 -0.69 -2.57 0.00 0.00 177.10 174.79 1amu s VAL 56 N -1.76 3.49 -0.25 1.60 1.01 -1.26 -0.54 120.40 122.70 1amu s VAL 56 Ca 0.63 1.01 -0.09 0.00 0.00 0.00 0.00 61.98 63.54 1amu s VAL 56 Cb -0.21 -3.65 -0.16 0.00 0.00 0.00 0.00 36.38 32.36 1amu s VAL 56 CO 0.26 0.05 -0.17 0.00 0.00 0.00 0.00 175.10 175.24 1amu n ALA 57 N 4.51 1.19 -3.41 5.51 0.00 0.24 -3.96 120.51 124.59 1amu n ALA 57 Ca 0.12 -0.97 -0.12 0.00 0.00 0.00 0.00 53.44 52.46 1amu n ALA 57 Cb 0.43 -0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.64 1amu n ALA 57 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1amu s ILE 58 N -2.50 -0.02 -0.05 0.00 2.07 -1.01 -0.54 121.20 119.15 1amu s ILE 58 Ca -0.35 0.07 0.05 0.00 -1.41 0.00 0.00 60.65 59.01 1amu s ILE 58 Cb 0.11 -0.37 -0.00 0.00 0.13 0.00 0.00 42.46 42.32 1amu s ILE 58 CO 0.57 0.03 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.74 1amu s VAL 59 N 0.66 1.61 -0.22 4.00 1.01 0.26 -1.40 120.40 126.32 1amu s VAL 59 Ca -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1amu s VAL 59 Cb -0.06 -1.38 0.10 0.00 0.00 0.00 0.00 36.38 35.04 1amu s VAL 59 CO -0.04 0.46 0.21 0.00 0.00 0.00 0.00 175.10 175.73 1amu n GLU 61 N 5.30 0.00 -0.28 0.00 -0.58 -1.26 -1.39 120.64 122.43 1amu n GLU 61 Ca -0.05 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.78 1amu n GLU 61 Cb 0.48 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.60 1amu n GLU 61 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1amu n ASN 62 N 10.90 3.49 -4.43 1.62 5.03 -1.26 -4.98 115.26 125.64 1amu n ASN 62 Ca 0.00 -1.99 -0.29 0.00 0.87 0.00 0.00 54.58 53.17 1amu n ASN 62 Cb 0.00 -0.37 -0.12 0.00 -1.02 0.00 0.00 39.78 38.27 1amu n ASN 62 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1amu s GLU 63 N -1.02 1.53 0.12 3.52 8.01 -0.49 -5.14 118.70 125.24 1amu s GLU 63 Ca 0.38 -1.30 -0.21 0.00 0.01 0.00 0.00 54.97 53.85 1amu s GLU 63 Cb 0.20 -1.97 0.06 0.00 -4.31 0.00 0.00 34.13 28.10 1amu s GLU 63 CO 0.26 0.46 0.52 1.14 0.01 0.00 0.00 175.26 177.65 1amu s GLN 64 N -2.11 1.16 0.03 1.61 -2.07 -1.26 -0.49 119.66 116.52 1amu s GLN 64 Ca 0.16 -0.49 0.04 0.00 -1.82 0.00 0.00 55.36 53.24 1amu s GLN 64 Cb -0.10 0.53 -0.02 0.00 -1.09 0.00 0.00 33.01 32.33 1amu s GLN 64 CO 0.08 -0.47 -0.12 -0.51 -1.32 0.00 0.00 175.29 172.94 1amu s LEU 65 N -2.60 2.16 0.77 2.60 1.43 -0.49 -5.01 118.68 117.53 1amu s LEU 65 Ca 0.00 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 1amu s LEU 65 Cb 0.00 -0.50 0.07 0.00 0.03 0.00 0.00 46.19 45.80 1amu s LEU 65 CO -0.10 0.01 1.11 0.42 0.23 0.00 0.00 176.35 178.02 1amu s THR 66 N -0.82 2.11 0.22 5.49 -4.23 -1.26 -0.59 115.64 116.56 1amu s THR 66 Ca -0.00 -0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.32 1amu s THR 66 Cb -0.07 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 70.94 1amu s THR 66 CO 0.01 0.00 1.81 1.88 -0.54 0.00 0.00 174.62 177.78 1amu h TYR 67 N -0.87 0.76 0.05 3.99 -1.99 -0.66 -0.40 116.97 117.85 1amu h TYR 67 Ca -0.45 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.30 1amu h TYR 67 Cb 1.32 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1amu h TYR 67 CO 0.31 0.35 -0.02 1.25 -0.00 0.00 0.00 178.16 180.04 1amu h HIS 68 N 0.75 -0.06 -0.52 4.88 2.76 -0.97 -0.18 115.15 121.81 1amu h HIS 68 Ca 0.34 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 1amu h HIS 68 Cb 0.24 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 1amu h HIS 68 CO -0.07 0.04 0.33 0.93 -1.30 0.00 0.00 177.93 177.85 1amu h GLU 69 N -0.14 0.69 -0.66 5.26 5.08 -1.71 -0.13 114.58 122.98 1amu h GLU 69 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1amu h GLU 69 Cb 0.12 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1amu h GLU 69 CO 0.01 0.48 0.30 1.25 -1.00 0.00 0.00 179.01 180.05 1amu h LEU 70 N 0.70 0.87 -0.19 1.33 5.85 -1.01 -2.16 115.31 120.70 1amu h LEU 70 Ca 0.19 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1amu h LEU 70 Cb -0.05 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1amu h LEU 70 CO -0.04 0.78 0.10 -1.13 -0.34 0.00 0.00 178.44 177.81 1amu h ASN 71 N 0.91 0.24 -0.04 1.25 -1.24 -0.49 -1.38 115.58 114.83 1amu h ASN 71 Ca 0.22 -0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.17 1amu h ASN 71 Cb 0.14 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1amu h ASN 71 CO -0.03 0.26 -0.09 0.58 -1.29 0.00 0.00 177.43 176.86 1amu h VAL 72 N 0.20 0.76 -0.66 2.57 2.07 -0.88 -0.13 116.25 120.19 1amu h VAL 72 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1amu h VAL 72 Cb 0.07 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1amu h VAL 72 CO -0.01 0.00 0.35 0.11 0.02 0.00 0.00 177.57 178.04 1amu h LYS 73 N -0.13 0.91 -0.54 1.57 1.57 -1.28 -0.09 116.57 118.57 1amu h LYS 73 Ca 0.05 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1amu h LYS 73 Cb 0.20 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1amu h LYS 73 CO -0.12 0.67 -0.12 0.00 -0.57 0.00 0.00 179.45 179.32 1amu h ALA 74 N 1.47 0.77 -0.38 3.86 0.00 -0.84 -2.18 119.26 121.96 1amu h ALA 74 Ca 0.23 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1amu h ALA 74 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1amu h ALA 74 CO -0.04 0.67 -0.02 -0.91 0.00 0.00 0.00 179.25 178.96 1amu h ASN 75 N 0.91 0.67 0.20 0.00 2.35 -0.38 -0.66 115.58 118.67 1amu h ASN 75 Ca 0.14 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1amu h ASN 75 Cb 0.68 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1amu h ASN 75 CO 0.05 0.83 -0.15 1.56 -1.65 0.00 0.00 177.43 178.07 1amu h GLN 76 N 0.50 -0.34 -0.81 0.81 4.20 -0.95 -1.83 115.11 116.69 1amu h GLN 76 Ca 0.11 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1amu h GLN 76 Cb 0.49 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1amu h GLN 76 CO 0.02 -0.23 0.37 1.25 -0.67 0.00 0.00 178.83 179.58 1amu h LEU 77 N -0.35 1.07 -1.59 1.46 5.85 -1.39 -2.22 115.31 118.14 1amu h LEU 77 Ca -0.01 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1amu h LEU 77 Cb 0.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1amu h LEU 77 CO -0.00 0.92 0.35 0.00 -0.34 0.00 0.00 178.44 179.36 1amu h ALA 78 N 1.24 1.83 -0.05 1.25 0.00 -0.77 -0.24 119.26 122.52 1amu h ALA 78 Ca 0.28 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1amu h ALA 78 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1amu h ALA 78 CO -0.03 0.10 -0.28 0.00 0.00 0.00 0.00 179.25 179.03 1amu h ARG 79 N 0.52 0.10 -0.36 0.00 3.08 -0.69 -1.16 114.38 115.86 1amu h ARG 79 Ca 0.22 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.09 1amu h ARG 79 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1amu h ARG 79 CO -0.06 0.37 -0.37 0.82 -1.07 0.00 0.00 179.97 179.67 1amu h ILE 80 N 0.09 1.28 -0.77 2.04 2.04 -1.01 -3.03 117.51 118.15 1amu h ILE 80 Ca 0.01 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1amu h ILE 80 Cb 0.55 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1amu h ILE 80 CO 0.04 0.51 0.44 -0.26 0.00 0.00 0.00 178.15 178.88 1amu h PHE 81 N 0.68 1.04 -0.87 1.37 0.04 -0.86 -2.64 116.94 115.70 1amu h PHE 81 Ca 0.06 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.84 1amu h PHE 81 Cb 0.96 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.72 1amu h PHE 81 CO 0.07 0.72 0.56 0.82 -0.60 0.00 0.00 178.31 179.88 1amu h ILE 82 N 1.06 1.13 0.00 -0.55 2.04 -1.12 -0.45 117.51 119.63 1amu h ILE 82 Ca 0.27 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.63 1amu h ILE 82 Cb 0.01 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 1amu h ILE 82 CO -0.05 0.20 -0.61 -0.33 0.00 0.00 0.00 178.15 177.36 1amu h GLU 83 N 1.08 0.00 -0.52 2.37 5.08 -1.40 -2.75 114.58 118.45 1amu h GLU 83 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1amu h GLU 83 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1amu h GLU 83 CO -0.12 0.61 0.00 1.63 -1.00 0.00 0.00 179.01 180.13 1amu n LYS 84 N -3.76 1.97 -0.53 2.33 5.02 -0.75 -4.89 118.16 117.55 1amu n LYS 84 Ca -0.01 -1.05 0.00 0.00 -2.02 0.00 0.00 58.31 55.23 1amu n LYS 84 Cb 0.62 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1amu n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1amu n GLY 85 N 0.62 0.73 3.63 0.72 0.00 -1.03 -5.04 105.19 104.82 1amu n GLY 85 Ca 0.09 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1amu n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1amu s ILE 86 N -2.00 4.30 0.00 -0.61 -1.09 -0.25 -4.95 121.20 116.60 1amu s ILE 86 Ca 0.00 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1amu s ILE 86 Cb 0.00 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 1amu s ILE 86 CO 0.00 -0.55 0.00 0.61 -1.23 0.00 0.00 174.94 173.77 1amu n GLY 87 N 4.21 4.58 3.57 6.18 0.00 -1.26 -4.30 105.19 118.17 1amu n GLY 87 Ca 0.13 -1.05 -0.55 0.00 0.00 0.00 0.00 46.02 44.56 1amu n GLY 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1amu n LYS 88 N 0.00 1.06 -1.20 1.61 4.81 -1.16 -1.35 118.16 121.94 1amu n LYS 88 Ca 0.00 0.35 -0.07 0.00 -0.87 0.00 0.00 58.31 57.72 1amu n LYS 88 Cb 0.00 -2.20 -0.03 0.00 0.02 0.00 0.00 35.03 32.82 1amu n LYS 88 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1amu n ASP 89 N 7.26 -5.07 -4.73 3.14 9.92 -1.20 -4.98 116.55 120.89 1amu n ASP 89 Ca 0.34 0.17 -0.42 0.00 -0.53 0.00 0.00 54.79 54.36 1amu n ASP 89 Cb 0.16 -3.18 -0.03 0.00 -0.64 0.00 0.00 41.12 37.42 1amu n ASP 89 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1amu s THR 90 N -1.85 3.62 -0.15 -3.53 2.01 -0.46 -4.77 115.64 110.51 1amu s THR 90 Ca 0.00 1.27 -0.15 0.00 0.31 0.00 0.00 61.69 63.13 1amu s THR 90 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1amu s THR 90 CO 0.00 0.16 0.34 -0.76 -0.69 0.00 0.00 174.62 173.67 1amu s LEU 91 N 0.28 4.24 -0.25 4.42 1.43 -1.26 -0.67 118.68 126.87 1amu s LEU 91 Ca 0.56 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 1amu s LEU 91 Cb -0.33 -2.45 0.06 0.00 0.03 0.00 0.00 46.19 43.50 1amu s LEU 91 CO 0.34 0.07 -0.12 -0.69 0.23 0.00 0.00 176.35 176.18 1amu s VAL 92 N 0.56 2.15 0.31 -1.59 1.01 -0.07 -3.12 120.40 119.65 1amu s VAL 92 Ca 0.19 -1.55 -0.29 0.00 0.00 0.00 0.00 61.98 60.33 1amu s VAL 92 Cb -0.13 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.92 1amu s VAL 92 CO 0.05 0.04 1.23 -0.83 0.00 0.00 0.00 175.10 175.60 1amu s GLY 93 N 1.13 3.01 -0.11 4.51 0.00 0.44 -1.09 107.32 115.22 1amu s GLY 93 Ca -0.07 1.13 0.02 0.00 0.00 0.00 0.00 44.72 45.80 1amu s GLY 93 CO -0.06 1.77 -0.17 -0.42 0.00 0.00 0.00 173.10 174.23 1amu s ILE 94 N -1.11 1.58 -0.42 0.90 1.01 -0.53 -0.12 121.20 122.51 1amu s ILE 94 Ca 0.48 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1amu s ILE 94 Cb -0.37 -1.42 0.15 0.00 0.01 0.00 0.00 42.46 40.83 1amu s ILE 94 CO 0.48 0.46 0.28 -0.32 0.00 0.00 0.00 174.94 175.84 1amu s MET 95 N 0.86 1.02 0.08 2.79 1.75 0.15 -0.50 119.30 125.45 1amu s MET 95 Ca -0.09 -1.92 0.03 0.00 -1.25 0.00 0.00 55.69 52.46 1amu s MET 95 Cb -0.15 -1.80 -0.03 0.00 2.84 0.00 0.00 34.83 35.68 1amu s MET 95 CO 0.00 -1.26 -0.08 -1.64 -0.65 0.00 0.00 175.02 171.39 1amu s MET 96 N 0.36 0.73 0.63 4.11 -1.94 -1.26 -4.04 119.30 117.89 1amu s MET 96 Ca 0.23 -1.07 -0.19 0.00 -1.71 0.00 0.00 55.69 52.95 1amu s MET 96 Cb -0.14 -0.36 -0.02 0.00 2.01 0.00 0.00 34.83 36.33 1amu s MET 96 CO -0.07 0.04 1.29 0.39 -0.01 0.00 0.00 175.02 176.67 1amu n GLU 97 N 0.70 1.19 -1.76 2.03 -0.58 -1.26 -4.65 120.64 116.31 1amu n GLU 97 Ca -0.17 0.46 -0.43 0.00 -0.42 0.00 0.00 57.16 56.60 1amu n GLU 97 Cb 0.57 -2.53 -0.03 0.00 -0.57 0.00 0.00 31.44 28.89 1amu n GLU 97 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1amu s LYS 98 N -3.28 3.18 0.19 3.49 2.20 -1.26 -4.45 119.74 119.80 1amu s LYS 98 Ca 0.81 1.78 -0.23 0.00 -0.36 0.00 0.00 55.97 57.98 1amu s LYS 98 Cb -0.39 -4.31 0.07 0.00 -1.51 0.00 0.00 37.83 31.69 1amu s LYS 98 CO 0.42 -2.05 0.99 -1.54 -0.36 0.00 0.00 175.35 172.81 1amu s SER 99 N 7.56 -0.07 0.26 1.43 1.04 -1.26 -5.00 113.70 117.66 1amu s SER 99 Ca 0.93 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 56.71 1amu s SER 99 Cb -0.29 0.53 0.31 0.00 0.10 0.00 0.00 66.02 66.68 1amu s SER 99 CO 0.34 -1.02 1.82 0.40 0.98 0.00 0.00 173.24 175.76 1amu h ILE 100 N 2.00 1.24 -0.76 -1.02 2.04 -1.94 -2.78 117.51 116.29 1amu h ILE 100 Ca -0.27 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 64.89 1amu h ILE 100 Cb 1.23 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1amu h ILE 100 CO 0.32 0.31 0.50 0.44 0.00 0.00 0.00 178.15 179.72 1amu h ASP 101 N 0.98 0.72 -0.71 1.72 3.32 -1.96 -1.76 116.42 118.73 1amu h ASP 101 Ca 0.22 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.34 1amu h ASP 101 Cb 0.22 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1amu h ASP 101 CO -0.02 0.47 0.41 0.25 -1.72 0.00 0.00 179.24 178.63 1amu h LEU 102 N 0.82 0.62 -0.43 1.55 5.85 -1.71 -1.23 115.31 120.78 1amu h LEU 102 Ca 0.33 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.93 1amu h LEU 102 Cb 0.23 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1amu h LEU 102 CO -0.11 0.40 -0.70 -0.26 -0.34 0.00 0.00 178.44 177.43 1amu h PHE 103 N 0.76 0.00 -0.60 1.25 0.04 -1.41 -1.76 116.94 115.21 1amu h PHE 103 Ca 0.31 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.04 1amu h PHE 103 Cb 0.17 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1amu h PHE 103 CO -0.07 0.70 0.20 0.82 -0.60 0.00 0.00 178.31 179.36 1amu h ILE 104 N 0.00 1.24 -0.28 -0.55 2.04 -1.03 -2.06 117.51 116.86 1amu h ILE 104 Ca -0.01 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1amu h ILE 104 Cb 1.33 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1amu h ILE 104 CO 0.09 0.31 0.15 1.23 0.00 0.00 0.00 178.15 179.92 1amu h GLY 105 N 0.84 0.43 0.78 5.37 0.00 -0.87 0.15 103.07 109.78 1amu h GLY 105 Ca 0.19 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1amu h GLY 105 CO -0.01 0.19 -0.09 -2.22 0.00 0.00 0.00 176.54 174.42 1amu h ILE 106 N 0.33 0.77 -0.74 2.60 2.04 -1.21 -0.58 117.51 120.73 1amu h ILE 106 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1amu h ILE 106 Cb 0.09 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1amu h ILE 106 CO -0.01 0.00 0.42 -0.07 0.00 0.00 0.00 178.15 178.49 1amu h LEU 107 N -0.16 0.90 -0.70 1.44 3.38 -1.25 -1.76 115.31 117.15 1amu h LEU 107 Ca 0.03 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1amu h LEU 107 Cb 0.20 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1amu h LEU 107 CO -0.08 0.71 0.25 0.00 0.09 0.00 0.00 178.44 179.41 1amu h ALA 108 N 1.44 0.92 -0.26 1.53 0.00 -0.44 0.11 119.26 122.56 1amu h ALA 108 Ca 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1amu h ALA 108 Cb -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1amu h ALA 108 CO -0.05 0.57 0.09 0.28 0.00 0.00 0.00 179.25 180.15 1amu h VAL 109 N 1.02 1.19 -0.52 0.00 2.07 -0.60 -1.45 116.25 117.96 1amu h VAL 109 Ca 0.23 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1amu h VAL 109 Cb 0.26 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1amu h VAL 109 CO -0.01 0.20 0.32 -0.07 0.02 0.00 0.00 177.57 178.03 1amu h LEU 110 N 0.26 0.62 -1.38 2.57 3.38 -1.01 -1.67 115.31 118.08 1amu h LEU 110 Ca 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1amu h LEU 110 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1amu h LEU 110 CO -0.00 0.49 0.13 0.11 0.09 0.00 0.00 178.44 179.26 1amu h LYS 111 N 0.70 0.55 0.00 1.13 1.57 -0.64 -1.67 116.57 118.21 1amu h LYS 111 Ca 0.19 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1amu h LYS 111 Cb -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1amu h LYS 111 CO -0.04 0.48 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 1amu n ALA 112 N -2.47 1.94 -0.29 3.86 0.00 -0.56 -4.65 120.51 118.33 1amu n ALA 112 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1amu n ALA 112 Cb 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1amu n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1amu n GLY 113 N 0.41 0.78 2.55 0.00 0.00 -0.63 -4.18 105.19 104.11 1amu n GLY 113 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1amu n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1amu n GLY 114 N -2.18 2.07 3.34 -0.02 0.00 -0.67 -2.98 105.19 104.75 1amu n GLY 114 Ca 0.00 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 1amu n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1amu s ALA 115 N -2.46 2.20 0.01 4.61 0.00 0.15 -4.06 121.76 122.21 1amu s ALA 115 Ca 0.37 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1amu s ALA 115 Cb -0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1amu s ALA 115 CO 0.24 0.51 0.08 1.52 0.00 0.00 0.00 175.76 178.10 1amu s