#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h02 h GLU 6 N 0.00 0.21 -0.97 -0.67 4.11 -2.04 0.75 114.58 115.97 3h02 h GLU 6 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3h02 h GLU 6 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3h02 h GLU 6 CO 0.00 0.14 0.00 0.25 0.07 0.00 0.00 179.01 179.47 3h02 n THR 7 N -5.15 0.07 0.00 -1.06 -2.24 -1.26 -0.44 114.28 104.21 3h02 n THR 7 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3h02 n THR 7 Cb 0.30 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3h02 n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h02 n LEU 9 N 0.66 0.00 -1.66 3.22 4.32 0.26 -1.24 