TYR 116 N -0.90 3.27 -0.41 0.00 1.13 -0.75 -0.89 117.35 118.79 1amu s TYR 116 Ca 0.11 0.18 -0.00 0.00 -1.41 0.00 0.00 57.07 55.95 1amu s TYR 116 Cb -0.10 -1.72 0.11 0.00 -1.10 0.00 0.00 41.96 39.16 1amu s TYR 116 CO 0.03 0.54 0.18 0.08 -2.51 0.00 0.00 175.55 173.88 1amu s VAL 117 N -1.23 2.95 0.18 -3.49 1.01 -0.25 -1.50 120.40 118.07 1amu s VAL 117 Ca 0.24 -2.32 -0.31 0.00 0.00 0.00 0.00 61.98 59.59 1amu s VAL 117 Cb -0.12 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1amu s VAL 117 CO 0.16 -0.69 1.43 -2.84 0.00 0.00 0.00 175.10 173.15 1amu s PRO 118 N 0.85 4.30 -0.23 2.72 0.02 -1.26 -1.46 135.00 139.94 1amu s PRO 118 Ca 0.11 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1amu s PRO 118 Cb -0.22 -3.18 0.06 0.00 0.02 0.00 0.00 34.50 31.19 1amu s PRO 118 CO -0.05 -0.43 -0.04 0.42 -0.33 0.00 0.00 177.00 176.57 1amu s ILE 119 N 0.59 1.43 0.24 2.83 1.01 0.34 -4.67 121.20 122.98 1amu s ILE 119 Ca 0.63 -1.19 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1amu s ILE 119 Cb -0.40 -1.74 -0.10 0.00 0.01 0.00 0.00 42.46 40.24 1amu s ILE 119 CO 0.36 -0.14 1.44 -0.62 0.00 0.00 0.00 174.94 175.98 1amu s ASP 120 N 1.43 6.67 0.25 3.58 -1.08 -1.26 -4.29 116.67 121.97 1amu s ASP 120 Ca -0.05 2.64 0.26 0.00 -0.52 0.00 0.00 52.55 54.88 1amu s ASP 120 Cb -0.19 -2.62 0.82 0.00 -1.46 0.00 0.00 42.92 39.47 1amu s ASP 120 CO -0.07 -0.70 1.76 0.16 0.52 0.00 0.00 175.17 176.84 1amu h ILE 121 N 3.59 0.00 0.00 4.11 3.07 -1.93 -2.86 117.51 123.49 1amu h ILE 121 Ca -0.46 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 65.48 1amu h ILE 121 Cb 1.22 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 1amu h ILE 121 CO 0.79 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 177.27 1amu n GLU 122 N -2.36 0.86 -2.41 0.16 -0.58 -1.26 -4.87 120.64 110.17 1amu n GLU 122 Ca 0.05 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.47 1amu n GLU 122 Cb 0.40 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.74 1amu n GLU 122 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1amu s TYR 123 N -2.03 3.47 0.58 -0.32 1.51 -1.08 -5.08 117.35 114.41 1amu s TYR 123 Ca 0.42 1.38 -0.14 0.00 -1.01 0.00 0.00 57.07 57.72 1amu s TYR 123 Cb 0.19 -2.73 -0.05 0.00 -0.11 0.00 0.00 41.96 39.26 1amu s TYR 123 CO 0.33 -0.36 1.02 -2.14 -1.11 0.00 0.00 175.55 173.29 1amu s PRO 124 N -4.16 3.63 0.23 -1.71 0.02 -1.26 -4.93 135.00 126.82 1amu s PRO 124 Ca 0.57 0.92 -0.08 0.00 0.02 0.00 0.00 61.00 62.44 1amu s PRO 124 Cb -0.10 -2.09 0.37 0.00 0.02 0.00 0.00 34.50 32.70 1amu s PRO 124 CO 0.34 -0.54 1.68 1.57 -0.33 0.00 0.00 177.00 179.72 1amu h LYS 125 N 0.27 0.20 -0.77 5.54 -0.00 -1.94 -2.05 116.57 117.82 1amu h LYS 125 Ca -0.46 -0.01 0.15 0.00 -0.00 0.00 0.00 60.65 60.33 1amu h LYS 125 Cb 1.19 -0.04 -0.10 0.00 -0.00 0.00 0.00 32.23 33.28 1amu h LYS 125 CO 0.61 0.13 0.30 1.05 -0.00 0.00 0.00 179.45 181.53 1amu h GLU 126 N 0.20 0.41 -0.08 0.07 -0.00 -1.93 -1.20 114.58 112.06 1amu h GLU 126 Ca 0.36 -0.02 -0.13 0.00 -0.00 0.00 0.00 59.36 59.56 1amu h GLU 126 Cb 0.60 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.24 1amu h GLU 126 CO -0.50 0.27 -0.55 -0.09 -0.00 0.00 0.00 179.01 178.14 1amu h ARG 127 N 0.42 0.23 -0.07 1.06 9.65 -1.76 -2.30 114.38 121.61 1amu h ARG 127 Ca 0.43 -0.14 -0.13 0.00 -1.10 0.00 0.00 59.98 59.04 1amu h ARG 127 Cb 0.68 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 1amu h ARG 127 CO -0.43 0.72 -0.52 0.82 2.80 0.00 0.00 179.97 183.36 1amu h ILE 128 N 0.18 1.36 -0.01 1.20 2.04 -1.15 -2.06 117.51 119.06 1amu h ILE 128 Ca 0.00 -1.79 -0.20 0.00 1.00 0.00 0.00 64.86 63.87 1amu h ILE 128 Cb 1.03 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1amu h ILE 128 CO 0.08 0.53 -0.87 -0.61 0.00 0.00 0.00 178.15 177.28 1amu h GLN 129 N 0.15 0.30 -0.20 2.37 5.75 -1.12 -0.74 115.11 121.61 1amu h GLN 129 Ca 0.00 -0.31 -0.09 0.00 -0.15 0.00 0.00 58.65 58.11 1amu h GLN 129 Cb 0.97 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 1amu h GLN 129 CO 0.08 1.00 -0.21 -0.92 -2.65 0.00 0.00 178.83 176.13 1amu h TYR 130 N 0.17 0.60 -0.12 3.99 3.20 -1.24 0.28 116.97 123.86 1amu h TYR 130 Ca -0.05 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.63 1amu h TYR 130 Cb 1.50 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 1amu h TYR 130 CO 0.04 0.86 0.07 0.82 -1.64 0.00 0.00 178.16 178.31 1amu h ILE 131 N 0.17 1.07 -0.48 1.81 2.04 -1.39 0.49 117.51 121.23 1amu h ILE 131 Ca 0.03 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1amu h ILE 131 Cb 0.76 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1amu h ILE 131 CO 0.05 0.07 0.06 -0.07 0.00 0.00 0.00 178.15 178.26 1amu h LEU 132 N 0.12 0.78 -0.08 1.44 4.07 -1.11 0.12 115.31 120.64 1amu h LEU 132 Ca 0.04 -0.27 -0.10 0.00 0.08 0.00 0.00 57.88 57.63 1amu h LEU 132 Cb 0.05 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.59 1amu h LEU 132 CO -0.01 0.85 -0.33 0.44 -1.08 0.00 0.00 178.44 178.32 1amu h ASP 133 N 0.67 0.43 0.31 -0.43 5.19 -0.34 -1.36 116.42 120.89 1amu h ASP 133 Ca 0.14 -0.63 -0.02 0.00 -0.62 0.00 0.00 57.03 55.90 1amu h ASP 133 Cb 0.42 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1amu h ASP 133 CO 0.01 0.99 -0.15 -0.78 -3.12 0.00 0.00 179.24 176.20 1amu h ASP 134 N -0.11 -0.36 0.33 6.45 1.82 -0.02 -3.06 116.42 121.48 1amu h ASP 134 Ca -0.02 -0.13 -0.05 0.00 -0.39 0.00 0.00 57.03 56.44 1amu h ASP 134 Cb 0.97 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.07 1amu h ASP 134 CO 0.07 -0.06 -0.23 0.77 -1.61 0.00 0.00 179.24 178.18 1amu h SER 135 N -0.67 0.00 -6.08 2.28 4.64 -0.88 -3.47 113.55 109.38 1amu h SER 135 Ca -0.04 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.82 1amu h SER 135 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1amu h SER 135 CO 0.07 0.23 -0.72 0.00 -0.87 0.00 0.00 176.83 175.54 1amu n GLN 136 N -4.02 -5.93 -1.70 4.77 10.64 -0.51 -4.87 117.38 115.75 1amu n GLN 136 Ca -0.02 0.66 -0.43 0.00 -1.83 0.00 0.00 57.00 55.37 1amu n GLN 136 Cb 0.31 -5.58 -0.03 0.00 -0.86 0.00 0.00 30.24 24.07 1amu n GLN 136 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1amu n ALA 137 N -4.65 2.35 0.41 2.61 0.00 -1.24 -4.88 120.51 115.10 1amu n ALA 137 Ca 0.03 0.41 0.13 0.00 0.00 0.00 0.00 53.44 54.01 1amu n ALA 137 Cb 0.54 -2.48 0.43 0.00 0.00 0.00 0.00 19.45 17.94 1amu n ALA 137 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1amu h ARG 138 N 6.64 0.00 -3.81 0.00 0.11 -1.88 -3.44 114.38 112.01 1amu h ARG 138 Ca -0.44 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.45 1amu h ARG 138 Cb 1.22 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 32.06 1amu h ARG 138 CO 0.94 0.00 -0.68 1.41 0.10 0.00 0.00 179.97 181.74 1amu s MET 139 N -3.29 0.20 -0.22 0.08 0.00 -1.25 -1.55 119.30 113.28 1amu s MET 139 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 55.69 55.44 1amu s MET 139 Cb 0.09 0.08 0.06 0.00 0.00 0.00 0.00 34.83 35.06 1amu s MET 139 CO 0.55 -0.03 -0.03 -1.17 0.00 0.00 0.00 175.02 174.34 1amu s LEU 140 N -0.82 2.10 -0.12 4.11 2.96 -0.50 -0.42 118.68 126.00 1amu s LEU 140 Ca -0.09 -1.03 -0.23 0.00 -0.22 0.00 0.00 54.13 52.55 1amu s LEU 140 Cb -0.06 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 1amu s LEU 140 CO -0.00 -0.25 0.72 -0.22 -1.32 0.00 0.00 176.35 175.28 1amu s LEU 141 N 1.54 4.24 0.00 -0.68 2.96 0.84 -0.47 118.68 127.11 1amu s LEU 141 Ca -0.04 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1amu s LEU 141 Cb -0.18 -3.09 0.00 0.00 0.50 0.00 0.00 46.19 43.42 1amu s LEU 141 CO -0.07 -0.23 0.00 1.07 -1.32 0.00 0.00 176.35 175.80 1amu n THR 142 N 4.24 0.00 -4.46 3.68 5.66 -0.33 -0.68 114.28 122.40 1amu n THR 142 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1amu n THR 142 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1amu n THR 142 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1amu s GLN 143 N -1.79 1.70 0.18 1.09 -0.21 -1.26 0.18 119.66 119.55 1amu s GLN 143 Ca 0.00 -1.76 -0.14 0.00 0.02 0.00 0.00 55.36 53.48 1amu s GLN 143 Cb 0.00 -1.79 0.16 0.00 1.00 0.00 0.00 33.01 32.38 1amu s GLN 143 CO 0.00 0.33 1.69 1.57 -2.12 0.00 0.00 175.29 176.76 1amu h LYS 144 N 2.26 0.12 0.00 2.91 5.09 -1.94 -1.98 116.57 123.02 1amu h LYS 144 Ca -0.40 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.33 1amu h LYS 144 Cb 1.26 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.56 1amu h LYS 144 CO 0.60 0.08 0.00 -2.39 -2.09 0.00 0.00 179.45 175.65 1amu n HIS 145 N -5.21 0.00 0.80 0.07 1.44 -1.26 -2.95 115.22 108.12 1amu n HIS 145 Ca 0.04 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.84 1amu n HIS 145 Cb 0.24 -0.36 -0.02 0.00 0.12 0.00 0.00 29.99 29.98 1amu n HIS 145 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1amu n LEU 146 N -1.36 1.62 0.30 2.39 4.77 -0.75 -4.61 117.00 119.37 1amu n LEU 146 Ca 0.06 -0.73 0.19 0.00 -0.03 0.00 0.00 56.01 55.50 1amu n LEU 146 Cb 0.13 0.00 1.01 0.00 -2.33 0.00 0.00 43.42 42.23 1amu n LEU 146 CO 0.11 0.31 1.16 0.58 -1.33 0.00 0.00 177.39 178.22 1amu h VAL 147 N 1.71 0.23 -0.36 4.08 2.07 -1.57 -0.98 116.25 121.44 1amu h VAL 147 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1amu h VAL 147 Cb 0.58 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1amu h VAL 147 CO 0.00 0.00 -0.11 1.12 0.02 0.00 0.00 177.57 178.60 1amu h HIS 148 N 0.00 0.66 -0.21 1.57 2.07 -1.85 -0.27 115.15 117.13 1amu h HIS 148 Ca 0.02 -0.11 0.06 0.00 -2.85 0.00 0.00 60.37 57.49 1amu h HIS 148 Cb 0.20 -0.18 -0.01 0.00 2.57 0.00 0.00 27.41 29.99 1amu h HIS 148 CO 0.00 0.70 0.15 -0.07 -3.07 0.00 0.00 177.93 175.64 1amu h LEU 149 N 0.57 0.01 -0.26 6.12 3.38 -1.52 -1.85 115.31 121.76 1amu h LEU 149 Ca 0.10 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1amu h LEU 149 Cb 0.52 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1amu h LEU 149 CO 0.03 0.01 -0.72 0.40 0.09 0.00 0.00 178.44 178.25 1amu h ILE 150 N 0.01 1.33 0.00 1.22 2.04 -1.13 -3.22 117.51 117.77 1amu h ILE 150 Ca 0.10 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1amu h ILE 150 Cb 0.38 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1amu h ILE 150 CO -0.00 0.71 0.00 0.00 0.00 0.00 0.00 178.15 178.85 1amu n HIS 151 N -3.42 0.00 -1.19 1.37 1.44 -0.69 -2.20 115.22 110.53 1amu n HIS 151 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 1amu n HIS 151 Cb 0.77 0.00 0.22 0.00 0.12 0.00 0.00 29.99 31.10 1amu n HIS 151 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1amu n ASN 152 N -0.61 3.14 -3.79 4.39 0.23 -1.22 -5.01 115.26 112.40 1amu n ASN 152 Ca 0.02 -3.34 -0.11 0.00 -0.53 0.00 0.00 54.58 50.63 1amu n ASN 152 Cb 0.01 -0.57 -0.08 0.00 -2.08 0.00 0.00 39.78 37.06 1amu n ASN 152 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1amu s ILE 153 N -3.01 0.09 -1.22 1.53 1.01 -0.93 -4.92 121.20 113.75 1amu s ILE 153 Ca 0.42 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 1amu s ILE 153 Cb 0.36 -0.89 0.20 0.00 0.01 0.00 0.00 42.46 42.14 1amu s ILE 153 CO 0.04 -0.41 1.88 0.00 0.00 0.00 0.00 174.94 176.46 1amu n GLN 154 N 0.68 4.15 -3.34 2.79 6.02 -1.26 -4.99 117.38 121.43 1amu n GLN 154 Ca -0.19 -3.83 -0.37 0.00 -0.01 0.00 0.00 57.00 52.60 1amu n GLN 154 Cb 0.59 -2.74 -0.06 0.00 1.02 0.00 0.00 30.24 29.05 1amu n GLN 154 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1amu s PHE 155 N -1.00 3.69 0.00 1.08 5.36 -1.26 -4.98 117.98 120.87 1amu s PHE 155 Ca 0.40 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 1amu s PHE 155 Cb 0.11 -2.41 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1amu s PHE 155 CO 0.00 0.51 0.00 0.27 -1.46 0.00 0.00 175.22 174.54 1amu n ASN 156 N 1.23 1.88 -4.25 6.13 2.04 -1.26 -5.09 115.26 115.95 1amu n ASN 156 Ca -0.08 -0.19 -0.30 0.00 -0.44 0.00 0.00 54.58 53.58 1amu n ASN 156 Cb 0.51 0.75 0.17 0.00 -2.53 0.00 0.00 39.78 38.68 1amu n ASN 156 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1amu s GLY 157 N -1.12 1.75 -0.09 4.83 0.00 -1.26 -4.97 107.32 106.46 1amu s GLY 157 Ca 0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 44.72 43.31 1amu s GLY 157 CO 0.00 -0.39 1.96 1.20 0.00 0.00 0.00 173.10 175.87 1amu s GLN 158 N -5.84 3.77 -0.52 2.90 -0.21 -0.59 -4.86 119.66 114.31 1amu s GLN 158 Ca 0.72 2.23 -0.19 0.00 0.02 0.00 0.00 55.36 58.14 1amu s GLN 158 Cb -0.05 -4.19 0.07 0.00 1.00 0.00 0.00 33.01 29.83 1amu s GLN 158 CO 0.52 -1.37 0.63 0.08 -2.12 0.00 0.00 175.29 173.04 1amu s VAL 159 N 5.75 4.88 -0.36 1.09 1.01 -1.26 -1.41 120.40 130.09 1amu s VAL 159 Ca 0.88 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 1amu s VAL 159 Cb -0.36 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 31.71 1amu s VAL 159 CO 0.37 -0.85 0.65 -0.70 0.00 0.00 0.00 175.10 174.57 1amu s GLU 160 N 2.61 3.64 -0.10 2.72 2.56 0.38 -4.97 118.70 125.55 1amu s GLU 160 Ca 0.14 0.03 -0.25 0.00 0.00 0.00 0.00 54.97 54.90 1amu s GLU 160 Cb -0.20 -3.82 -0.03 0.00 2.00 0.00 0.00 34.13 32.08 1amu s GLU 160 CO 0.11 -0.77 0.78 0.42 -0.56 0.00 0.00 175.26 175.24 1amu s ILE 161 N 2.76 4.96 -0.76 -3.70 -1.09 -1.26 -1.18 121.20 120.93 1amu s ILE 161 Ca 0.25 1.58 -0.06 0.00 -2.23 0.00 0.00 60.65 60.19 1amu s ILE 161 Cb -0.14 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 1amu s ILE 161 CO 0.15 0.15 2.92 0.33 -1.23 0.00 0.00 174.94 177.27 1amu n PHE 162 N 4.37 1.59 -3.87 3.97 -0.00 0.13 -4.77 117.46 118.87 1amu n PHE 162 Ca 0.02 -2.24 -0.30 0.00 -0.00 0.00 0.00 57.45 54.92 1amu n PHE 162 Cb 0.50 -1.73 -0.15 0.00 -0.00 0.00 0.00 39.48 38.10 1amu n PHE 162 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1amu s GLU 163 N -0.27 1.20 -0.27 -4.13 2.56 -1.26 -4.83 118.70 111.69 1amu s GLU 163 Ca 0.62 -1.19 -0.01 0.00 0.00 0.00 0.00 54.97 54.38 1amu s GLU 163 Cb 0.28 -2.49 0.04 0.00 2.00 0.00 0.00 34.13 33.96 1amu s GLU 163 CO -0.11 -0.82 -0.05 -1.83 -0.56 0.00 0.00 175.26 171.89 1amu s GLU 164 N 1.39 2.62 0.04 4.30 -1.05 -1.26 -4.51 118.70 120.23 1amu s GLU 164 Ca 0.04 -1.12 0.20 0.00 -0.15 0.00 0.00 54.97 53.93 1amu s GLU 164 Cb -0.18 -3.03 -0.17 0.00 -0.44 0.00 0.00 34.13 30.31 1amu s GLU 164 CO -0.13 -0.50 0.70 -0.25 0.95 0.00 0.00 175.26 176.03 1amu n ASP 165 N 4.62 0.54 -0.34 0.83 9.92 -1.26 -4.22 116.55 126.64 1amu n ASP 165 Ca -0.15 0.23 0.06 0.00 -0.53 0.00 0.00 54.79 54.40 1amu n ASP 165 Cb 0.45 0.79 0.22 0.00 -0.64 0.00 0.00 41.12 41.94 1amu n ASP 165 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1amu h THR 166 N 0.00 0.90 0.01 -3.53 2.02 -2.02 -1.89 112.91 108.40 1amu h THR 166 Ca -0.13 -0.32 -0.21 0.00 0.77 0.00 0.00 66.41 66.53 1amu h THR 166 Cb 1.38 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1amu h THR 166 CO 0.02 0.17 -0.91 0.40 0.37 0.00 0.00 175.52 175.57 1amu h ILE 167 N 0.92 1.47 0.00 3.11 2.04 -1.91 -3.20 117.51 119.93 1amu h ILE 167 Ca 0.47 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.74 1amu h ILE 167 Cb 0.48 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1amu h ILE 167 CO -0.27 0.76 0.00 2.29 0.00 0.00 0.00 178.15 180.93 1amu n LYS 168 N -3.68 0.13 0.00 2.37 0.00 -0.73 -2.43 118.16 113.82 1amu n LYS 168 Ca -0.05 0.40 0.13 0.00 -0.00 0.00 0.00 58.31 58.79 1amu n LYS 168 Cb 0.82 -1.77 0.37 0.00 -0.00 0.00 0.00 35.03 34.45 1amu n LYS 168 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1amu n ILE 169 N -2.01 0.00 -2.82 0.58 -6.64 -1.11 -4.93 119.36 102.42 1amu n ILE 169 Ca 0.02 -0.04 -0.20 0.00 -1.77 0.00 0.00 62.75 60.76 1amu n ILE 169 Cb 0.18 0.18 0.02 0.00 -1.44 0.00 0.00 39.64 38.59 1amu n ILE 169 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1amu s ARG 170 N -2.79 2.70 0.36 6.28 1.81 -1.02 -5.08 118.95 121.21 1amu s ARG 170 Ca 0.17 -0.92 -0.26 0.00 -1.72 0.00 0.00 55.73 53.00 1amu s ARG 170 Cb 0.18 -2.60 -0.09 0.00 -0.45 0.00 0.00 34.95 32.00 1amu s ARG 170 CO 0.60 -0.50 1.11 -2.00 -0.68 0.00 0.00 175.30 173.83 1amu s GLU 171 N -4.59 4.27 -0.07 3.54 2.56 -1.26 -4.89 118.70 118.26 1amu s GLU 171 Ca 0.55 1.72 0.12 0.00 0.00 0.00 0.00 54.97 57.37 1amu s GLU 171 Cb -0.10 -2.79 0.37 0.00 2.00 0.00 0.00 34.13 33.61 1amu s GLU 171 CO 0.36 -0.10 1.30 0.41 -0.56 0.00 0.00 175.26 176.67 1amu n GLY 172 N 0.70 3.31 3.82 -1.50 0.00 -1.26 -3.63 105.19 106.63 1amu n GLY 172 Ca 0.03 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1amu n GLY 172 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1amu s THR 173 N -1.72 3.10 0.25 2.61 -4.23 -1.26 -4.35 115.64 110.04 1amu s THR 173 Ca 0.29 0.36 -0.30 0.00 -1.18 0.00 0.00 61.69 60.86 1amu s THR 173 Cb 0.20 -3.15 -0.10 0.00 1.34 0.00 0.00 72.50 70.79 1amu s THR 173 CO 0.12 -0.47 1.36 0.20 -0.54 0.00 0.00 174.62 175.29 1amu s ASN 174 N -3.99 6.77 0.90 3.99 0.01 -1.26 -4.82 114.94 116.53 1amu s ASN 174 Ca 0.60 2.58 -0.13 0.00 -0.71 0.00 0.00 52.86 55.20 1amu s ASN 174 Cb -0.14 -2.63 0.13 0.00 0.41 0.00 0.00 41.25 39.03 1amu s ASN 174 CO 0.54 -0.59 1.18 -0.76 -1.51 0.00 0.00 177.10 175.96 1amu s LEU 175 N -0.66 2.24 -0.27 0.60 1.02 -1.26 -5.02 118.68 115.34 1amu s LEU 175 Ca 0.56 0.76 0.17 0.00 0.02 0.00 0.00 54.13 55.64 1amu s LEU 175 Cb -0.39 -3.07 0.49 0.00 0.02 0.00 0.00 46.19 43.23 1amu s LEU 175 CO 0.44 -2.42 1.14 0.00 0.02 0.00 0.00 176.35 175.54 1amu n HIS 176 N -3.65 1.81 -1.76 0.29 1.44 -1.26 -5.08 115.22 107.02 1amu n HIS 176 Ca 0.09 -2.15 -0.42 0.00 -2.01 0.00 0.00 57.72 53.23 1amu n HIS 176 Cb 0.60 -0.27 -0.03 0.00 0.12 0.00 0.00 29.99 30.41 1amu n HIS 176 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1amu s VAL 177 N -4.06 2.10 -0.75 0.61 1.01 -1.26 -4.86 120.40 113.18 1amu s VAL 177 Ca 0.37 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 1amu s VAL 177 Cb 0.36 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 1amu s VAL 177 CO -0.01 0.01 2.07 -2.84 0.00 0.00 0.00 175.10 174.32 1amu s PRO 178 N 1.04 2.34 -0.05 2.72 0.02 -1.26 -4.93 135.00 134.87 1amu s PRO 178 Ca 0.73 0.32 0.03 0.00 0.02 0.00 0.00 61.00 62.10 1amu s PRO 178 Cb -0.49 -4.76 -0.03 0.00 0.02 0.00 0.00 34.50 29.24 1amu s PRO 178 CO 0.33 -3.38 -0.12 -1.12 -0.33 0.00 0.00 177.00 172.38 1amu s SER 179 N 9.11 4.22 0.21 2.53 0.01 -1.26 -4.98 113.70 123.53 1amu s SER 179 Ca 0.77 -0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.95 1amu s SER 179 Cb -0.11 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 1amu s SER 179 CO 0.10 0.35 0.09 -0.54 0.41 0.00 0.00 173.24 173.65 1amu s LYS 180 N -0.79 2.66 0.28 12.44 1.02 -1.26 -4.90 119.74 129.20 1amu s LYS 180 Ca 0.12 -1.07 0.25 0.00 0.02 0.00 0.00 55.97 55.28 1amu s LYS 180 Cb -0.11 -2.46 1.00 0.00 -0.52 0.00 0.00 37.83 35.74 1amu s LYS 180 CO 0.01 0.44 1.74 0.66 -0.92 0.00 0.00 175.35 177.27 1amu h SER 181 N 2.18 0.00 0.04 2.83 4.64 -1.80 -1.82 113.55 119.62 1amu h SER 181 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1amu h SER 181 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1amu h SER 181 CO 0.61 0.00 -0.04 0.35 -0.87 0.00 0.00 176.83 176.88 1amu n THR 182 N -2.31 0.00 -1.81 2.95 -2.24 -1.26 -0.79 114.28 108.81 1amu n THR 182 Ca 0.02 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 1amu n THR 182 Cb 0.25 0.31 0.03 0.00 -2.10 0.00 0.00 70.33 68.82 1amu n THR 182 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1amu s ASP 183 N -2.09 5.54 0.51 3.42 1.01 -0.69 -4.79 116.67 119.58 1amu s ASP 183 Ca 0.37 1.75 -0.22 0.00 0.71 0.00 0.00 52.55 55.16 1amu s ASP 183 Cb 0.21 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.56 1amu s ASP 183 CO 0.37 -1.34 1.22 -0.76 0.21 0.00 0.00 175.17 174.87 1amu s LEU 184 N -4.99 3.89 -0.04 1.23 1.43 -1.26 -1.79 118.68 117.15 1amu s LEU 184 Ca 0.61 2.43 -0.01 0.00 -1.03 0.00 0.00 54.13 56.13 1amu s LEU 184 Cb -0.15 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 1amu s LEU 184 CO 0.45 -1.22 -0.05 0.00 0.23 0.00 0.00 176.35 175.76 1amu n ALA 185 N -0.87 2.26 -3.14 4.21 0.00 0.93 -4.33 120.51 119.57 1amu n ALA 185 Ca 0.09 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1amu n ALA 185 Cb 0.48 0.42 -0.04 0.00 0.00 0.00 0.00 19.45 20.31 1amu n ALA 185 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1amu s TYR 186 N -2.09 -0.31 -0.18 0.00 1.13 -1.10 -1.81 117.35 112.99 1amu s TYR 186 Ca -0.06 0.03 -0.01 0.00 -1.41 0.00 0.00 57.07 55.62 1amu s TYR 186 Cb 0.02 0.36 0.05 0.00 -1.10 0.00 0.00 41.96 41.28 1amu s TYR 186 CO 0.09 -0.75 -0.03 0.08 -2.51 0.00 0.00 175.55 172.43 1amu s VAL 187 N -3.78 1.05 -0.12 -3.49 1.01 -0.56 -1.49 120.40 113.01 1amu s VAL 187 Ca 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1amu s VAL 187 Cb 0.01 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1amu s VAL 187 CO -0.12 0.02 -0.14 -0.63 0.00 0.00 0.00 175.10 174.22 1amu s ILE 188 N 1.64 2.94 -0.13 2.22 1.01 -0.95 -4.17 121.20 123.76 1amu s ILE 188 Ca -0.01 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 1amu s ILE 188 Cb -0.16 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1amu s ILE 188 CO -0.07 0.53 0.74 -0.31 0.00 0.00 0.00 174.94 175.83 1amu s TYR 189 N 0.28 3.48 0.19 3.97 1.51 -1.26 -0.76 117.35 124.76 1amu s TYR 189 Ca -0.11 1.20 0.10 0.00 -1.01 0.00 0.00 57.07 57.25 1amu s TYR 189 Cb -0.16 -2.89 -0.04 0.00 -0.11 0.00 0.00 41.96 38.76 1amu s TYR 189 CO 0.06 -0.09 -0.18 -0.08 -1.11 0.00 0.00 175.55 174.15 1amu s THR 190 N 1.52 2.72 -0.53 -0.71 -1.32 -0.26 -4.97 115.64 112.09 1amu s THR 190 Ca 0.36 -1.89 -0.27 0.00 -1.21 0.00 0.00 61.69 58.68 1amu s THR 190 Cb -0.17 -2.33 -0.09 0.00 -1.51 0.00 0.00 72.50 68.40 1amu s THR 190 CO 0.15 -0.13 2.43 -1.54 -2.21 0.00 0.00 174.62 173.32 1amu n SER 191 N 0.13 2.12 -3.73 8.08 3.41 -1.26 -1.85 113.62 120.53 1amu n SER 191 Ca -0.11 -0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.03 1amu n SER 191 Cb 0.56 -1.49 -0.14 0.00 -0.26 0.00 0.00 64.21 62.88 1amu n SER 191 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1amu s PRO 197 N 8.16 0.16 0.23 4.33 0.02 -1.26 -5.13 135.00 141.51 1amu s PRO 197 Ca 1.04 0.50 -0.30 0.00 0.02 0.00 0.00 61.00 62.26 1amu s PRO 197 Cb -0.35 -0.14 -0.09 0.00 0.02 0.00 0.00 34.50 33.94 1amu s PRO 197 CO 0.31 -0.18 1.11 -1.59 -0.33 0.00 0.00 177.00 176.32 1amu s LYS 198 N 1.36 4.60 -0.35 5.54 0.00 -0.77 -4.99 119.74 125.14 1amu s LYS 198 Ca -0.08 1.78 -0.20 0.00 0.00 0.00 0.00 55.97 57.47 1amu s LYS 198 Cb -0.11 -3.23 -0.00 0.00 0.00 0.00 0.00 37.83 34.49 1amu s LYS 198 CO -0.08 0.12 0.62 0.20 0.00 0.00 0.00 175.35 176.22 1amu s GLY 199 N -0.47 1.76 -0.13 0.59 0.00 -1.26 -1.10 107.32 106.71 1amu s GLY 199 Ca 0.47 -0.83 -0.24 0.00 0.00 0.00 0.00 44.72 44.12 1amu s GLY 199 CO 0.38 1.46 0.74 -1.59 0.00 0.00 0.00 173.10 174.09 1amu s THR 200 N 2.66 4.98 -0.40 0.90 2.01 0.06 -0.02 115.64 125.83 1amu s THR 200 Ca 0.24 1.47 -0.20 0.00 0.31 0.00 0.00 61.69 63.51 1amu s THR 200 Cb -0.15 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1amu s THR 200 CO 0.14 0.14 0.60 -0.04 -0.69 0.00 0.00 174.62 174.77 1amu s MET 201 N 1.51 3.42 -0.13 4.92 -1.94 -0.16 -2.25 119.30 124.67 1amu s MET 201 Ca 0.36 -0.27 -0.03 0.00 -1.71 0.00 0.00 55.69 54.04 1amu s MET 201 Cb -0.17 -3.89 -0.03 0.00 2.01 0.00 0.00 34.83 32.75 1amu s MET 201 CO 0.15 -0.87 -0.03 -0.51 -0.01 0.00 0.00 175.02 173.75 1amu s LEU 202 N 2.67 3.35 0.76 -0.03 2.01 -0.56 -0.85 118.68 126.03 1amu s LEU 202 Ca 0.21 -0.03 -0.05 0.00 0.01 0.00 0.00 54.13 54.28 1amu s LEU 202 Cb -0.15 -1.79 0.13 0.00 0.01 0.00 0.00 46.19 44.40 1amu s LEU 202 CO 0.17 0.25 1.05 -1.61 1.01 0.00 0.00 176.35 177.22 1amu s GLU 203 N -0.13 1.57 0.17 1.70 2.02 -1.26 -0.05 118.70 122.72 1amu s GLU 203 Ca 0.03 -0.85 -0.10 0.00 0.02 0.00 0.00 54.97 54.07 1amu s GLU 203 Cb -0.13 -2.22 0.03 0.00 0.10 0.00 0.00 34.13 31.91 1amu s GLU 203 CO 0.02 -1.58 1.59 0.45 0.02 0.00 0.00 175.26 175.76 1amu h HIS 204 N -0.73 1.14 -0.84 1.61 3.86 -0.50 -3.35 115.15 116.32 1amu h HIS 204 Ca -0.39 -0.24 0.13 0.00 -1.16 0.00 0.00 60.37 58.70 1amu h HIS 204 Cb 1.27 -0.28 -0.13 0.00 1.06 0.00 0.00 27.41 29.32 1amu h HIS 204 CO -0.30 1.06 -0.34 1.63 0.86 0.00 0.00 177.93 180.83 1amu n LYS 205 N -4.16 -0.21 -0.15 2.45 5.02 0.03 -1.38 118.16 119.75 1amu n LYS 205 Ca 0.01 1.30 0.08 0.00 -2.02 0.00 0.00 58.31 57.68 1amu n LYS 205 Cb 0.40 -1.92 0.40 0.00 -0.02 0.00 0.00 35.03 33.89 1amu n LYS 205 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1amu h GLY 206 N 0.00 0.85 1.48 0.72 0.00 -1.70 -0.91 103.07 103.52 1amu h GLY 206 Ca 0.28 -0.26 -0.23 0.00 0.00 0.00 0.00 47.33 47.11 1amu h GLY 206 CO -0.83 0.18 -0.97 -2.22 0.00 0.00 0.00 176.54 172.70 1amu h ILE 207 N 0.65 1.38 -0.98 2.60 1.08 -1.45 -1.53 117.51 119.26 1amu h ILE 207 Ca 0.30 -2.42 0.04 0.00 -0.39 0.00 0.00 64.86 62.39 1amu h ILE 207 Cb 0.34 2.42 -0.06 0.00 -3.07 0.00 0.00 36.82 36.46 1amu h ILE 207 CO -0.10 0.73 0.64 0.28 -0.69 0.00 0.00 178.15 179.01 1amu h SER 208 N 0.26 1.05 -0.36 1.72 0.02 -0.82 0.66 113.55 116.09 1amu h SER 208 Ca -0.09 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 1amu h SER 208 Cb 1.61 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 1amu h SER 208 CO 0.17 0.71 -0.06 -1.13 -1.14 0.00 0.00 176.83 175.39 1amu h ASN 209 N 1.22 0.67 -0.38 3.07 -1.24 -1.10 -3.07 115.58 114.75 1amu h ASN 209 Ca 0.39 -0.35 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 1amu h ASN 209 Cb 0.03 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 1amu h ASN 209 CO -0.13 0.86 0.19 -0.07 -1.29 0.00 0.00 177.43 177.00 1amu h LEU 210 N 0.47 0.53 -0.40 0.34 3.38 -0.30 -2.51 115.31 116.82 1amu h LEU 210 Ca 0.09 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1amu h LEU 210 Cb 0.56 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 1amu h LEU 210 CO 0.03 0.46 -0.15 0.50 0.09 0.00 0.00 178.44 179.37 1amu h LYS 211 N 0.59 -0.07 -0.32 1.13 3.64 -0.80 0.23 116.57 120.97 1amu h LYS 211 Ca 0.15 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1amu h LYS 211 Cb 0.08 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1amu h LYS 211 CO -0.02 -0.05 -0.20 0.28 -2.27 0.00 0.00 179.45 177.19 1amu h VAL 212 N -0.07 1.26 -0.64 2.00 2.07 -1.54 -2.49 116.25 116.83 1amu h VAL 212 Ca 0.20 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 1amu h VAL 212 Cb 0.37 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1amu h VAL 212 CO -0.45 0.40 0.26 0.15 0.02 0.00 0.00 177.57 177.95 1amu h PHE 213 N 0.53 0.97 -0.80 1.57 3.57 -0.88 0.15 116.94 122.06 1amu h PHE 213 Ca 0.08 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1amu h PHE 213 Cb 0.64 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1amu h PHE 213 CO 0.03 0.76 0.53 0.74 -2.23 0.00 0.00 178.31 178.14 1amu h PHE 214 N 0.90 1.01 -0.01 0.41 0.04 -0.19 0.21 116.94 119.30 1amu h PHE 214 Ca 0.21 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.94 1amu h PHE 214 Cb 0.20 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1amu h PHE 214 CO 0.01 0.64 -0.25 0.93 -0.60 0.00 0.00 178.31 179.04 1amu h GLU 215 N 1.08 0.18 0.08 1.51 5.08 -1.19 -1.00 114.58 120.32 1amu h GLU 215 Ca 0.29 -0.18 -0.31 0.00 -1.00 0.00 0.00 59.36 58.16 1amu h GLU 215 Cb -0.12 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1amu h GLU 215 CO -0.06 0.91 -1.65 -0.91 -1.00 0.00 0.00 179.01 176.30 1amu h ASN 216 N -0.48 0.26 0.00 1.42 2.35 -0.65 -3.05 115.58 115.43 1amu h ASN 216 Ca -0.03 -0.44 -0.17 0.00 -0.55 0.00 0.00 56.30 55.10 1amu h ASN 216 Cb 0.99 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.25 1amu h ASN 216 CO 0.05 1.38 -1.17 -0.24 -1.65 0.00 0.00 177.43 175.80 1amu n SER 217 N -3.34 1.86 0.11 5.81 2.88 0.67 -4.44 113.62 117.18 1amu n SER 217 Ca -0.19 0.47 0.13 0.00 -1.33 0.00 0.00 58.87 57.96 1amu n SER 217 Cb 1.04 -0.90 0.39 0.00 -0.75 0.00 0.00 64.21 63.99 1amu n SER 217 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1amu h LEU 218 N -1.00 0.00 -0.69 2.46 3.38 -1.30 -3.48 115.31 114.68 1amu h LEU 218 Ca -0.26 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.33 1amu h LEU 218 Cb 1.07 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.95 1amu h LEU 218 CO -0.16 0.00 -0.64 0.59 0.09 0.00 0.00 178.44 178.32 1amu n ASN 219 N -2.33 -6.20 -4.72 -0.43 3.02 -0.69 -4.98 115.26 98.94 1amu n ASN 219 Ca 0.05 -0.49 -0.41 0.00 -0.03 0.00 0.00 54.58 53.70 1amu n ASN 219 Cb 0.44 -4.84 -0.04 0.00 -0.61 0.00 0.00 39.78 34.73 1amu n ASN 219 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1amu s VAL 220 N -3.29 4.80 0.41 2.41 1.01 -0.46 -4.99 120.40 120.28 1amu s VAL 220 Ca 0.54 1.94 0.03 0.00 0.00 0.00 0.00 61.98 64.50 1amu s VAL 220 Cb -0.24 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1amu s VAL 220 CO 0.67 0.23 0.12 0.35 0.00 0.00 0.00 175.10 176.46 1amu n THR 221 N 3.54 0.00 0.30 3.92 -2.24 -1.26 -4.43 114.28 114.11 1amu n THR 221 Ca 0.03 -2.30 0.17 0.00 -2.27 0.00 0.00 64.05 59.69 1amu n THR 221 Cb 0.51 0.77 0.95 0.00 -2.10 0.00 0.00 70.33 70.45 1amu n THR 221 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1amu h GLU 222 N 0.00 0.00 0.00 -0.78 4.11 -1.79 -2.22 114.58 113.90 1amu h GLU 222 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1amu h GLU 222 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1amu h GLU 222 CO 0.51 0.03 0.00 0.87 0.07 0.00 0.00 179.01 180.49 1amu h LYS 223 N 0.00 0.00 -7.09 1.06 6.56 -1.93 -3.37 116.57 111.80 1amu h LYS 223 Ca -0.00 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 59.11 1amu h LYS 223 Cb 0.12 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 31.82 1amu h LYS 223 CO 0.00 0.00 0.39 -0.51 -2.06 0.00 0.00 179.45 177.28 1amu s ASP 224 N -5.14 6.15 -0.23 0.86 1.01 -0.83 -4.97 116.67 113.52 1amu s ASP 224 Ca 0.03 1.95 0.02 0.00 0.71 0.00 0.00 52.55 55.26 1amu s ASP 224 Cb 0.09 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.51 1amu s ASP 224 CO 0.50 -0.91 -0.12 -0.13 0.21 0.00 0.00 175.17 174.71 1amu s ARG 225 N -3.37 2.31 -0.28 8.23 0.52 -1.26 -2.34 118.95 122.76 1amu s ARG 225 Ca 0.68 -1.13 -0.15 0.00 -0.52 0.00 0.00 55.73 54.61 1amu s ARG 225 Cb -0.18 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 1amu s ARG 225 CO 0.24 -0.47 0.36 0.42 0.02 0.00 0.00 175.30 175.87 1amu s ILE 226 N 1.21 5.18 0.34 1.52 -1.09 0.39 -1.20 121.20 127.55 1amu s ILE 226 Ca -0.05 0.50 -0.28 0.00 -2.23 0.00 0.00 60.65 58.60 1amu s ILE 226 Cb -0.18 -3.70 -0.09 0.00 -1.58 0.00 0.00 42.46 36.91 1amu s ILE 226 CO -0.07 0.14 1.17 -0.83 -1.23 0.00 0.00 174.94 174.12 1amu s GLY 227 N 1.66 2.97 -0.61 6.18 0.00 -1.02 -0.52 107.32 115.97 1amu s GLY 227 Ca 0.14 1.01 -0.05 0.00 0.00 0.00 0.00 44.72 45.82 1amu s GLY 227 CO 0.10 1.58 0.45 1.62 0.00 0.00 0.00 173.10 176.85 1amu s GLN 228 N -1.87 2.64 -0.20 2.90 -0.44 0.11 -4.77 119.66 118.04 1amu s GLN 228 Ca 0.50 -2.33 -0.10 0.00 -2.50 0.00 0.00 55.36 50.93 1amu s GLN 228 Cb -0.33 -3.85 -0.20 0.00 -1.64 0.00 0.00 33.01 26.99 1amu s GLN 228 CO 0.43 -1.18 0.07 0.34 0.50 0.00 0.00 175.29 175.45 1amu n PHE 229 N 3.89 0.72 -1.71 1.67 -0.00 -1.26 -2.53 117.46 118.24 1amu n PHE 229 Ca 0.05 0.21 -0.34 0.00 -0.00 0.00 0.00 57.45 57.38 1amu n PHE 229 Cb 0.40 -1.08 0.06 0.00 -0.00 0.00 0.00 39.48 38.85 1amu n PHE 229 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1amu s ALA 230 N -2.49 2.37 0.37 3.13 0.00 -1.26 -4.99 121.76 118.90 1amu s ALA 230 Ca -0.30 0.71 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 1amu s ALA 230 Cb 0.08 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1amu s ALA 230 CO 0.64 -1.43 1.43 0.45 0.00 0.00 0.00 175.76 176.85 1amu s SER 231 N -2.26 6.40 0.46 0.00 0.15 -1.26 -4.69 113.70 112.50 1amu s SER 231 Ca 0.71 2.93 0.32 0.00 0.70 0.00 0.00 55.95 60.60 1amu s SER 231 Cb -0.24 -2.66 1.58 0.00 -1.71 0.00 0.00 66.02 62.99 1amu s SER 231 CO 0.41 -0.82 1.96 -0.29 1.20 0.00 0.00 173.24 175.69 1amu h ILE 232 N 2.89 0.00 -0.02 6.45 6.09 -1.97 -0.73 117.51 130.23 1amu h ILE 232 Ca -0.50 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 1amu h ILE 232 Cb 1.24 0.92 0.00 0.00 0.47 0.00 0.00 36.82 39.45 1amu h ILE 232 CO 0.64 0.00 -0.01 -1.20 -3.07 0.00 0.00 178.15 174.51 1amu n SER 233 N -2.67 1.61 -4.51 2.19 7.64 -1.26 -4.71 113.62 111.91 1amu n SER 233 Ca -0.01 -1.52 -0.33 0.00 1.01 0.00 0.00 58.87 58.02 1amu n SER 233 Cb 0.13 0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.21 1amu n SER 233 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1amu s PHE 234 N -2.02 2.88 -0.72 1.43 5.36 -0.28 -4.60 117.98 120.02 1amu s PHE 234 Ca 0.36 -0.18 0.13 0.00 -0.96 0.00 0.00 56.93 56.28 1amu s PHE 234 Cb 0.21 -1.76 0.60 0.00 -0.34 0.00 0.00 43.02 41.73 1amu s PHE 234 CO 0.34 0.15 1.40 -0.40 -1.46 0.00 0.00 175.22 175.25 1amu n ASP 235 N 2.68 0.25 0.26 6.13 5.75 -1.26 -1.09 116.55 129.26 1amu n ASP 235 Ca -0.18 0.59 0.09 0.00 -0.01 0.00 0.00 54.79 55.28 1amu n ASP 235 Cb 0.53 -0.63 0.67 0.00 -1.03 0.00 0.00 41.12 40.65 1amu n ASP 235 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1amu h ALA 236 N 2.18 1.90 -0.14 2.12 0.00 -1.95 -0.55 119.26 122.82 1amu h ALA 236 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1amu h ALA 236 Cb 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1amu h ALA 236 CO 0.00 0.02 -0.52 0.66 0.00 0.00 0.00 179.25 179.41 1amu h SER 237 N 0.00 0.44 -0.35 0.00 4.64 -1.29 -0.80 113.55 116.19 1amu h SER 237 Ca -0.00 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 1amu h SER 237 Cb 0.03 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1amu h SER 237 CO 0.00 0.88 0.04 0.58 -0.87 0.00 0.00 176.83 177.47 1amu h VAL 238 N 0.32 1.24 -0.30 0.95 2.07 -1.38 -0.76 116.25 118.39 1amu h VAL 238 Ca 0.01 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1amu h VAL 238 Cb 1.02 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 1amu h VAL 238 CO 0.09 0.29 -0.08 -0.25 0.02 0.00 0.00 177.57 177.64 1amu h TRP 239 N 0.43 -0.18 -0.09 1.57 2.91 -0.84 -2.24 115.95 117.51 1amu h TRP 239 Ca 0.11 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 1amu h TRP 239 Cb 0.38 0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.15 1amu h TRP 239 CO 0.03 -0.14 -0.03 0.93 -1.03 0.00 0.00 178.44 178.19 1amu h GLU 240 N -0.01 0.18 -0.33 2.65 5.08 -1.03 -1.71 114.58 119.42 1amu h GLU 240 Ca 0.15 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1amu h GLU 240 Cb 0.23 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 1amu h GLU 240 CO -0.32 0.52 -0.13 1.98 -1.00 0.00 0.00 179.01 180.06 1amu h MET 241 N -0.18 -0.07 0.00 2.33 4.05 -1.02 -2.45 114.93 117.59 1amu h MET 241 Ca 0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1amu h MET 241 Cb 0.46 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1amu h MET 241 CO 0.01 -0.05 -0.47 1.19 0.23 0.00 0.00 176.91 177.82 1amu n PHE 242 N -5.32 0.49 -0.04 1.39 3.72 -0.85 -1.21 117.46 115.64 1amu n PHE 242 Ca 0.01 0.14 -0.02 0.00 -0.05 0.00 0.00 57.45 57.53 1amu n PHE 242 Cb 0.23 -0.63 0.24 0.00 -0.94 0.00 0.00 39.48 38.38 1amu n PHE 242 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1amu h MET 243 N 0.00 0.62 0.00 -1.08 4.05 -0.87 -2.27 114.93 115.38 1amu h MET 243 Ca 0.00 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1amu h MET 243 Cb 0.69 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 1amu h MET 243 CO 0.00 0.66 -0.09 0.00 0.23 0.00 0.00 176.91 177.71 1amu h ALA 244 N 1.39 0.00 0.00 0.39 0.00 -1.33 -3.38 119.26 116.33 1amu h ALA 244 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1amu h ALA 244 Cb 0.41 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1amu h ALA 244 CO 0.02 0.09 0.00 -0.07 0.00 0.00 0.00 179.25 179.28 1amu h LEU 245 N -0.85 0.00 -1.80 0.00 3.38 -1.22 -2.23 115.31 112.59 1amu h LEU 245 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1amu h LEU 245 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1amu h LEU 245 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1amu n LEU 246 N -2.31 2.68 -0.00 1.67 4.77 -0.85 -4.45 117.00 118.50 1amu n LEU 246 Ca 0.02 -1.04 0.01 0.00 -0.03 0.00 0.00 56.01 54.97 1amu n LEU 246 Cb 0.21 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1amu n LEU 246 CO 0.19 0.47 -0.12 0.35 -1.33 0.00 0.00 177.39 176.95 1amu n THR 247 N 1.12 0.00 -0.02 -5.08 -2.24 -0.90 -4.95 114.28 102.20 1amu n THR 247 Ca 0.12 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1amu n THR 247 Cb 0.50 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1amu n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1amu n GLY 248 N 1.34 0.37 3.85 3.38 0.00 -0.97 -3.68 105.19 109.48 1amu n GLY 248 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1amu n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1amu s ALA 249 N -2.06 2.13 0.07 4.61 0.00 -0.89 -4.52 121.76 121.10 1amu s ALA 249 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1amu s ALA 249 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1amu s ALA 249 CO 0.00 -2.22 0.12 -1.54 0.00 0.00 0.00 175.76 172.12 1amu s SER 250 N -4.47 5.80 -0.19 0.00 1.04 -0.99 -4.28 113.70 110.62 1amu s SER 250 Ca 0.67 0.09 -0.03 0.00 0.48 0.00 0.00 55.95 57.16 1amu s SER 250 Cb -0.10 -1.65 -0.01 0.00 0.10 0.00 0.00 66.02 64.36 1amu s SER 250 CO 0.52 0.18 -0.06 -0.22 0.98 0.00 0.00 173.24 174.64 1amu s LEU 251 N -2.37 2.88 -0.36 2.42 2.96 0.30 -0.46 118.68 124.06 1amu s LEU 251 Ca 0.30 -0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 1amu s LEU 251 Cb -0.12 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.87 1amu s LEU 251 CO 0.23 0.04 0.21 -0.31 -1.32 0.00 0.00 176.35 175.20 1amu s TYR 252 N 1.12 3.22 -0.70 5.38 1.51 0.32 -0.57 117.35 127.63 1amu s TYR 252 Ca 0.01 -0.75 -0.27 0.00 -1.01 0.00 0.00 57.07 55.05 1amu s TYR 252 Cb -0.15 -2.44 0.01 0.00 -0.11 0.00 0.00 41.96 39.28 1amu s TYR 252 CO -0.01 -0.57 1.46 0.42 -1.11 0.00 0.00 175.55 175.74 1amu s ILE 253 N 1.60 3.61 -0.20 2.71 -1.09 -0.30 0.09 121.20 127.62 1amu s ILE 253 Ca 0.03 0.35 -0.27 0.00 -2.23 0.00 0.00 60.65 58.53 1amu s ILE 253 Cb -0.18 -4.62 -0.00 0.00 -1.58 0.00 0.00 42.46 36.08 1amu s ILE 253 CO 0.07 -1.56 0.92 -0.63 -1.23 0.00 0.00 174.94 172.51 1amu s ILE 254 N 6.77 4.79 0.56 2.92 1.01 -1.05 -4.61 121.20 131.60 1amu s ILE 254 Ca 0.45 1.80 -0.11 0.00 0.00 0.00 0.00 60.65 62.79 1amu s ILE 254 Cb -0.09 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1amu s ILE 254 CO 0.17 -0.07 0.97 -0.76 0.00 0.00 0.00 174.94 175.24 1amu s LEU 255 N 2.68 3.41 0.24 2.97 1.43 -1.26 -4.84 118.68 123.30 1amu s LEU 255 Ca 0.40 1.36 -0.05 0.00 -1.03 0.00 0.00 54.13 54.82 1amu s LEU 255 Cb -0.16 -4.37 0.41 0.00 0.03 0.00 0.00 46.19 42.10 1amu s LEU 255 CO 0.09 -0.74 1.77 0.07 0.23 0.00 0.00 176.35 177.77 1amu h LYS 256 N 0.12 0.57 0.00 1.70 -0.00 -1.97 -1.16 116.57 115.83 1amu h LYS 256 Ca -0.45 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.65 60.13 1amu h LYS 256 Cb 1.19 -0.13 -0.00 0.00 -0.00 0.00 0.00 32.23 33.29 1amu h LYS 256 CO 0.62 0.38 -0.15 -0.44 -0.00 0.00 0.00 179.45 179.86 1amu h ASP 257 N 0.59 0.00 0.05 7.07 3.32 -1.98 0.15 116.42 125.63 1amu h ASP 257 Ca 0.39 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.17 1amu h ASP 257 Cb 0.48 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.05 1amu h ASP 257 CO -0.31 0.15 -1.08 0.74 -1.72 0.00 0.00 179.24 177.02 1amu h THR 258 N 0.00 1.29 -0.22 0.35 2.02 -1.58 -3.29 112.91 111.48 1amu h THR 258 Ca -0.00 -2.30 -0.14 0.00 0.77 0.00 0.00 66.41 64.74 1amu h THR 258 Cb 0.31 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1amu h THR 258 CO 0.02 0.71 -0.43 0.40 0.37 0.00 0.00 175.52 176.58 1amu h ILE 259 N 0.36 1.31 0.00 3.11 2.04 -0.82 -2.89 117.51 120.62 1amu h ILE 259 Ca -0.14 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1amu h ILE 259 Cb 1.73 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1amu h ILE 259 CO 0.21 0.51 0.00 0.59 0.00 0.00 0.00 178.15 179.46 1amu n ASN 260 N -4.01 0.00 -3.69 1.72 3.02 0.44 -4.41 115.26 108.33 1amu n ASN 260 Ca -0.02 -0.60 -0.28 0.00 -0.03 0.00 0.00 54.58 53.65 1amu n ASN 260 Cb 0.53 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.53 1amu n ASN 260 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1amu s ASP 261 N -2.03 3.25 0.34 6.41 -1.08 -1.13 -5.03 116.67 117.40 1amu s ASP 261 Ca 0.30 -1.08 0.07 0.00 -0.52 0.00 0.00 52.55 51.31 1amu s ASP 261 Cb 0.14 -0.59 0.76 0.00 -1.46 0.00 0.00 42.92 41.77 1amu s ASP 261 CO 0.24 -0.36 1.87 -0.26 0.52 0.00 0.00 175.17 177.18 1amu h PHE 262 N 8.25 0.87 -0.03 -5.34 0.04 -1.80 0.12 116.94 119.05 1amu h PHE 262 Ca -0.16 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.44 1amu h PHE 262 Cb 1.08 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 1amu h PHE 262 CO 0.29 0.34 -0.81 -0.39 -0.60 0.00 0.00 178.31 177.15 1amu h VAL 263 N 0.75 1.42 -0.42 -0.55 -1.51 -1.95 -1.48 116.25 112.52 1amu h VAL 263 Ca 0.45 -2.34 -0.04 0.00 -1.23 0.00 0.00 66.70 63.53 1amu h VAL 263 Cb 0.64 2.28 -0.02 0.00 -2.13 0.00 0.00 31.29 32.06 1amu h VAL 263 CO -0.21 0.69 0.11 0.11 -1.23 0.00 0.00 177.57 177.04 1amu h LYS 264 N 0.20 0.67 -0.36 5.19 1.57 -1.25 -1.30 116.57 121.29 1amu h LYS 264 Ca -0.04 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1amu h LYS 264 Cb 1.40 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1amu h LYS 264 CO 0.13 0.68 0.23 0.35 -0.57 0.00 0.00 179.45 180.28 1amu h PHE 265 N 0.54 0.45 -0.64 -1.35 3.57 -0.66 0.12 116.94 118.98 1amu h PHE 265 Ca 0.13 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1amu h PHE 265 Cb 0.31 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1amu h PHE 265 CO 0.02 0.29 0.40 0.93 -2.23 0.00 0.00 178.31 177.72 1amu h GLU 266 N 0.48 0.76 -0.64 1.11 5.08 -1.14 -1.42 114.58 118.81 1amu h GLU 266 Ca 0.13 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1amu h GLU 266 Cb -0.05 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1amu h GLU 266 CO -0.03 0.50 0.26 1.96 -1.00 0.00 0.00 179.01 180.70 1amu h GLN 267 N 0.78 0.95 -0.02 2.33 4.20 -0.63 -2.59 115.11 120.14 1amu h GLN 267 Ca 0.26 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1amu h GLN 267 Cb 0.02 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1amu h GLN 267 CO -0.10 0.80 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.90 1amu h TYR 268 N 0.89 -0.08 -0.73 2.96 5.03 -0.25 0.32 116.97 125.11 1amu h TYR 268 Ca 0.21 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.60 1amu h TYR 268 Cb 0.20 0.04 -0.06 0.00 1.55 0.00 0.00 36.73 38.46 1amu h TYR 268 CO 0.01 -0.06 0.41 0.82 -1.32 0.00 0.00 178.16 178.03 1amu h ILE 269 N -0.06 0.95 0.02 1.81 1.08 -1.15 0.82 117.51 121.00 1amu h ILE 269 Ca 0.02 -0.25 -0.21 0.00 -0.39 0.00 0.00 64.86 64.03 1amu h ILE 269 Cb 0.08 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 33.96 1amu h ILE 269 CO -0.05 0.14 -0.99 0.78 -0.69 0.00 0.00 178.15 177.34 1amu h ASN 270 N 0.74 0.09 0.17 1.72 4.21 -1.23 -0.82 115.58 120.46 1amu h ASN 270 Ca 0.33 -0.09 -0.28 0.00 1.21 0.00 0.00 56.30 57.47 1amu h ASN 270 Cb 0.24 -0.03 0.02 0.00 -1.12 0.00 0.00 38.32 37.43 1amu h ASN 270 CO -0.20 1.02 -1.16 -0.61 -1.29 0.00 0.00 177.43 175.19 1amu h GLN 271 N 0.02 0.59 -0.00 0.81 -0.00 -0.62 -3.17 115.11 112.74 1amu h GLN 271 Ca -0.03 -0.74 0.00 0.00 -0.00 0.00 0.00 58.65 57.88 1amu h GLN 271 Cb 1.71 0.23 0.00 0.00 0.00 0.00 0.00 27.48 29.43 1amu h GLN 271 CO 0.14 1.32 -0.16 1.63 0.00 0.00 0.00 178.83 181.76 1amu n LYS 272 N -3.78 0.36 -3.59 1.69 4.76 0.26 -4.94 118.16 112.91 1amu n LYS 272 Ca -0.12 -0.12 -0.21 0.00 -2.87 0.00 0.00 58.31 55.00 1amu n LYS 272 Cb 0.95 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.70 1amu n LYS 272 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1amu n GLU 273 N -1.22 -6.27 -1.95 1.97 1.02 -0.71 -4.94 120.64 108.54 1amu n GLU 273 Ca 0.11 0.75 -0.41 0.00 -0.02 0.00 0.00 57.16 57.58 1amu n GLU 273 Cb 0.30 -5.63 -0.02 0.00 -0.02 0.00 0.00 31.44 26.07 1amu n GLU 273 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1amu s ILE 274 N -3.44 2.53 -0.08 -3.67 -1.09 -0.39 -4.67 121.20 110.38 1amu s ILE 274 Ca 0.18 0.43 0.13 0.00 -2.23 0.00 0.00 60.65 59.16 1amu s ILE 274 Cb -0.08 -3.28 -0.19 0.00 -1.58 0.00 0.00 42.46 37.33 1amu s ILE 274 CO 0.76 0.07 0.16 0.35 -1.23 0.00 0.00 174.94 175.05 1amu n THR 275 N 2.47 0.53 -4.08 2.92 -2.24 -0.34 -2.63 114.28 110.90 1amu n THR 275 Ca 0.08 -0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 61.18 1amu n THR 275 Cb 0.39 -0.31 -0.17 0.00 -2.10 0.00 0.00 70.33 68.15 1amu n THR 275 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1amu s VAL 276 N -2.59 0.62 -0.01 2.28 1.01 -1.10 -0.68 120.40 119.93 1amu s VAL 276 Ca -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1amu s VAL 276 Cb 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1amu s VAL 276 CO 0.56 0.26 -0.02 -0.51 0.00 0.00 0.00 175.10 175.39 1amu s ILE 277 N 1.23 0.21 -0.19 2.22 1.10 -0.86 -2.44 121.20 122.47 1amu s ILE 277 Ca -0.06 -0.07 -0.02 0.00 -0.51 0.00 0.00 60.65 59.99 1amu s ILE 277 Cb -0.14 -0.21 -0.01 0.00 0.15 0.00 0.00 42.46 42.25 1amu s ILE 277 CO -0.02 0.08 -0.09 -0.89 -2.11 0.00 0.00 174.94 171.92 1amu s THR 278 N 0.19 3.12 0.04 4.00 2.01 -1.26 -0.89 115.64 122.84 1amu s THR 278 Ca -0.02 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1amu s THR 278 Cb -0.04 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1amu s THR 278 CO -0.00 0.47 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.58 1amu s LEU 279 N 1.16 2.31 0.37 4.42 1.43 0.63 -4.80 118.68 124.20 1amu s LEU 279 Ca 0.02 -0.65 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 1amu s LEU 279 Cb -0.14 0.02 -0.09 0.00 0.03 0.00 0.00 46.19 46.00 1amu s LEU 279 CO -0.03 -0.33 1.13 -2.84 0.23 0.00 0.00 176.35 174.51 1amu s PRO 280 N -2.13 4.22 0.57 1.29 0.02 -1.26 -2.49 135.00 135.23 1amu s PRO 280 Ca -0.08 1.77 0.27 0.00 0.02 0.00 0.00 61.00 62.98 1amu s PRO 280 Cb -0.06 -2.77 1.63 0.00 0.02 0.00 0.00 34.50 33.32 1amu s PRO 280 CO -0.02 -0.15 2.15 -1.35 -0.33 0.00 0.00 177.00 177.30 1amu h PRO 281 N 2.90 0.00 0.00 5.54 0.11 -1.85 0.11 132.00 138.81 1amu h PRO 281 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1amu h PRO 281 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1amu h PRO 281 CO 0.64 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.22 1amu h THR 282 N 0.00 0.00 0.00 -1.15 1.35 -1.91 -1.78 112.91 109.43 1amu h THR 282 Ca 0.06 -0.20 -0.46 0.00 -0.55 0.00 0.00 66.41 65.26 1amu h THR 282 Cb 0.29 0.96 -0.07 0.00 -1.73 0.00 0.00 68.15 67.60 1amu h THR 282 CO -0.00 0.00 -2.52 0.00 -0.25 0.00 0.00 175.52 172.75 1amu n TYR 283 N -2.55 0.03 -0.11 4.73 9.36 0.33 -4.46 117.16 124.48 1amu n TYR 283 Ca 0.00 0.01 0.15 0.00 3.32 0.00 0.00 57.90 61.38 1amu n TYR 283 Cb 0.17 -1.00 0.53 0.00 -0.63 0.00 0.00 39.34 38.41 1amu n TYR 283 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1amu h VAL 284 N -0.93 0.82 -0.03 2.97 2.07 -1.23 -0.62 116.25 119.30 1amu h VAL 284 Ca -0.69 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1amu h VAL 284 Cb 1.63 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1amu h VAL 284 CO -0.40 0.07 0.07 1.62 0.02 0.00 0.00 177.57 178.95 1amu h VAL 285 N 0.36 0.21 -0.01 2.57 3.04 -1.54 -0.25 116.25 120.62 1amu h VAL 285 Ca 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 1amu h VAL 285 Cb 0.76 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1amu h VAL 285 CO -0.09 0.00 -0.39 1.41 -1.01 0.00 0.00 177.57 177.49 1amu n HIS 286 N -3.36 0.00 -3.67 3.17 -0.00 -0.24 -4.93 115.22 106.19 1amu n HIS 286 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.41 1amu n HIS 286 Cb 0.15 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.99 30.02 1amu n HIS 286 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1amu s LEU 287 N -2.57 4.24 -0.32 2.41 1.43 -0.11 -5.01 118.68 118.75 1amu s LEU 287 Ca 0.20 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 1amu s LEU 287 Cb 0.19 -3.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 1amu s LEU 287 CO 0.57 -0.01 0.21 -0.62 0.23 0.00 0.00 176.35 176.74 1amu s ASP 288 N -2.83 5.96 0.50 2.29 -1.08 -1.26 -4.97 116.67 115.27 1amu s ASP 288 Ca 0.40 -0.33 0.24 0.00 -0.52 0.00 0.00 52.55 52.33 1amu s ASP 288 Cb -0.12 -2.11 1.30 0.00 -1.46 0.00 0.00 42.92 40.53 1amu s ASP 288 CO 0.27 -0.18 2.03 1.55 0.52 0.00 0.00 175.17 179.37 1amu h PRO 289 N 8.44 0.00 0.00 4.34 0.13 -1.92 -1.90 132.00 141.09 1amu h PRO 289 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1amu h PRO 289 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1amu h PRO 289 CO 0.61 0.15 0.00 0.39 -0.23 0.00 0.00 178.00 178.92 1amu n GLU 290 N -3.81 0.18 -0.01 0.86 4.71 -1.26 -2.86 120.64 118.45 1amu n GLU 290 Ca -0.02 0.25 -0.06 0.00 -0.01 0.00 0.00 57.16 57.32 1amu n GLU 290 Cb 0.25 -1.76 -0.13 0.00 -1.01 0.00 0.00 31.44 28.80 1amu n GLU 290 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1amu n ARG 291 N -2.09 0.63 -2.72 3.49 1.74 -0.74 -4.87 116.66 112.11 1amu n ARG 291 Ca 0.05 0.23 -0.42 0.00 -0.77 0.00 0.00 57.85 56.94 1amu n ARG 291 Cb 0.34 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 1amu n ARG 291 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1amu s ILE 292 N -2.70 4.87 0.00 0.55 -1.09 -1.09 -4.94 121.20 116.80 1amu s ILE 292 Ca -0.05 2.03 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 1amu s ILE 292 Cb 0.08 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1amu s ILE 292 CO 0.82 0.15 0.00 0.18 -1.23 0.00 0.00 174.94 174.86 1amu n LEU 293 N 4.02 0.00 -0.01 2.97 4.77 -1.26 -4.84 117.00 122.65 1amu n LEU 293 Ca 0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.97 1amu n LEU 293 Cb 0.51 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 1amu n LEU 293 CO 0.52 0.00 -0.47 -1.54 -1.33 0.00 0.00 177.39 174.57 1amu n SER 294 N -1.50 0.88 -4.67 -1.43 3.41 -1.26 -4.93 113.62 104.12 1amu n SER 294 Ca 0.00 0.41 -0.50 0.00 -0.26 0.00 0.00 58.87 58.53 1amu n SER 294 Cb 0.29 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1amu n SER 294 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1amu n ILE 295 N -3.02 0.33 -0.12 -1.33 2.08 -1.08 -4.47 119.36 111.74 1amu n ILE 295 Ca -0.15 -0.06 -0.17 0.00 0.56 0.00 0.00 62.75 62.93 1amu n ILE 295 Cb 1.01 -1.56 -0.12 0.00 -0.75 0.00 0.00 39.64 38.23 1amu n ILE 295 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1amu n GLN 296 N 5.17 0.63 -4.07 0.38 6.02 0.15 -4.75 117.38 120.90 1amu n GLN 296 Ca 0.21 0.14 -0.28 0.00 -0.01 0.00 0.00 57.00 57.06 1amu n GLN 296 Cb 0.25 -1.50 -0.17 0.00 1.02 0.00 0.00 30.24 29.85 1amu n GLN 296 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1amu s THR 297 N -2.50 1.31 -0.21 5.09 2.01 -0.66 -1.03 115.64 119.65 1amu s THR 297 Ca -0.33 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 1amu s THR 297 Cb 0.08 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1amu s THR 297 CO 0.58 0.41 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.68 1amu s LEU 298 N 1.46 3.05 -0.16 4.42 2.96 -0.37 -2.03 118.68 128.00 1amu s LEU 298 Ca 0.02 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1amu s LEU 298 Cb -0.13 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 1amu s LEU 298 CO -0.08 0.01 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.24 1amu s ILE 299 N 1.28 3.17 0.06 6.68 1.01 -0.07 -1.08 121.20 132.25 1amu s ILE 299 Ca 0.04 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1amu s ILE 299 Cb -0.14 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1amu s ILE 299 CO -0.00 0.49 -0.03 0.42 0.00 0.00 0.00 174.94 175.82 1amu s THR 300 N 0.71 3.87 0.25 2.92 -4.23 -0.31 -0.27 115.64 118.58 1amu s THR 300 Ca -0.05 -0.93 -0.22 0.00 -1.18 0.00 0.00 61.69 59.31 1amu s THR 300 Cb -0.15 -2.79 0.04 0.00 1.34 0.00 0.00 72.50 70.94 1amu s THR 300 CO 0.02 0.21 0.82 0.00 -0.54 0.00 0.00 174.62 175.13 1amu s ALA 301 N -1.20 -1.33 0.00 3.99 0.00 -1.04 -1.40 121.76 120.78 1amu s ALA 301 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1amu s ALA 301 Cb -0.11 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1amu s ALA 301 CO 0.14 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.28 1amu n GLY 302 N -0.48 3.02 3.59 0.00 0.00 -1.26 -4.21 105.19 105.85 1amu n GLY 302 Ca -0.05 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 1amu n GLY 302 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1amu s SER 303 N 0.00 0.23 0.27 1.61 1.04 -1.26 -5.00 113.70 110.60 1amu s SER 303 Ca 0.00 -1.13 -0.30 0.00 0.48 0.00 0.00 55.95 55.01 1amu s SER 303 Cb 0.00 0.65 -0.10 0.00 0.10 0.00 0.00 66.02 66.67 1amu s SER 303 CO 0.00 -1.27 1.42 0.00 0.98 0.00 0.00 173.24 174.37 1amu s ALA 304 N -3.48 3.60 0.64 5.32 0.00 -1.26 -4.71 121.76 121.87 1amu s ALA 304 Ca 0.24 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.59 1amu s ALA 304 Cb -0.01 -3.54 0.11 0.00 0.00 0.00 0.00 23.12 19.67 1amu s ALA 304 CO 0.13 -0.74 0.89 -0.08 0.00 0.00 0.00 175.76 175.95 1amu s THR 305 N -0.31 2.05 0.11 0.00 -1.32 -1.26 -4.82 115.64 110.08 1amu s THR 305 Ca 0.57 -0.87 0.03 0.00 -1.21 0.00 0.00 61.69 60.21 1amu s THR 305 Cb -0.42 -2.18 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 1amu s THR 305 CO 0.47 0.00 -0.08 -0.94 -2.21 0.00 0.00 174.62 171.85 1amu s SER 306 N -4.73 1.36 0.30 8.08 1.04 -1.26 -4.65 113.70 113.84 1amu s SER 306 Ca 0.64 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 56.11 1amu s SER 306 Cb -0.05 0.05 0.55 0.00 0.10 0.00 0.00 66.02 66.67 1amu s SER 306 CO 0.41 -0.40 1.89 -0.65 0.98 0.00 0.00 173.24 175.48 1amu h PRO 307 N 3.02 0.98 -0.34 4.02 0.11 -1.88 -0.81 132.00 137.10 1amu h PRO 307 Ca -0.36 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1amu h PRO 307 Cb 1.18 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1amu h PRO 307 CO 0.62 0.65 0.12 0.66 -0.21 0.00 0.00 178.00 179.84 1amu h SER 308 N 1.01 0.49 -0.05 -2.05 4.64 -1.96 -0.62 113.55 115.00 1amu h SER 308 Ca 0.42 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1amu h SER 308 Cb 0.31 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1amu h SER 308 CO -0.18 0.55 0.02 0.25 -0.87 0.00 0.00 176.83 176.60 1amu h LEU 309 N 0.40 0.08 -0.66 5.97 5.85 -1.83 -2.22 115.31 122.90 1amu h LEU 309 Ca 0.11 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1amu h LEU 309 Cb 0.23 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1amu h LEU 309 CO -0.01 0.27 0.36 0.58 -0.34 0.00 0.00 178.44 179.30 1amu h VAL 310 N -0.12 1.21 -0.55 1.05 2.07 -1.15 -2.07 116.25 116.69 1amu h VAL 310 Ca 0.02 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1amu h VAL 310 Cb 0.22 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1amu h VAL 310 CO -0.00 0.23 0.37 0.78 0.02 0.00 0.00 177.57 178.96 1amu h ASN 311 N 0.90 0.62 1.05 0.57 2.35 -1.05 0.18 115.58 120.21 1amu h ASN 311 Ca 0.23 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1amu h ASN 311 Cb 0.04 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1amu h ASN 311 CO -0.04 0.45 -0.01 0.50 -1.65 0.00 0.00 177.43 176.68 1amu h LYS 312 N 0.73 0.00 0.00 0.81 3.64 -0.73 -3.34 116.57 117.68 1amu h LYS 312 Ca 0.21 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1amu h LYS 312 Cb -0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1amu h LYS 312 CO -0.05 0.01 -1.29 0.91 -2.27 0.00 0.00 179.45 176.77 1amu n TRP 313 N -3.10 0.00 0.29 1.91 7.02 -0.62 -4.77 117.44 118.17 1amu n TRP 313 Ca 0.01 0.00 0.18 0.00 -1.02 0.00 0.00 57.50 56.66 1amu n TRP 313 Cb 0.32 -0.19 0.98 0.00 -2.42 0.00 0.00 31.31 30.00 1amu n TRP 313 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1amu h LYS 314 N 0.00 0.00 0.00 -0.99 2.10 -0.80 -1.22 116.57 115.66 1amu h LYS 314 Ca -0.08 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.55 1amu h LYS 314 Cb 0.89 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1amu h LYS 314 CO 0.00 0.00 -0.89 0.93 -2.00 0.00 0.00 179.45 177.49 1amu h GLU 315 N 0.00 0.00 0.01 0.07 4.39 -1.84 -3.38 114.58 113.83 1amu h GLU 315 Ca 0.02 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 1amu h GLU 315 Cb 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1amu h GLU 315 CO -0.00 0.05 -0.90 0.87 -1.16 0.00 0.00 179.01 177.87 1amu h LYS 316 N 0.00 0.03 -5.29 2.33 6.56 -1.57 -3.49 116.57 115.13 1amu h LYS 316 Ca -0.02 -0.04 -0.51 0.00 -1.06 0.00 0.00 60.65 59.02 1amu h LYS 316 Cb 1.08 0.02 -0.14 0.00 -0.57 0.00 0.00 32.23 32.62 1amu h LYS 316 CO 0.01 1.02 -0.60 0.14 -2.06 0.00 0.00 179.45 177.96 1amu s VAL 317 N -2.33 1.31 -0.36 0.50 -7.23 -0.76 -4.97 120.40 106.56 1amu s VAL 317 Ca -0.25 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.64 1amu s VAL 317 Cb 0.03 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.18 1amu s VAL 317 CO 0.64 0.00 1.02 -0.89 -0.31 0.00 0.00 175.10 175.56 1amu s THR 318 N -3.19 4.51 -0.20 5.32 2.01 -0.20 -4.40 115.64 119.49 1amu s THR 318 Ca 0.35 1.45 -0.13 0.00 0.31 0.00 0.00 61.69 63.67 1amu s THR 318 Cb 0.09 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 1amu s THR 318 CO 0.16 -0.57 0.28 -0.47 -0.69 0.00 0.00 174.62 173.33 1amu s TYR 319 N 3.67 3.38 -0.10 4.92 6.14 -1.26 -1.24 117.35 132.86 1amu s TYR 319 Ca 0.43 0.47 0.02 0.00 0.64 0.00 0.00 57.07 58.63 1amu s TYR 319 Cb -0.11 -2.37 0.01 0.00 0.42 0.00 0.00 41.96 39.91 1amu s TYR 319 CO 0.19 0.11 -0.15 0.42 0.64 0.00 0.00 175.55 176.76 1amu s ILE 320 N 0.92 1.44 -0.29 3.14 1.01 -0.24 -0.96 121.20 126.21 1amu s ILE 320 Ca 0.14 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 1amu s ILE 320 Cb -0.14 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1amu s ILE 320 CO 0.05 0.43 0.35 0.21 0.00 0.00 0.00 174.94 175.98 1amu s ASN 321 N 0.97 6.21 -0.14 3.58 2.47 0.24 -1.16 114.94 127.10 1amu s ASN 321 Ca -0.07 0.11 -0.00 0.00 0.42 0.00 0.00 52.86 53.31 1amu s ASN 321 Cb -0.15 -2.20 -0.01 0.00 -1.45 0.00 0.00 41.25 37.44 1amu s ASN 321 CO -0.01 -0.22 -0.12 0.00 -3.72 0.00 0.00 177.10 173.03 1amu s ALA 322 N 2.03 2.63 0.03 1.71 0.00 -0.49 -0.86 121.76 126.82 1amu s ALA 322 Ca 0.13 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.26 1amu s ALA 322 Cb -0.16 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1amu s ALA 322 CO 0.11 0.18 -0.24 -0.47 0.00 0.00 0.00 175.76 175.33 1amu s TYR 323 N 0.46 2.38 0.00 0.00 6.14 -0.29 -4.27 117.35 121.77 1amu s TYR 323 Ca -0.09 -0.38 0.00 0.00 0.64 0.00 0.00 57.07 57.24 1amu s TYR 323 Cb -0.16 -1.43 0.00 0.00 0.42 0.00 0.00 41.96 40.79 1amu s TYR 323 CO 0.04 0.12 0.00 0.41 0.64 0.00 0.00 175.55 176.77 1amu n GLY 324 N 1.87 2.40 3.93 8.97 0.00 -1.24 -0.23 105.19 120.88 1amu n GLY 324 Ca -0.17 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1amu n GLY 324 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1amu s PRO 325 N -1.67 3.07 0.43 1.61 0.04 -1.25 -4.73 135.00 132.49 1amu s PRO 325 Ca 0.00 -0.14 0.10 0.00 0.04 0.00 0.00 61.00 61.00 1amu s PRO 325 Cb 0.00 -2.39 0.95 0.00 0.04 0.00 0.00 34.50 33.11 1amu s PRO 325 CO 0.00 -0.48 2.04 1.15 0.04 0.00 0.00 177.00 179.76 1amu h THR 326 N 0.08 1.03 0.00 1.26 2.02 -1.97 -2.89 112.91 112.44 1amu h THR 326 Ca -0.46 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1amu h THR 326 Cb 1.25 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1amu h THR 326 CO 0.60 0.08 0.00 -0.62 0.37 0.00 0.00 175.52 175.95 1amu n GLU 327 N -4.48 0.07 -1.92 6.66 4.71 -1.26 -2.43 120.64 121.99 1amu n GLU 327 Ca 0.05 0.40 -0.12 0.00 -0.01 0.00 0.00 57.16 57.47 1amu n GLU 327 Cb 0.16 -1.65 0.06 0.00 -1.01 0.00 0.00 31.44 28.99 1amu n GLU 327 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1amu n THR 328 N -1.79 2.06 -3.23 2.62 -2.24 -1.10 -0.63 114.28 109.97 1amu n THR 328 Ca 0.02 -3.59 -0.08 0.00 -2.27 0.00 0.00 64.05 58.12 1amu n THR 328 Cb 0.13 -0.35 0.02 0.00 -2.10 0.00 0.00 70.33 68.03 1amu n THR 328 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1amu n THR 329 N -0.68 -8.92 0.00 4.28 -1.04 -0.82 -4.23 114.28 102.87 1amu n THR 329 Ca 0.30 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1amu n THR 329 Cb 0.90 -6.23 0.00 0.00 -1.82 0.00 0.00 70.33 63.18 1amu n THR 329 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1amu n ILE 330 N -2.37 0.00 -4.33 12.58 5.41 -1.18 -4.80 119.36 124.68 1amu n ILE 330 Ca -0.06 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.45 1amu n ILE 330 Cb 0.55 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.32 1amu n ILE 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1amu n ALA 332 N 4.18 1.76 -2.12 0.00 0.00 0.68 -4.90 120.51 120.10 1amu n ALA 332 Ca -0.20 -0.62 -0.07 0.00 0.00 0.00 0.00 53.44 52.54 1amu n ALA 332 Cb 0.51 0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 1amu n ALA 332 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1amu s THR 333 N -2.24 0.22 0.03 0.00 -4.23 -0.73 -1.29 115.64 107.40 1amu s THR 333 Ca -0.06 -1.78 -0.10 0.00 -1.18 0.00 0.00 61.69 58.57 1amu s THR 333 Cb 0.03 -1.50 0.01 0.00 1.34 0.00 0.00 72.50 72.38 1amu s THR 333 CO 0.38 -0.98 0.21 0.42 -0.54 0.00 0.00 174.62 174.11 1amu s THR 334 N -3.89 0.10 -0.01 3.99 -4.23 -0.93 -1.14 115.64 109.53 1amu s THR 334 Ca 0.07 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 1amu s THR 334 Cb 0.08 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 73.10 1amu s THR 334 CO -0.10 -0.44 -0.02 0.86 -0.54 0.00 0.00 174.62 174.37 1amu s TRP 335 N -2.30 0.36 -0.13 3.99 -0.00 -0.04 -2.00 118.94 118.82 1amu s TRP 335 Ca -0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 56.10 55.96 1amu s TRP 335 Cb -0.02 -0.31 -0.02 0.00 -0.00 0.00 0.00 33.47 33.11 1amu s TRP 335 CO -0.02 -0.06 -0.08 0.08 -0.00 0.00 0.00 176.95 176.86 1amu s VAL 336 N 0.36 3.50 0.19 5.86 1.01 -1.26 -0.59 120.40 129.47 1amu s VAL 336 Ca -0.04 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1amu s VAL 336 Cb -0.07 -2.49 -0.10 0.00 0.00 0.00 0.00 36.38 33.72 1amu s VAL 336 CO -0.01 0.52 1.51 0.00 0.00 0.00 0.00 175.10 177.13 1amu s ALA 337 N 0.23 3.71 0.44 5.51 0.00 -0.14 -5.02 121.76 126.50 1amu s ALA 337 Ca -0.05 1.35 0.08 0.00 0.00 0.00 0.00 51.96 53.33 1amu s ALA 337 Cb -0.15 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1amu s ALA 337 CO 0.04 -0.76 0.41 0.95 0.00 0.00 0.00 175.76 176.40 1amu s THR 338 N 0.73 2.52 0.63 0.00 -4.23 -1.26 -4.73 115.64 109.31 1amu s THR 338 Ca 0.66 -1.33 0.35 0.00 -1.18 0.00 0.00 61.69 60.19 1amu s THR 338 Cb -0.43 -2.85 0.38 0.00 1.34 0.00 0.00 72.50 70.94 1amu s THR 338 CO 0.36 0.00 2.17 0.07 -0.54 0.00 0.00 174.62 176.67 1amu h LYS 339 N 0.93 0.00 -7.84 3.99 2.10 -1.95 -3.44 116.57 110.35 1amu h LYS 339 Ca -0.40 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 57.81 1amu h LYS 339 Cb 1.27 0.00 0.18 0.00 -0.90 0.00 0.00 32.23 32.78 1amu h LYS 339 CO 0.56 0.00 0.41 -1.21 -2.00 0.00 0.00 179.45 177.21 1amu s GLU 340 N -4.35 0.31 -0.04 0.07 2.02 -1.26 -4.99 118.70 110.46 1amu s GLU 340 Ca -0.05 -0.49 -0.31 0.00 0.02 0.00 0.00 54.97 54.15 1amu s GLU 340 Cb 0.13 -1.81 -0.09 0.00 0.10 0.00 0.00 34.13 32.45 1amu s GLU 340 CO 0.44 -2.63 2.00 0.25 0.02 0.00 0.00 175.26 175.34 1amu n THR 341 N -3.90 0.66 -3.11 3.63 -2.24 -1.26 -5.01 114.28 103.06 1amu n THR 341 Ca 0.16 -0.18 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 1amu n THR 341 Cb 0.59 -2.23 -0.05 0.00 -2.10 0.00 0.00 70.33 66.54 1amu n THR 341 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1amu s ILE 342 N 4.98 4.93 0.00 2.28 1.01 -1.26 -5.05 121.20 128.09 1amu s ILE 342 Ca 0.92 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.96 1amu s ILE 342 Cb -0.49 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 37.97 1amu s ILE 342 CO 0.44 0.34 0.00 0.61 0.00 0.00 0.00 174.94 176.33 1amu n GLY 343 N 2.70 1.19 0.13 6.18 0.00 -1.26 -4.96 105.19 109.17 1amu n GLY 343 Ca -0.04 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.82 1amu n GLY 343 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1amu h HIS 344 N 0.00 0.00 -4.02 1.61 2.07 -2.03 -3.46 115.15 109.32 1amu h HIS 344 Ca 0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.33 1amu h HIS 344 Cb 0.00 0.00 -0.19 0.00 2.57 0.00 0.00 27.41 29.79 1amu h HIS 344 CO 0.00 0.00 -0.70 0.45 -3.07 0.00 0.00 177.93 174.61 1amu s SER 345 N -5.18 0.54 -0.32 3.10 0.15 -1.26 -4.82 113.70 105.90 1amu s SER 345 Ca 0.05 -0.68 -0.20 0.00 0.70 0.00 0.00 55.95 55.82 1amu s SER 345 Cb 0.10 0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 1amu s SER 345 CO 0.70 -0.36 0.61 -0.69 1.20 0.00 0.00 173.24 174.70 1amu s VAL 346 N -2.23 4.94 0.78 4.45 1.01 -1.26 -4.91 120.40 123.17 1amu s VAL 346 Ca -0.06 0.73 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 1amu s VAL 346 Cb -0.04 -4.01 0.07 0.00 0.00 0.00 0.00 36.38 32.39 1amu s VAL 346 CO -0.03 -0.19 1.20 -2.84 0.00 0.00 0.00 175.10 173.24 1amu s PRO 347 N 2.60 1.84 0.00 2.72 0.02 -1.26 -4.73 135.00 136.18 1amu s PRO 347 Ca 0.24 1.74 0.28 0.00 0.02 0.00 0.00 61.00 63.28 1amu s PRO 347 Cb -0.15 -1.80 1.00 0.00 0.02 0.00 0.00 34.50 33.57 1amu s PRO 347 CO 0.13 -2.06 1.72 0.44 -0.33 0.00 0.00 177.00 176.89 1amu n ILE 348 N -3.09 0.00 -2.14 2.83 -5.35 -0.14 -4.70 119.36 106.78 1amu n ILE 348 Ca 0.13 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1amu n ILE 348 Cb 0.50 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1amu n ILE 348 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1amu n GLY 349 N 1.29 -0.01 3.53 3.28 0.00 -1.16 -2.71 105.19 109.42 1amu n GLY 349 Ca 0.14 -1.40 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 1amu n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1amu s ALA 350 N -1.60 2.83 0.32 4.61 0.00 -0.85 -0.53 121.76 126.55 1amu s ALA 350 Ca 0.00 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.17 1amu s ALA 350 Cb 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 23.12 22.36 1amu s ALA 350 CO 0.00 0.47 1.45 -0.35 0.00 0.00 0.00 175.76 177.33 1amu n PRO 351 N 0.15 2.42 -1.40 0.00 -0.04 -1.26 -2.18 135.00 132.69 1amu n PRO 351 Ca -0.11 0.85 -0.30 0.00 -0.04 0.00 0.00 63.50 63.90 1amu n PRO 351 Cb 0.55 -2.55 0.21 0.00 -0.04 0.00 0.00 33.50 31.68 1amu n PRO 351 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1amu s ILE 352 N -0.58 1.76 0.33 0.52 -4.36 -0.41 -4.89 121.20 113.58 1amu s ILE 352 Ca 0.60 0.00 -0.28 0.00 -0.26 0.00 0.00 60.65 60.70 1amu s ILE 352 Cb -0.54 -2.68 -0.12 0.00 1.25 0.00 0.00 42.46 40.37 1amu s ILE 352 CO 0.56 0.00 1.30 0.00 0.24 0.00 0.00 174.94 177.04 1amu n GLN 353 N -4.36 2.11 -2.05 0.37 10.64 -1.26 -2.35 117.38 120.49 1amu n GLN 353 Ca 0.13 0.74 -0.19 0.00 -1.83 0.00 0.00 57.00 55.86 1amu n GLN 353 Cb 0.59 -2.33 -0.04 0.00 -0.86 0.00 0.00 30.24 27.61 1amu n GLN 353 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1amu n ASN 354 N 0.94 -5.36 -4.19 2.61 3.02 0.02 -4.93 115.26 107.37 1amu n ASN 354 Ca 0.06 0.17 -0.24 0.00 -0.03 0.00 0.00 54.58 54.53 1amu n ASN 354 Cb 0.35 -4.46 -0.14 0.00 -0.61 0.00 0.00 39.78 34.93 1amu n ASN 354 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1amu s THR 355 N -2.85 1.42 0.00 3.41 2.01 -0.99 -1.58 115.64 117.06 1amu s THR 355 Ca 0.00 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.06 1amu s THR 355 Cb 0.00 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 1amu s THR 355 CO 0.00 0.22 -0.16 -1.10 -0.69 0.00 0.00 174.62 172.89 1amu s GLN 356 N -0.90 1.22 -0.05 4.92 1.11 -0.24 -4.67 119.66 121.04 1amu s GLN 356 Ca 0.06 -0.61 0.06 0.00 0.01 0.00 0.00 55.36 54.87 1amu s GLN 356 Cb -0.08 -1.20 -0.01 0.00 -1.01 0.00 0.00 33.01 30.71 1amu s GLN 356 CO 0.01 0.32 -0.24 0.42 0.01 0.00 0.00 175.29 175.81 1amu s ILE 357 N -0.47 2.17 -0.07 1.08 -1.09 -1.26 -0.33 121.20 121.23 1amu s ILE 357 Ca 0.05 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 1amu s ILE 357 Cb -0.06 -1.79 0.02 0.00 -1.58 0.00 0.00 42.46 39.05 1amu s ILE 357 CO -0.00 0.57 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.90 1amu s TYR 358 N -0.27 1.15 -0.39 3.97 2.02 0.01 -4.92 117.35 118.92 1amu s TYR 358 Ca -0.00 -0.44 -0.13 0.00 -0.37 0.00 0.00 57.07 56.12 1amu s TYR 358 Cb -0.13 -0.95 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 1amu s TYR 358 CO 0.03 -0.31 0.26 0.42 -1.57 0.00 0.00 175.55 174.37 1amu s ILE 359 N 1.15 5.04 0.29 2.71 1.01 -1.26 0.03 121.20 130.16 1amu s ILE 359 Ca -0.06 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 59.98 1amu s ILE 359 Cb -0.14 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 1amu s ILE 359 CO -0.01 -0.23 0.00 0.68 0.00 0.00 0.00 174.94 175.38 1amu s VAL 360 N 1.65 1.32 0.10 2.92 -7.23 -0.46 -1.14 120.40 117.56 1amu s VAL 360 Ca 0.04 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1amu s VAL 360 Cb -0.19 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.19 1amu s VAL 360 CO 0.09 -0.17 0.14 -0.90 -0.31 0.00 0.00 175.10 173.94 1amu n ASP 361 N -0.60 0.12 0.33 4.85 5.68 -0.10 -0.54 116.55 126.30 1amu n ASP 361 Ca -0.04 -1.12 0.21 0.00 -0.50 0.00 0.00 54.79 53.35 1amu n ASP 361 Cb 0.65 -0.09 1.16 0.00 -1.14 0.00 0.00 41.12 41.69 1amu n ASP 361 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1amu h GLU 362 N 0.00 0.00 -0.42 0.11 3.07 -2.00 -1.39 114.58 113.95 1amu h GLU 362 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1amu h GLU 362 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1amu h GLU 362 CO 0.04 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.74 1amu n ASN 363 N -3.21 4.11 -0.79 1.42 4.13 -1.26 -4.95 115.26 114.71 1amu n ASN 363 Ca -0.03 -2.62 -0.10 0.00 1.68 0.00 0.00 54.58 53.52 1amu n ASN 363 Cb 0.08 -0.50 -0.04 0.00 -1.54 0.00 0.00 39.78 37.79 1amu n ASN 363 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1amu n LEU 364 N 0.30 -0.78 -4.78 3.41 4.77 -0.52 -5.02 117.00 114.37 1amu n LEU 364 Ca 0.21 0.23 -0.39 0.00 -0.03 0.00 0.00 56.01 56.03 1amu n LEU 364 Cb 0.82 -1.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 1amu n LEU 364 CO 0.18 -0.49 0.40 -1.10 -1.33 0.00 0.00 177.39 175.04 1amu s GLN 365 N -2.97 4.42 0.24 3.23 -1.52 -1.26 -4.79 119.66 117.01 1amu s GLN 365 Ca 0.00 0.98 -0.30 0.00 -1.95 0.00 0.00 55.36 54.08 1amu s GLN 365 Cb 0.00 -3.28 -0.11 0.00 -0.22 0.00 0.00 33.01 29.41 1amu s GLN 365 CO 0.00 0.53 1.53 -0.51 -0.25 0.00 0.00 175.29 176.59 1amu s LEU 366 N -0.89 4.37 0.53 2.90 1.43 -1.26 -0.92 118.68 124.84 1amu s LEU 366 Ca 0.34 2.75 -0.17 0.00 -1.03 0.00 0.00 54.13 56.02 1amu s LEU 366 Cb -0.21 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 1amu s LEU 366 CO 0.23 -0.80 1.00 -0.54 0.23 0.00 0.00 176.35 176.47 1amu s LYS 367 N -0.02 3.82 0.69 1.70 -0.14 -0.29 -4.85 119.74 120.65 1amu s LYS 367 Ca 0.63 1.02 -0.15 0.00 -1.36 0.00 0.00 55.97 56.11 1amu s LYS 367 Cb -0.44 -2.11 0.02 0.00 -1.68 0.00 0.00 37.83 33.61 1amu s LYS 367 CO 0.42 -0.38 1.15 -1.12 -0.76 0.00 0.00 175.35 174.65 1amu s SER 368 N -2.98 4.73 0.21 2.83 0.01 -1.26 -4.90 113.70 112.34 1amu s SER 368 Ca 0.60 2.14 -0.32 0.00 1.31 0.00 0.00 55.95 59.67 1amu s SER 368 Cb -0.11 -2.57 -0.13 0.00 0.21 0.00 0.00 66.02 63.42 1amu s SER 368 CO 0.32 -1.89 1.58 0.52 0.41 0.00 0.00 173.24 174.18 1amu n VAL 369 N -2.55 0.35 0.00 3.43 0.31 -1.26 -1.14 118.33 117.47 1amu n VAL 369 Ca 0.12 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1amu n VAL 369 Cb 0.51 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1amu n VAL 369 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1amu n GLY 370 N 3.10 3.27 3.79 2.92 0.00 -0.73 -4.99 105.19 112.56 1amu n GLY 370 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1amu n GLY 370 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1amu s GLU 371 N -0.74 4.51 0.21 1.61 2.02 -0.29 -4.84 118.70 121.18 1amu s GLU 371 Ca 0.00 1.22 -0.27 0.00 0.02 0.00 0.00 54.97 55.95 1amu s GLU 371 Cb 0.00 -2.82 -0.09 0.00 0.10 0.00 0.00 34.13 31.32 1amu s GLU 371 CO 0.00 0.31 0.84 0.00 0.02 0.00 0.00 175.26 176.43 1amu s ALA 372 N -1.59 3.39 0.32 5.21 0.00 -1.26 -4.36 121.76 123.46 1amu s ALA 372 Ca 0.48 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1amu s ALA 372 Cb -0.18 -3.05 0.04 0.00 0.00 0.00 0.00 23.12 19.93 1amu s ALA 372 CO 0.23 0.26 0.62 0.41 0.00 0.00 0.00 175.76 177.28 1amu n GLY 373 N 1.39 1.27 3.72 0.00 0.00 -0.26 -4.95 105.19 106.36 1amu n GLY 373 Ca -0.03 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1amu n GLY 373 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1amu s GLU 374 N -2.13 4.56 -0.21 1.61 2.12 0.30 -1.18 118.70 123.77 1amu s GLU 374 Ca 0.14 1.25 -0.29 0.00 0.36 0.00 0.00 54.97 56.43 1amu s GLU 374 Cb -0.04 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 1amu s GLU 374 CO 0.10 0.12 1.22 -1.17 -0.54 0.00 0.00 175.26 175.00 1amu s LEU 375 N 0.44 4.10 0.01 2.70 0.20 -0.20 -1.36 118.68 124.58 1amu s LEU 375 Ca 0.45 1.52 0.07 0.00 0.69 0.00 0.00 54.13 56.86 1amu s LEU 375 Cb -0.21 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 41.98 1amu s LEU 375 CO 0.26 -0.81 -0.19 0.00 -0.29 0.00 0.00 176.35 175.32 1amu s ILE 377 N -0.81 2.41 0.30 0.00 1.01 0.29 -0.81 121.20 123.58 1amu s ILE 377 Ca 0.13 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1amu s ILE 377 Cb -0.10 -1.91 -0.06 0.00 0.01 0.00 0.00 42.46 40.40 1amu s ILE 377 CO 0.03 0.57 -0.00 -0.83 0.00 0.00 0.00 174.94 174.70 1amu s GLY 378 N -0.27 1.91 0.00 6.18 0.00 0.55 -0.39 107.32 115.31 1amu s GLY 378 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 42.76 1amu s GLY 378 CO 0.03 -1.82 0.00 0.61 0.00 0.00 0.00 173.10 171.92 1amu n GLY 379 N -0.62 0.52 0.04 0.20 0.00 -1.26 -1.08 105.19 102.99 1amu n GLY 379 Ca -0.04 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.91 1amu n GLY 379 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1amu n GLU 380 N 0.00 0.08 0.00 1.61 -0.58 -0.62 -3.18 120.64 117.96 1amu n GLU 380 Ca 0.00 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 57.03 1amu n GLU 380 Cb 0.00 -1.62 0.28 0.00 -0.57 0.00 0.00 31.44 29.54 1amu n GLU 380 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1amu n GLY 381 N 0.85 -0.97 3.72 0.62 0.00 -1.26 -3.60 105.19 104.55 1amu n GLY 381 Ca 0.05 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1amu n GLY 381 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1amu n LEU 382 N -1.14 3.90 -4.75 0.99 4.32 -1.19 -1.94 117.00 117.19 1amu n LEU 382 Ca 0.08 1.14 -0.31 0.00 -0.02 0.00 0.00 56.01 56.90 1amu n LEU 382 Cb 0.34 -1.53 0.11 0.00 -1.62 0.00 0.00 43.42 40.72 1amu n LEU 382 CO 0.32 -0.08 0.69 0.00 -1.22 0.00 0.00 177.39 177.10 1amu s ALA 383 N 0.01 2.07 0.26 -1.18 0.00 0.19 -4.81 121.76 118.30 1amu s ALA 383 Ca 0.66 0.28 0.17 0.00 0.00 0.00 0.00 51.96 53.07 1amu s ALA 383 Cb -0.55 -3.29 0.73 0.00 0.00 0.00 0.00 23.12 20.01 1amu s ALA 383 CO 0.48 -1.97 1.77 -0.09 0.00 0.00 0.00 175.76 175.96 1amu h ARG 384 N -1.28 0.00 0.00 0.00 2.43 -1.34 -3.49 114.38 110.70 1amu h ARG 384 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1amu h ARG 384 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1amu h ARG 384 CO 0.50 0.38 0.00 0.41 -1.51 0.00 0.00 179.97 179.75 1amu n GLY 385 N -0.03 0.57 3.77 2.80 0.00 -1.25 -5.02 105.19 106.03 1amu n GLY 385 Ca -0.01 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 1amu n GLY 385 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1amu s TYR 386 N -2.95 3.45 -0.11 1.61 2.02 -1.26 -0.99 117.35 119.13 1amu s TYR 386 Ca 0.00 0.37 -0.35 0.00 -0.37 0.00 0.00 57.07 56.72 1amu s TYR 386 Cb 0.00 -2.09 -0.12 0.00 -0.40 0.00 0.00 41.96 39.35 1amu s TYR 386 CO 0.00 0.41 1.86 1.87 -1.57 0.00 0.00 175.55 178.12 1amu n TRP 387 N 3.06 2.30 -3.09 2.71 -0.00 0.97 -2.20 117.44 121.19 1amu n TRP 387 Ca -0.17 0.06 -0.21 0.00 -0.00 0.00 0.00 57.50 57.18 1amu n TRP 387 Cb 0.53 -2.64 0.01 0.00 -0.00 0.00 0.00 31.31 29.21 1amu n TRP 387 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1amu n LYS 388 N 6.44 -3.59 -3.23 5.87 4.76 -1.26 -4.73 118.16 122.42 1amu n LYS 388 Ca 0.23 0.63 -0.24 0.00 -2.87 0.00 0.00 58.31 56.06 1amu n LYS 388 Cb 0.28 -5.37 -0.07 0.00 -1.84 0.00 0.00 35.03 28.03 1amu n LYS 388 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1amu n ARG 389 N -3.64 1.22 -0.18 1.97 1.74 -0.94 -5.00 116.66 111.83 1amu n ARG 389 Ca -0.07 -3.61 -0.01 0.00 -0.77 0.00 0.00 57.85 53.39 1amu n ARG 389 Cb 0.58 -1.52 0.09 0.00 -1.02 0.00 0.00 32.46 30.58 1amu n ARG 389 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1amu h PRO 390 N 3.90 0.28 -0.22 5.56 0.13 -1.91 -1.19 132.00 138.56 1amu h PRO 390 Ca 0.10 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.15 1amu h PRO 390 Cb 0.83 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1amu h PRO 390 CO 0.56 0.19 -0.12 0.93 -0.23 0.00 0.00 178.00 179.33 1amu h GLU 391 N 0.29 0.47 -0.66 0.86 4.39 -1.97 -1.18 114.58 116.76 1amu h GLU 391 Ca 0.28 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 1amu h GLU 391 Cb 0.38 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1amu h GLU 391 CO -0.34 0.75 0.25 1.25 -1.16 0.00 0.00 179.01 179.76 1amu h LEU 392 N 0.17 0.91 -0.34 1.33 5.85 -1.96 -1.81 115.31 119.45 1amu h LEU 392 Ca 0.05 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1amu h LEU 392 Cb 0.62 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1amu h LEU 392 CO 0.03 0.83 0.20 0.74 -0.34 0.00 0.00 178.44 179.90 1amu h THR 393 N 0.96 1.12 0.00 1.05 2.02 -1.09 -0.98 112.91 116.00 1amu h THR 393 Ca 0.22 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1amu h THR 393 Cb 0.22 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1amu h THR 393 CO -0.02 0.12 -0.16 0.77 0.37 0.00 0.00 175.52 176.60 1amu h SER 394 N 0.44 0.00 0.31 4.18 4.64 -0.89 0.23 113.55 122.46 1amu h SER 394 Ca 0.12 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.12 1amu h SER 394 Cb 0.02 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1amu h SER 394 CO -0.02 0.16 -1.40 1.56 -0.87 0.00 0.00 176.83 176.26 1amu h GLN 395 N 0.00 0.51 0.04 4.77 4.20 -0.77 -3.38 115.11 120.48 1amu h GLN 395 Ca -0.00 -0.83 -0.33 0.00 0.06 0.00 0.00 58.65 57.55 1amu h GLN 395 Cb 0.43 0.30 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 1amu h GLN 395 CO 0.02 1.39 -1.91 1.63 -0.67 0.00 0.00 178.83 179.29 1amu n LYS 396 N -3.70 0.68 -3.56 1.46 4.76 -0.42 -4.58 118.16 112.80 1amu n LYS 396 Ca -0.15 0.25 -0.40 0.00 -2.87 0.00 0.00 58.31 55.14 1amu n LYS 396 Cb 1.07 -1.72 -0.06 0.00 -1.84 0.00 0.00 35.03 32.48 1amu n LYS 396 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1amu s PHE 397 N -2.57 3.73 0.55 2.13 0.40 0.79 -1.22 117.98 121.79 1amu s PHE 397 Ca -0.12 -2.64 -0.03 0.00 -0.60 0.00 0.00 56.93 53.54 1amu s PHE 397 Cb 0.07 -3.43 0.01 0.00 0.51 0.00 0.00 43.02 40.19 1amu s PHE 397 CO 0.80 -0.86 0.82 0.14 0.70 0.00 0.00 175.22 176.82 1amu s VAL 398 N -0.53 3.46 0.17 -0.44 -7.23 0.12 -4.53 120.40 111.41 1amu s VAL 398 Ca 0.22 -0.28 -0.32 0.00 -1.81 0.00 0.00 61.98 59.79 1amu s VAL 398 Cb -0.13 -3.34 -0.10 0.00 0.56 0.00 0.00 36.38 33.37 1amu s VAL 398 CO -0.08 -0.30 1.58 -1.81 -0.31 0.00 0.00 175.10 174.18 1amu s ASP 399 N -4.32 6.57 -0.41 4.85 1.01 -1.26 0.66 116.67 123.77 1amu s ASP 399 Ca 0.53 2.64 -0.29 0.00 0.71 0.00 0.00 52.55 56.14 1amu s ASP 399 Cb -0.10 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.24 1amu s ASP 399 CO 0.42 -0.83 1.37 0.21 0.21 0.00 0.00 175.17 176.55 1amu s ASN 400 N 1.13 6.40 0.00 0.27 3.84 -0.20 -4.64 114.94 121.74 1amu s ASN 400 Ca 0.70 0.83 0.22 0.00 0.21 0.00 0.00 52.86 54.82 1amu s ASN 400 Cb -0.44 -2.54 0.95 0.00 -0.55 0.00 0.00 41.25 38.67 1amu s ASN 400 CO 0.32 -1.38 1.70 -0.81 -2.79 0.00 0.00 177.10 174.13 1amu n PRO 401 N 7.98 0.02 -0.08 0.43 -0.04 -1.26 -3.41 135.00 138.64 1amu n PRO 401 Ca 0.16 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1amu n PRO 401 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 1amu n PRO 401 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1amu n PHE 402 N -1.48 0.35 -3.83 0.54 3.72 -1.26 -4.55 117.46 110.95 1amu n PHE 402 Ca 0.06 0.10 -0.29 0.00 -0.05 0.00 0.00 57.45 57.27 1amu n PHE 402 Cb 0.25 -1.06 -0.13 0.00 -0.94 0.00 0.00 39.48 37.61 1amu n PHE 402 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1amu s VAL 403 N -2.53 2.21 0.57 -4.37 1.01 -1.23 -5.10 120.40 110.96 1amu s VAL 403 Ca -0.18 -3.38 -0.19 0.00 0.00 0.00 0.00 61.98 58.22 1amu s VAL 403 Cb 0.07 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 1amu s VAL 403 CO 0.75 -0.92 1.00 -2.65 0.00 0.00 0.00 175.10 173.28 1amu n PRO 404 N 2.84 1.02 0.00 2.72 -0.02 -1.22 -2.29 135.00 138.05 1amu n PRO 404 Ca 0.12 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1amu n PRO 404 Cb 0.35 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1amu n PRO 404 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1amu n GLY 405 N 1.23 2.97 3.60 -1.23 0.00 -1.26 -5.04 105.19 105.46 1amu n GLY 405 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1amu n GLY 405 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1amu n GLU 406 N -0.17 0.18 -3.99 1.61 1.02 -0.97 -4.98 120.64 113.34 1amu n GLU 406 Ca 0.00 -2.65 -0.22 0.00 -0.02 0.00 0.00 57.16 54.27 1amu n GLU 406 Cb 0.00 -0.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.89 1amu n GLU 406 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1amu s LYS 407 N -4.74 2.57 -0.04 3.49 -0.14 -1.26 -1.03 119.74 118.59 1amu s LYS 407 Ca 0.60 -1.38 -0.00 0.00 -1.36 0.00 0.00 55.97 53.83 1amu s LYS 407 Cb -0.04 -2.34 0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1amu s LYS 407 CO 0.39 0.15 0.00 -1.17 -0.76 0.00 0.00 175.35 173.97 1amu s LEU 408 N -3.90 1.00 -0.19 3.17 2.96 0.21 -4.45 118.68 117.48 1amu s LEU 408 Ca 0.38 -0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 54.09 1amu s LEU 408 Cb -0.05 -0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.36 1amu s LEU 408 CO 0.24 -0.12 0.46 -0.47 -1.32 0.00 0.00 176.35 175.14 1amu s TYR 409 N 1.25 3.39 -0.43 5.38 5.04 0.48 -0.71 117.35 131.75 1amu s TYR 409 Ca -0.07 0.71 -0.21 0.00 -2.44 0.00 0.00 57.07 55.07 1amu s TYR 409 Cb -0.13 -2.59 0.02 0.00 0.35 0.00 0.00 41.96 39.60 1amu s TYR 409 CO -0.02 -0.04 0.65 0.15 -1.34 0.00 0.00 175.55 174.95 1amu s LYS 410 N 1.40 3.35 0.36 4.97 1.02 -0.36 -0.54 119.74 129.94 1amu s LYS 410 Ca 0.22 -0.29 0.19 0.00 0.02 0.00 0.00 55.97 56.10 1amu s LYS 410 Cb -0.15 -3.93 0.53 0.00 -0.52 0.00 0.00 37.83 33.77 1amu s LYS 410 CO 0.09 -0.97 1.66 1.79 -0.92 0.00 0.00 175.35 177.00 1amu h THR 411 N 5.85 0.80 0.00 2.17 1.35 -1.80 -3.47 112.91 117.81 1amu h THR 411 Ca -0.26 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 1amu h THR 411 Cb 1.10 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1amu h THR 411 CO 0.89 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 177.14 1amu n GLY 412 N 0.54 0.80 3.89 5.82 0.00 -1.26 -5.04 105.19 109.94 1amu n GLY 412 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1amu n GLY 412 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1amu s ASP 413 N -2.68 6.47 -0.03 1.61 1.01 -1.26 -1.04 116.67 120.73 1amu s ASP 413 Ca 0.00 0.51 -0.09 0.00 0.71 0.00 0.00 52.55 53.68 1amu s ASP 413 Cb 0.00 -2.07 -0.05 0.00 1.01 0.00 0.00 42.92 41.82 1amu s ASP 413 CO 0.00 0.22 0.27 -1.58 0.21 0.00 0.00 175.17 174.29 1amu s GLN 414 N -1.96 3.63 0.26 8.23 0.74 0.97 -1.03 119.66 130.49 1amu s GLN 414 Ca 0.30 0.05 -0.21 0.00 0.05 0.00 0.00 55.36 55.55 1amu s GLN 414 Cb -0.13 -3.15 0.04 0.00 1.10 0.00 0.00 33.01 30.87 1amu s GLN 414 CO 0.19 0.70 0.83 0.00 -0.55 0.00 0.00 175.29 176.45 1amu s ALA 415 N -1.15 -1.27 -0.03 1.58 0.00 -0.33 -0.54 121.76 120.02 1amu s ALA 415 Ca 0.22 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 1amu s ALA 415 Cb -0.14 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1amu s ALA 415 CO 0.11 -1.03 0.31 -0.98 0.00 0.00 0.00 175.76 174.17 1amu s ARG 416 N -3.28 0.61 0.09 0.00 1.70 -0.56 -1.10 118.95 116.40 1amu s ARG 416 Ca 0.13 -0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 55.01 1amu s ARG 416 Cb -0.04 0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 34.55 1amu s ARG 416 CO 0.07 -0.15 1.06 -1.58 -1.08 0.00 0.00 175.30 173.62 1amu s TRP 417 N -1.04 3.62 0.64 5.89 0.52 -1.26 -0.91 118.94 126.39 1amu s TRP 417 Ca -0.11 1.59 -0.06 0.00 0.02 0.00 0.00 56.10 57.54 1amu s TRP 417 Cb -0.05 -3.22 0.14 0.00 -1.15 0.00 0.00 33.47 29.18 1amu s TRP 417 CO 0.03 -0.45 0.87 1.28 0.02 0.00 0.00 176.95 178.70 1amu n LEU 418 N 3.28 0.00 -0.07 2.99 4.77 0.78 -1.77 117.00 126.97 1amu n LEU 418 Ca 0.05 -1.38 -0.14 0.00 -0.03 0.00 0.00 56.01 54.50 1amu n LEU 418 Cb 0.48 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1amu n LEU 418 CO 0.53 -1.02 0.49 0.77 -1.33 0.00 0.00 177.39 176.83 1amu h SER 419 N -0.83 0.70 -0.07 -1.43 4.64 -1.97 -3.32 113.55 111.26 1amu h SER 419 Ca -0.28 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 1amu h SER 419 Cb 0.91 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1amu h SER 419 CO 0.25 1.11 0.00 -0.90 -0.87 0.00 0.00 176.83 176.42 1amu n ASP 420 N -4.25 0.65 0.00 4.97 5.75 -1.26 -4.84 116.55 117.57 1amu n ASP 420 Ca -0.06 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1amu n ASP 420 Cb 0.52 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1amu n ASP 420 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1amu n GLY 421 N 0.50 0.85 3.89 6.12 0.00 -1.25 -5.05 105.19 110.26 1amu n GLY 421 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1amu n GLY 421 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1amu s ASN 422 N -2.98 6.51 -0.12 1.61 0.01 -1.26 -4.52 114.94 114.19 1amu s ASN 422 Ca 0.00 0.66 -0.09 0.00 -0.71 0.00 0.00 52.86 52.72 1amu s ASN 422 Cb 0.00 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 1amu s ASN 422 CO 0.00 0.01 0.17 -0.63 -1.51 0.00 0.00 177.10 175.14 1amu s ILE 423 N -1.73 5.43 -0.21 0.60 1.01 0.31 -0.16 121.20 126.45 1amu s ILE 423 Ca 0.42 0.29 -0.06 0.00 0.00 0.00 0.00 60.65 61.30 1amu s ILE 423 Cb -0.12 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 1amu s ILE 423 CO 0.24 0.57 0.04 -0.70 0.00 0.00 0.00 174.94 175.09 1amu s GLU 424 N -0.70 3.71 -0.01 2.79 2.12 -0.09 -0.96 118.70 125.56 1amu s GLU 424 Ca 0.15 -0.47 -0.29 0.00 0.36 0.00 0.00 54.97 54.72 1amu s GLU 424 Cb -0.12 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1amu s GLU 424 CO 0.04 -0.01 0.95 -0.47 -0.54 0.00 0.00 175.26 175.23 1amu s TYR 425 N 1.09 3.65 -0.63 5.30 5.04 -1.26 -1.49 117.35 129.05 1amu s TYR 425 Ca 0.03 1.65 0.06 0.00 -2.44 0.00 0.00 57.07 56.38 1amu s TYR 425 Cb -0.14 -3.09 0.12 0.00 0.35 0.00 0.00 41.96 39.20 1amu s TYR 425 CO 0.03 0.00 0.96 1.28 -1.34 0.00 0.00 175.55 176.48 1amu n LEU 426 N 3.88 2.11 0.00 6.97 4.77 0.30 -4.96 117.00 130.07 1amu n LEU 426 Ca 0.05 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 54.45 1amu n LEU 426 Cb 0.51 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1amu n LEU 426 CO 0.51 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1amu n GLY 427 N 0.19 1.55 3.75 -0.72 0.00 -1.20 -4.78 105.19 103.98 1amu n GLY 427 Ca 0.05 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 1amu n GLY 427 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1amu s ARG 428 N -1.81 4.62 0.49 1.61 1.81 -1.26 -0.02 118.95 124.39 1amu s ARG 428 Ca 0.00 1.79 0.14 0.00 -1.72 0.00 0.00 55.73 55.94 1amu s ARG 428 Cb 0.00 -3.21 1.17 0.00 -0.45 0.00 0.00 34.95 32.46 1amu s ARG 428 CO 0.00 0.16 2.11 0.82 -0.68 0.00 0.00 175.30 177.72 1amu h ILE 429 N 3.29 1.01 -0.19 1.52 2.04 -1.40 -1.13 117.51 122.64 1amu h ILE 429 Ca -0.46 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1amu h ILE 429 Cb 1.21 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1amu h ILE 429 CO 0.69 0.03 -0.11 0.44 0.00 0.00 0.00 178.15 179.19 1amu h ASP 430 N 0.14 0.29 0.00 1.72 3.32 -1.92 -2.71 116.42 117.27 1amu h ASP 430 Ca 0.06 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1amu h ASP 430 Cb 0.06 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1amu h ASP 430 CO -0.01 0.44 0.00 0.59 -1.72 0.00 0.00 179.24 178.54 1amu n ASN 431 N -4.26 0.72 -4.46 6.45 3.02 -0.43 -4.63 115.26 111.66 1amu n ASN 431 Ca -0.00 -1.95 -0.43 0.00 -0.03 0.00 0.00 54.58 52.17 1amu n ASN 431 Cb 0.27 -0.36 -0.09 0.00 -0.61 0.00 0.00 39.78 39.00 1amu n ASN 431 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1amu s GLN 432 N -1.26 3.06 0.07 3.52 -0.21 -1.02 -1.43 119.66 122.38 1amu s GLN 432 Ca 0.00 -0.90 0.08 0.00 0.02 0.00 0.00 55.36 54.56 1amu s GLN 432 Cb 0.00 -4.01 -0.04 0.00 1.00 0.00 0.00 33.01 29.97 1amu s GLN 432 CO 0.00 -0.89 -0.19 0.14 -2.12 0.00 0.00 175.29 172.23 1amu s VAL 433 N 2.03 2.78 -0.14 1.09 -7.23 0.22 -4.95 120.40 114.19 1amu s VAL 433 Ca 0.10 -1.33 -0.16 0.00 -1.81 0.00 0.00 61.98 58.77 1amu s VAL 433 Cb -0.19 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1amu s VAL 433 CO 0.12 0.24 0.39 -1.59 -0.31 0.00 0.00 175.10 173.94 1amu s LYS 434 N -1.73 4.29 -0.06 4.82 0.00 -1.26 -0.85 119.74 124.95 1amu s LYS 434 Ca 0.16 0.27 -0.02 0.00 0.00 0.00 0.00 55.97 56.38 1amu s LYS 434 Cb -0.10 -3.44 0.03 0.00 0.00 0.00 0.00 37.83 34.32 1amu s LYS 434 CO 0.07 0.17 0.05 0.42 0.00 0.00 0.00 175.35 176.06 1amu s ILE 435 N 0.63 -0.00 -1.34 3.79 1.01 0.04 -4.82 121.20 120.50 1amu s ILE 435 Ca 0.21 0.31 -0.07 0.00 0.00 0.00 0.00 60.65 61.11 1amu s ILE 435 Cb -0.14 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.08 1amu s ILE 435 CO 0.07 0.15 1.06 -2.11 0.00 0.00 0.00 174.94 174.12 1amu n ARG 436 N 5.26 -6.95 -0.74 2.79 1.85 -1.26 -1.55 116.66 116.06 1amu n ARG 436 Ca -0.04 0.78 0.00 0.00 -1.00 0.00 0.00 57.85 57.58 1amu n ARG 436 Cb 0.50 -5.75 0.00 0.00 -1.05 0.00 0.00 32.46 26.16 1amu n ARG 436 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1amu n GLY 437 N -1.70 0.47 3.81 2.89 0.00 -1.26 -4.97 105.19 104.44 1amu n GLY 437 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1amu n GLY 437 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1amu s HIS 438 N -2.41 3.17 -0.25 1.61 3.76 -0.60 -5.09 115.29 115.48 1amu s HIS 438 Ca 0.00 -0.02 -0.17 0.00 -0.15 0.00 0.00 55.06 54.72 1amu s HIS 438 Cb 0.00 -1.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.15 1amu s HIS 438 CO 0.00 0.52 0.47 -0.98 -0.85 0.00 0.00 174.74 173.90 1amu s ARG 439 N -3.24 4.09 -0.06 1.40 3.03 -1.26 -0.78 118.95 122.13 1amu s ARG 439 Ca 0.31 0.26 0.06 0.00 2.03 0.00 0.00 55.73 58.39 1amu s ARG 439 Cb -0.10 -3.63 -0.01 0.00 -1.03 0.00 0.00 34.95 30.19 1amu s ARG 439 CO 0.24 -0.27 -0.25 0.08 -1.13 0.00 0.00 175.30 173.97 1amu s VAL 440 N 2.05 2.03 -0.27 4.99 1.01 -0.03 -4.99 120.40 125.19 1amu s VAL 440 Ca 0.20 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1amu s VAL 440 Cb -0.16 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1amu s VAL 440 CO 0.09 0.56 0.08 -1.61 0.00 0.00 0.00 175.10 174.23 1amu s GLU 441 N -0.14 3.46 0.27 2.72 2.02 -1.26 -0.61 118.70 125.15 1amu s GLU 441 Ca -0.04 -0.61 -0.00 0.00 0.02 0.00 0.00 54.97 54.34 1amu s GLU 441 Cb -0.14 -3.36 0.55 0.00 0.10 0.00 0.00 34.13 31.28 1amu s GLU 441 CO 0.04 -0.29 1.79 -0.07 0.02 0.00 0.00 175.26 176.75 1amu h LEU 442 N 8.25 0.68 -1.87 1.80 3.38 -1.62 -1.01 115.31 124.92 1amu h LEU 442 Ca -0.36 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1amu h LEU 442 Cb 1.16 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1amu h LEU 442 CO 0.59 0.32 -0.10 -0.33 0.09 0.00 0.00 178.44 179.01 1amu h GLU 443 N 0.75 0.00 -0.07 1.13 3.07 -1.88 -1.44 114.58 116.15 1amu h GLU 443 Ca 0.48 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.14 1amu h GLU 443 Cb 0.61 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1amu h GLU 443 CO -0.32 0.10 -0.78 1.49 -1.40 0.00 0.00 179.01 178.09 1amu h GLU 444 N 0.00 0.44 -0.47 2.33 4.81 -1.49 -1.38 114.58 118.83 1amu h GLU 444 Ca -0.00 -0.39 -0.10 0.00 -0.13 0.00 0.00 59.36 58.74 1amu h GLU 444 Cb 0.19 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1amu h GLU 444 CO 0.01 1.03 -0.09 0.28 -0.73 0.00 0.00 179.01 179.51 1amu h VAL 445 N 0.29 1.27 0.02 0.32 2.07 -1.28 -2.38 116.25 116.56 1amu h VAL 445 Ca -0.04 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.27 1amu h VAL 445 Cb 1.37 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1amu h VAL 445 CO 0.14 0.42 -0.05 -0.33 0.02 0.00 0.00 177.57 177.76 1amu h GLU 446 N 0.74 -0.09 -0.50 1.57 5.08 -1.16 -1.42 114.58 118.80 1amu h GLU 446 Ca 0.12 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1amu h GLU 446 Cb 0.64 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1amu h GLU 446 CO 0.04 -0.06 -0.02 0.66 -1.00 0.00 0.00 179.01 178.63 1amu h SER 447 N -0.10 0.83 -0.11 1.42 4.64 -1.24 -1.59 113.55 117.41 1amu h SER 447 Ca 0.02 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 1amu h SER 447 Cb 0.11 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1amu h SER 447 CO -0.04 0.91 0.00 0.40 -0.87 0.00 0.00 176.83 177.23 1amu h ILE 448 N 0.79 1.24 -0.31 0.95 2.04 -1.28 -2.95 117.51 117.99 1amu h ILE 448 Ca 0.15 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1amu h ILE 448 Cb 0.51 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1amu h ILE 448 CO 0.03 0.22 0.08 -0.07 0.00 0.00 0.00 178.15 178.40 1amu h LEU 449 N -0.07 0.41 -2.29 1.44 3.38 -1.20 -1.71 115.31 115.27 1amu h LEU 449 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1amu h LEU 449 Cb 0.34 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1amu h LEU 449 CO 0.00 0.42 0.00 0.25 0.09 0.00 0.00 178.44 179.20 1amu h LEU 450 N 0.44 0.00 -1.47 1.67 5.85 -1.11 -1.92 115.31 118.77 1amu h LEU 450 Ca 0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1amu h LEU 450 Cb 0.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1amu h LEU 450 CO -0.00 0.00 -0.03 0.11 -0.34 0.00 0.00 178.44 178.18 1amu h LYS 451 N 0.00 0.00 -6.48 1.25 1.57 -1.28 -3.45 116.57 108.19 1amu h LYS 451 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1amu h LYS 451 Cb 0.06 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.42 1amu h LYS 451 CO 0.00 0.03 0.86 1.58 -0.57 0.00 0.00 179.45 181.35 1amu n HIS 452 N -3.14 2.31 0.22 -1.35 -0.00 -0.73 -4.84 115.22 107.69 1amu n HIS 452 Ca 0.00 0.21 0.18 0.00 0.46 0.00 0.00 57.72 58.57 1amu n HIS 452 Cb 0.31 -2.57 0.80 0.00 -0.12 0.00 0.00 29.99 28.41 1amu n HIS 452 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1amu h MET 453 N 6.54 0.00 0.00 1.57 -0.00 -1.90 -1.33 114.93 119.80 1amu h MET 453 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 1amu h MET 453 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 1amu h MET 453 CO 0.90 0.00 -0.91 0.66 -0.00 0.00 0.00 176.91 177.56 1amu n TYR 454 N -3.35 0.00 -3.08 -0.10 4.01 -1.26 -4.94 117.16 108.43 1amu n TYR 454 Ca 0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.36 1amu n TYR 454 Cb 0.47 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.39 1amu n TYR 454 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1amu s ILE 455 N -2.62 5.01 -0.13 -0.72 1.01 -0.50 -4.25 121.20 118.99 1amu s ILE 455 Ca 0.04 1.26 0.19 0.00 0.00 0.00 0.00 60.65 62.14 1amu s ILE 455 Cb 0.12 -3.98 -0.25 0.00 0.01 0.00 0.00 42.46 38.37 1amu s ILE 455 CO 0.67 0.11 0.36 -1.54 0.00 0.00 0.00 174.94 174.54 1amu n SER 456 N 4.96 0.22 -3.80 3.58 3.41 -0.36 -4.77 113.62 116.86 1amu n SER 456 Ca -0.01 0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.58 1amu n SER 456 Cb 0.50 1.04 -0.10 0.00 -0.26 0.00 0.00 64.21 65.38 1amu n SER 456 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1amu s GLU 457 N -2.86 0.47 0.06 4.33 2.02 -1.23 -4.99 118.70 116.51 1amu s GLU 457 Ca -0.08 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 54.88 1amu s GLU 457 Cb 0.09 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.49 1amu s GLU 457 CO 0.85 -0.10 -0.05 0.95 0.02 0.00 0.00 175.26 176.92 1amu s THR 458 N -0.77 0.44 -0.22 3.63 -4.23 -1.26 -1.28 115.64 111.95 1amu s THR 458 Ca -0.09 -1.65 -0.15 0.00 -1.18 0.00 0.00 61.69 58.62 1amu s THR 458 Cb -0.05 -1.30 0.07 0.00 1.34 0.00 0.00 72.50 72.56 1amu s THR 458 CO 0.02 -0.80 0.57 0.00 -0.54 0.00 0.00 174.62 173.86 1amu s ALA 459 N -3.14 -1.47 -0.03 3.99 0.00 -0.23 -4.98 121.76 115.90 1amu s ALA 459 Ca 0.04 1.88 0.07 0.00 0.00 0.00 0.00 51.96 53.95 1amu s ALA 459 Cb 0.02 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 1amu s ALA 459 CO -0.05 -0.31 -0.25 0.08 0.00 0.00 0.00 175.76 175.23 1amu s VAL 460 N 1.11 2.02 0.22 0.00 1.01 -1.26 0.10 120.40 123.60 1amu s VAL 460 Ca -0.06 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 60.88 1amu s VAL 460 Cb -0.06 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1amu s VAL 460 CO -0.11 0.57 -0.03 -0.94 0.00 0.00 0.00 175.10 174.60 1amu s SER 461 N -0.47 1.91 -0.04 3.32 1.04 -0.30 -4.96 113.70 114.20 1amu s SER 461 Ca 0.06 -1.18 0.04 0.00 0.48 0.00 0.00 55.95 55.35 1amu s SER 461 Cb -0.11 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 1amu s SER 461 CO 0.00 -0.46 -0.14 -0.69 0.98 0.00 0.00 173.24 172.93 1amu s VAL 462 N -3.36 3.09 0.11 5.02 1.01 -1.26 -1.20 120.40 123.80 1amu s VAL 462 Ca 0.26 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1amu s VAL 462 Cb 0.05 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1amu s VAL 462 CO 0.08 0.57 0.10 -1.00 0.00 0.00 0.00 175.10 174.84 1amu s HIS 463 N -0.76 0.60 -0.09 5.22 3.76 -0.48 -4.97 115.29 118.57 1amu s HIS 463 Ca 0.12 -1.02 -0.00 0.00 -0.15 0.00 0.00 55.06 54.01 1amu s HIS 463 Cb -0.11 -0.32 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 1amu s HIS 463 CO 0.01 -0.53 -0.06 -1.59 -0.85 0.00 0.00 174.74 171.72 1amu s LYS 464 N -3.98 3.01 0.50 1.40 0.00 -1.26 0.10 119.74 119.52 1amu s LYS 464 Ca 0.16 -0.54 -0.08 0.00 0.00 0.00 0.00 55.97 55.50 1amu s LYS 464 Cb 0.06 -2.68 0.11 0.00 0.00 0.00 0.00 37.83 35.33 1amu s LYS 464 CO -0.03 0.54 0.68 -0.40 0.00 0.00 0.00 175.35 176.14 1amu n ASP 465 N 2.60 0.08 0.30 0.03 5.68 -0.05 -4.84 116.55 120.35 1amu n ASP 465 Ca -0.18 -1.26 0.19 0.00 -0.50 0.00 0.00 54.79 53.04 1amu n ASP 465 Cb 0.53 -0.52 1.01 0.00 -1.14 0.00 0.00 41.12 41.00 1amu n ASP 465 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1amu h HIS 466 N -1.37 0.00 -0.70 2.11 3.86 -1.91 0.21 115.15 117.34 1amu h HIS 466 Ca -0.22 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.80 1amu h HIS 466 Cb 0.61 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.97 1amu h HIS 466 CO 0.00 0.00 0.24 1.04 0.86 0.00 0.00 177.93 180.07 1amu n GLN 467 N -3.28 3.81 -1.34 2.45 3.00 -1.26 -4.92 117.38 115.85 1amu n GLN 467 Ca -0.02 -2.98 -0.13 0.00 -0.01 0.00 0.00 57.00 53.86 1amu n GLN 467 Cb 0.21 -2.20 -0.06 0.00 0.00 0.00 0.00 30.24 28.19 1amu n GLN 467 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1amu n GLU 468 N -0.03 -1.57 -3.50 -1.09 0.00 0.72 -4.97 120.64 110.21 1amu n GLU 468 Ca 0.38 0.89 -0.38 0.00 0.00 0.00 0.00 57.16 58.05 1amu n GLU 468 Cb 1.34 -5.19 -0.06 0.00 0.00 0.00 0.00 31.44 27.53 1amu n GLU 468 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1amu s GLN 469 N -3.02 3.90 0.44 3.44 -1.52 -1.26 -4.75 119.66 116.89 1amu s GLN 469 Ca 0.00 0.39 -0.23 0.00 -1.95 0.00 0.00 55.36 53.57 1amu s GLN 469 Cb 0.00 -3.19 -0.08 0.00 -0.22 0.00 0.00 33.01 29.52 1amu s GLN 469 CO 0.00 0.67 1.12 -1.25 -0.25 0.00 0.00 175.29 175.58 1amu s PRO 470 N -1.20 3.92 0.02 2.91 0.04 -1.26 -0.87 135.00 138.56 1amu s PRO 470 Ca 0.25 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 1amu s PRO 470 Cb -0.16 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.93 1amu s PRO 470 CO 0.14 -0.39 0.30 1.52 0.04 0.00 0.00 177.00 178.61 1amu s TYR 471 N -1.59 -0.13 0.03 0.56 1.13 0.12 -4.87 117.35 112.60 1amu s TYR 471 Ca 0.61 0.09 -0.17 0.00 -1.41 0.00 0.00 57.07 56.19 1amu s TYR 471 Cb -0.26 0.08 -0.06 0.00 -1.10 0.00 0.00 41.96 40.62 1amu s TYR 471 CO 0.32 -0.44 0.48 -0.51 -2.51 0.00 0.00 175.55 172.89 1amu s LEU 472 N -1.71 4.49 -0.10 -3.49 1.43 -1.26 -1.38 118.68 116.66 1amu s LEU 472 Ca -0.09 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 1amu s LEU 472 Cb -0.03 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.48 1amu s LEU 472 CO 0.00 0.29 -0.12 0.00 0.23 0.00 0.00 176.35 176.76 1amu s ALA 474 N 1.17 3.44 -0.08 0.00 0.00 0.03 -1.15 121.76 125.17 1amu s ALA 474 Ca -0.04 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1amu s ALA 474 Cb -0.14 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 1amu s ALA 474 CO -0.03 0.05 -0.08 0.71 0.00 0.00 0.00 175.76 176.41 1amu s TYR 475 N 0.60 2.91 0.04 0.00 1.51 0.11 -0.04 117.35 122.48 1amu s TYR 475 Ca 0.04 -0.07 -0.10 0.00 -1.01 0.00 0.00 57.07 55.94 1amu s TYR 475 Cb -0.13 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 1amu s TYR 475 CO 0.01 0.24 0.20 -0.59 -1.11 0.00 0.00 175.55 174.31 1amu s PHE 476 N -0.62 0.05 -0.06 2.71 -0.71 -0.73 -1.06 117.98 117.56 1amu s PHE 476 Ca 0.09 -0.27 0.04 0.00 -1.04 0.00 0.00 56.93 55.75 1amu s PHE 476 Cb -0.12 -0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.65 1amu s PHE 476 CO 0.02 -0.44 -0.18 0.08 -1.34 0.00 0.00 175.22 173.36 1amu s VAL 477 N -2.61 2.76 -0.12 -2.49 1.01 -0.40 -1.18 120.40 117.37 1amu s VAL 477 Ca -0.05 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 1amu s VAL 477 Cb -0.01 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1amu s VAL 477 CO -0.04 0.58 0.49 -0.55 0.00 0.00 0.00 175.10 175.57 1amu s SER 478 N -0.50 -0.47 0.27 3.32 0.15 -1.26 -1.22 113.70 113.99 1amu s SER 478 Ca 0.06 0.74 -0.04 0.00 0.70 0.00 0.00 55.95 57.41 1amu s SER 478 Cb -0.12 0.77 0.34 0.00 -1.71 0.00 0.00 66.02 65.30 1amu s SER 478 CO 0.01 -0.32 1.94 -0.33 1.20 0.00 0.00 173.24 175.75 1amu h GLU 479 N 4.58 1.21 -6.02 5.44 5.08 -1.99 -3.43 114.58 119.44 1amu h GLU 479 Ca -0.28 -0.08 -0.60 0.00 -1.00 0.00 0.00 59.36 57.40 1amu h GLU 479 Cb 1.17 -0.27 -0.12 0.00 0.50 0.00 0.00 28.75 30.03 1amu h GLU 479 CO 0.28 0.81 -0.67 0.15 -1.00 0.00 0.00 179.01 178.58 1amu s LYS 480 N -5.99 1.91 -0.09 2.33 1.02 -1.26 -5.09 119.74 112.56 1amu s LYS 480 Ca -0.12 -1.82 -0.30 0.00 0.02 0.00 0.00 55.97 53.75 1amu s LYS 480 Cb 0.18 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 1amu s LYS 480 CO 0.81 0.18 1.41 -1.58 -0.92 0.00 0.00 175.35 175.24 1amu s HIS 481 N -2.55 2.60 -0.23 3.18 2.46 -1.26 -5.00 115.29 114.48 1amu s HIS 481 Ca 0.33 0.73 -0.15 0.00 0.47 0.00 0.00 55.06 56.44 1amu s HIS 481 Cb -0.00 -3.66 -0.04 0.00 -0.13 0.00 0.00 32.58 28.75 1amu s HIS 481 CO 0.17 -2.49 0.37 0.42 -2.47 0.00 0.00 174.74 170.75 1amu s ILE 482 N 3.39 5.20 0.23 0.89 1.01 -1.26 -5.05 121.20 125.61 1amu s ILE 482 Ca 0.62 0.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.58 1amu s ILE 482 Cb -0.27 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.38 1amu s ILE 482 CO 0.22 0.22 1.62 -2.16 0.00 0.00 0.00 174.94 174.83 1amu s PRO 483 N 1.62 4.16 0.38 2.79 0.04 -1.26 -4.88 135.00 137.84 1amu s PRO 483 Ca 0.17 2.51 0.12 0.00 0.04 0.00 0.00 61.00 63.83 1amu s PRO 483 Cb -0.15 -3.08 0.91 0.00 0.04 0.00 0.00 34.50 32.22 1amu s PRO 483 CO 0.08 -0.65 1.86 -0.07 0.04 0.00 0.00 177.00 178.27 1amu h LEU 484 N 5.99 0.57 -0.83 -3.56 3.38 -1.98 -0.12 115.31 118.75 1amu h LEU 484 Ca -0.44 0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.66 1amu h LEU 484 Cb 1.21 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 1amu h LEU 484 CO 0.88 0.26 0.49 1.05 0.09 0.00 0.00 178.44 181.21 1amu h GLU 485 N 0.58 0.81 -0.22 1.13 9.09 -1.99 0.10 114.58 124.09 1amu h GLU 485 Ca 0.46 -0.05 -0.14 0.00 0.05 0.00 0.00 59.36 59.68 1amu h GLU 485 Cb 0.89 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 27.80 1amu h GLU 485 CO -0.21 0.54 -0.45 1.96 0.05 0.00 0.00 179.01 180.90 1amu h GLN 486 N 0.84 0.56 -0.67 1.06 4.20 -1.40 -1.22 115.11 118.48 1amu h GLN 486 Ca 0.39 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1amu h GLN 486 Cb 0.31 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1amu h GLN 486 CO -0.23 0.90 0.15 -0.07 -0.67 0.00 0.00 178.83 178.91 1amu h LEU 487 N 0.45 1.03 -0.41 1.46 3.38 -0.89 -0.38 115.31 119.95 1amu h LEU 487 Ca 0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1amu h LEU 487 Cb 0.96 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1amu h LEU 487 CO 0.09 1.01 0.05 0.03 0.09 0.00 0.00 178.44 179.70 1amu h ARG 488 N 1.01 0.69 -0.10 1.13 3.08 -0.64 -0.98 114.38 118.57 1amu h ARG 488 Ca 0.21 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1amu h ARG 488 Cb 0.39 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1amu h ARG 488 CO 0.01 0.74 0.02 0.37 -1.07 0.00 0.00 179.97 180.04 1amu h GLN 489 N 0.53 0.16 -0.44 0.04 5.75 -1.06 -1.10 115.11 118.99 1amu h GLN 489 Ca 0.12 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.66 1amu h GLN 489 Cb 0.40 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.86 1amu h GLN 489 CO 0.01 0.34 0.05 0.35 -2.65 0.00 0.00 178.83 176.93 1amu h PHE 490 N -0.05 0.07 -0.74 3.99 3.57 -1.04 -1.18 116.94 121.56 1amu h PHE 490 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1amu h PHE 490 Cb 0.25 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1amu h PHE 490 CO 0.01 -0.04 0.43 0.77 -2.23 0.00 0.00 178.31 177.25 1amu h SER 491 N 0.17 0.89 -0.49 0.41 0.02 -1.01 -1.20 113.55 112.34 1amu h SER 491 Ca 0.22 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1amu h SER 491 Cb 0.30 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1amu h SER 491 CO -0.32 0.70 0.24 -1.28 -1.14 0.00 0.00 176.83 175.03 1amu h SER 492 N 1.02 0.67 0.88 3.07 0.87 -0.01 0.10 113.55 120.15 1amu h SER 492 Ca 0.26 -0.07 -0.23 0.00 -1.23 0.00 0.00 61.79 60.53 1amu h SER 492 Cb -0.01 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 1amu h SER 492 CO -0.05 0.58 -1.16 -0.33 -0.53 0.00 0.00 176.83 175.35 1amu h GLU 493 N 0.74 0.02 0.00 2.24 5.08 -0.64 -3.39 114.58 118.63 1amu h GLU 493 Ca 0.18 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1amu h GLU 493 Cb 0.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1amu h GLU 493 CO -0.02 0.91 -2.02 0.39 -1.00 0.00 0.00 179.01 177.27 1amu n GLU 494 N -3.30 0.67 -4.39 2.33 -0.58 -0.53 -5.01 120.64 109.84 1amu n GLU 494 Ca -0.04 -0.15 -0.24 0.00 -0.42 0.00 0.00 57.16 56.31 1amu n GLU 494 Cb 0.97 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 30.21 1amu n GLU 494 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1amu s LEU 495 N -4.64 2.25 0.52 -4.62 1.43 0.34 -5.07 118.68 108.89 1amu s LEU 495 Ca -0.08 -0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 52.19 1amu s LEU 495 Cb 0.12 -0.88 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 1amu s LEU 495 CO 0.85 0.08 1.15 -2.84 0.23 0.00 0.00 176.35 175.82 1amu s PRO 496 N -1.64 3.44 0.28 1.29 0.02 -1.26 -4.67 135.00 132.45 1amu s PRO 496 Ca 0.06 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.78 1amu s PRO 496 Cb -0.10 -2.13 0.64 0.00 0.02 0.00 0.00 34.50 32.93 1amu s PRO 496 CO 0.03 -0.80 1.66 1.15 -0.33 0.00 0.00 177.00 178.71 1amu h THR 497 N 1.39 0.37 0.00 0.99 2.02 -1.93 0.28 112.91 116.03 1amu h THR 497 Ca -0.50 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1amu h THR 497 Cb 1.26 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1amu h THR 497 CO 0.58 0.04 0.00 0.00 0.37 0.00 0.00 175.52 176.51 1amu n TYR 498 N -5.20 0.00 0.79 3.16 0.18 -1.26 -2.03 117.16 112.80 1amu n TYR 498 Ca 0.19 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.06 1amu n TYR 498 Cb 0.62 -0.47 0.01 0.00 -0.38 0.00 0.00 39.34 39.12 1amu n TYR 498 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1amu n MET 499 N -1.47 1.57 -2.36 -3.48 2.81 0.95 -4.92 117.12 110.22 1amu n MET 499 Ca 0.03 -0.95 -0.42 0.00 -1.81 0.00 0.00 57.70 54.55 1amu n MET 499 Cb 0.14 -1.33 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 1amu n MET 499 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1amu s ILE 500 N -1.99 4.07 0.38 2.02 1.01 -0.86 -4.91 121.20 120.92 1amu s ILE 500 Ca 0.16 1.39 -0.28 0.00 0.00 0.00 0.00 60.65 61.91 1amu s ILE 500 Cb 0.14 -3.89 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 1amu s ILE 500 CO 0.42 -0.04 1.45 -2.84 0.00 0.00 0.00 174.94 173.94 1amu s PRO 501 N 2.67 4.11 0.26 2.79 0.02 -1.26 -4.84 135.00 138.75 1amu s PRO 501 Ca 0.59 2.50 0.12 0.00 0.02 0.00 0.00 61.00 64.23 1amu s PRO 501 Cb -0.26 -2.95 0.28 0.00 0.02 0.00 0.00 34.50 31.59 1amu s PRO 501 CO 0.22 -0.51 1.56 0.77 -0.33 0.00 0.00 177.00 178.71 1amu h SER 502 N 2.99 0.00 -4.01 2.53 0.02 -1.60 -3.45 113.55 110.03 1amu h SER 502 Ca -0.51 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.14 1amu h SER 502 Cb 1.24 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.51 1amu h SER 502 CO 0.64 0.64 -0.75 -0.31 -1.14 0.00 0.00 176.83 175.91 1amu s TYR 503 N -3.38 0.43 -0.09 3.45 2.02 -1.20 -5.07 117.35 113.51 1amu s TYR 503 Ca -0.00 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1amu s TYR 503 Cb 0.11 -0.27 -0.01 0.00 -0.40 0.00 0.00 41.96 41.39 1amu s TYR 503 CO 0.76 -0.02 -0.19 -0.06 -1.57 0.00 0.00 175.55 174.46 1amu s PHE 504 N -0.29 2.62 -0.10 2.71 0.40 -1.26 -0.79 117.98 121.28 1amu s PHE 504 Ca -0.00 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.63 1amu s PHE 504 Cb -0.03 -1.70 0.04 0.00 0.51 0.00 0.00 43.02 41.83 1amu s PHE 504 CO -0.00 -0.20 0.03 0.42 0.70 0.00 0.00 175.22 176.17 1amu s ILE 505 N 0.02 0.26 -0.13 0.64 1.01 0.95 -4.97 121.20 118.98 1amu s ILE 505 Ca -0.07 0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.34 1amu s ILE 505 Cb -0.15 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 1amu s ILE 505 CO 0.05 0.10 0.86 -1.58 0.00 0.00 0.00 174.94 174.37 1amu s GLN 506 N 2.01 4.36 0.02 2.79 0.74 -1.26 -1.77 119.66 126.54 1amu s GLN 506 Ca 0.04 1.11 0.03 0.00 0.05 0.00 0.00 55.36 56.58 1amu s GLN 506 Cb -0.13 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 1amu s GLN 506 CO -0.06 -0.26 -0.05 -0.51 -0.55 0.00 0.00 175.29 173.86 1amu s LEU 507 N 1.89 3.24 0.24 3.68 1.43 -0.32 -4.93 118.68 123.90 1amu s LEU 507 Ca 0.41 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1amu s LEU 507 Cb -0.17 -1.88 0.25 0.00 0.03 0.00 0.00 46.19 44.41 1amu s LEU 507 CO 0.15 0.27 1.77 0.44 0.23 0.00 0.00 176.35 179.21 1amu h ASP 508 N 4.33 0.94 -5.02 2.29 3.32 -1.96 -3.40 116.42 116.93 1amu h ASP 508 Ca -0.48 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.28 1amu h ASP 508 Cb 1.17 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.29 1amu h ASP 508 CO 0.55 0.91 -0.22 -1.59 -1.72 0.00 0.00 179.24 177.16 1amu s LYS 509 N -5.28 0.77 0.15 3.56 -2.85 -1.26 -4.89 119.74 109.95 1amu s LYS 509 Ca -0.11 -0.29 -0.30 0.00 -1.00 0.00 0.00 55.97 54.27 1amu s LYS 509 Cb 0.15 0.34 -0.07 0.00 -2.06 0.00 0.00 37.83 36.19 1amu s LYS 509 CO 0.83 -0.23 1.15 -1.64 0.10 0.00 0.00 175.35 175.55 1amu s MET 510 N -1.87 4.53 -0.09 1.78 -1.94 -1.26 -5.01 119.30 115.44 1amu s MET 510 Ca -0.10 1.77 -0.30 0.00 -1.71 0.00 0.00 55.69 55.36 1amu s MET 510 Cb -0.03 -3.28 -0.02 0.00 2.01 0.00 0.00 34.83 33.51 1amu s MET 510 CO 0.01 -0.05 1.11 -1.25 -0.01 0.00 0.00 175.02 174.84 1amu s PRO 511 N -0.02 4.38 0.18 2.03 0.04 -1.26 -5.01 135.00 135.33 1amu s PRO 511 Ca 0.52 1.53 0.11 0.00 0.04 0.00 0.00 61.00 63.21 1amu s PRO 511 Cb -0.30 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1amu s PRO 511 CO 0.34 -0.41 -0.23 -0.51 0.04 0.00 0.00 177.00 176.24 1amu s LEU 512 N 2.21 2.47 0.96 -3.56 1.43 -1.26 -0.68 118.68 120.24 1amu s LEU 512 Ca 0.52 -0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 1amu s LEU 512 Cb -0.21 -1.24 0.19 0.00 0.03 0.00 0.00 46.19 44.95 1amu s LEU 512 CO 0.19 0.13 1.30 0.42 0.23 0.00 0.00 176.35 178.62 1amu s THR 513 N -1.52 1.98 0.46 5.49 -4.23 0.32 -4.75 115.64 113.39 1amu s THR 513 Ca 0.20 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.84 1amu s THR 513 Cb -0.09 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 71.00 1amu s THR 513 CO 0.10 0.00 2.04 0.77 -0.54 0.00 0.00 174.62 176.98 1amu h SER 514 N -1.62 0.08 -0.01 3.99 4.64 -2.01 -1.45 113.55 117.17 1amu h SER 514 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1amu h SER 514 Cb 1.25 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1amu h SER 514 CO 0.41 0.17 0.00 0.59 -0.87 0.00 0.00 176.83 177.13 1amu n ASN 515 N -4.40 0.36 0.00 4.97 3.02 -1.26 -4.82 115.26 113.13 1amu n ASN 515 Ca -0.02 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 1amu n ASN 515 Cb 0.18 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1amu n ASN 515 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1amu n GLY 516 N 0.99 0.56 3.96 7.41 0.00 -0.54 -4.96 105.19 112.60 1amu n GLY 516 Ca 0.20 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1amu n GLY 516 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1amu s LYS 517 N -1.13 3.33 0.15 1.61 1.02 -1.26 -4.63 119.74 118.84 1amu s LYS 517 Ca 0.00 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 54.84 1amu s LYS 517 Cb 0.00 -2.84 -0.10 0.00 -0.52 0.00 0.00 37.83 34.37 1amu s LYS 517 CO 0.00 0.37 1.65 -1.50 -0.92 0.00 0.00 175.35 174.96 1amu s ILE 518 N -2.03 2.58 -0.83 2.17 1.10 -1.26 -0.52 121.20 122.41 1amu s ILE 518 Ca 0.35 0.32 -0.17 0.00 -0.51 0.00 0.00 60.65 60.64 1amu s ILE 518 Cb -0.09 -3.20 0.15 0.00 0.15 0.00 0.00 42.46 39.47 1amu s ILE 518 CO 0.29 0.02 0.93 -0.62 -2.11 0.00 0.00 174.94 173.45 1amu s ASP 519 N 1.62 6.58 0.49 4.50 -1.08 0.14 -4.73 116.67 124.20 1amu s ASP 519 Ca 0.73 -2.12 0.19 0.00 -0.52 0.00 0.00 52.55 50.83 1amu s ASP 519 Cb -0.44 -2.32 1.23 0.00 -1.46 0.00 0.00 42.92 39.92 1amu s ASP 519 CO 0.32 -0.93 2.03 0.03 0.52 0.00 0.00 175.17 177.15 1amu h ARG 520 N 8.58 0.14 -0.15 4.34 3.08 -1.92 -0.92 114.38 127.53 1amu h ARG 520 Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1amu h ARG 520 Cb 1.04 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1amu h ARG 520 CO 0.99 0.09 0.00 0.36 -1.07 0.00 0.00 179.97 180.35 1amu n LYS 521 N -4.45 1.04 0.00 0.04 2.85 -1.26 -2.48 118.16 113.89 1amu n LYS 521 Ca 0.06 -0.05 0.03 0.00 -1.05 0.00 0.00 58.31 57.30 1amu n LYS 521 Cb 0.38 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.68 1amu n LYS 521 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1amu n GLN 522 N -0.39 2.25 -2.60 -1.58 6.02 -0.35 -4.98 117.38 115.75 1amu n GLN 522 Ca 0.00 -0.49 -0.43 0.00 -0.01 0.00 0.00 57.00 56.08 1amu n GLN 522 Cb 0.05 -0.96 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 1amu n GLN 522 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1amu s LEU 523 N -1.32 4.19 0.05 1.08 1.43 -1.04 -4.94 118.68 118.13 1amu s LEU 523 Ca 0.05 1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 54.39 1amu s LEU 523 Cb 0.05 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 1amu s LEU 523 CO 0.15 -0.59 1.69 -2.16 0.23 0.00 0.00 176.35 175.67 1amu s PRO 524 N 2.67 4.19 0.15 1.29 0.04 -1.26 -4.99 135.00 137.07 1amu s PRO 524 Ca 0.49 2.35 -0.30 0.00 0.04 0.00 0.00 61.00 63.58 1amu s PRO 524 Cb -0.19 -3.71 -0.07 0.00 0.04 0.00 0.00 34.50 30.58 1amu s PRO 524 CO 0.14 -0.78 1.03 -2.00 0.04 0.00 0.00 177.00 175.43 1amu s GLU 525 N 3.02 4.65 0.44 4.56 2.12 -1.26 -5.02 118.70 127.22 1amu s GLU 525 Ca 0.76 1.58 -0.24 0.00 0.36 0.00 0.00 54.97 57.43 1amu s GLU 525 Cb -0.39 -3.33 -0.08 0.00 0.26 0.00 0.00 34.13 30.59 1amu s GLU 525 CO 0.33 0.15 1.24 -1.25 -0.54 0.00 0.00 175.26 175.19 1amu s PRO 526 N -0.19 3.79 -1.01 4.30 0.04 -1.26 -4.98 135.00 135.70 1amu s PRO 526 Ca 0.48 1.97 -0.17 0.00 0.04 0.00 0.00 61.00 63.32 1amu s PRO 526 Cb -0.26 -2.55 0.14 0.00 0.04 0.00 0.00 34.50 31.87 1amu s PRO 526 CO 0.32 -0.58 1.21 -0.51 0.04 0.00 0.00 177.00 177.49 1amu s ASP 527 N -1.06 6.75 -1.10 6.66 1.11 -1.26 -4.96 116.67 122.81 1amu s ASP 527 Ca 0.61 -2.30 -0.20 0.00 0.18 0.00 0.00 52.55 50.85 1amu s ASP 527 Cb -0.34 -2.40 -0.06 0.00 1.07 0.00 0.00 42.92 41.19 1amu s ASP 527 CO 0.42 -0.98 1.98 0.18 1.18 0.00 0.00 175.17 177.94 1amu n LEU 528 N 6.33 4.71 -0.00 1.23 4.77 -1.26 -4.52 117.00 128.25 1amu n LEU 528 Ca 0.28 -3.41 0.01 0.00 -0.03 0.00 0.00 56.01 52.86 1amu n LEU 528 Cb 0.47 -1.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.09 1amu n LEU 528 CO 0.54 -0.21 -0.25 0.41 -1.33 0.00 0.00 177.39 176.55 1amu n THR 529 N 6.18 0.00 0.00 -5.08 -1.04 -1.26 -4.93 114.28 108.16 1amu n THR 529 Ca 0.49 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1amu n THR 529 Cb 0.42 0.74 0.00 0.00 -1.82 0.00 0.00 70.33 69.67 1amu n THR 529 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65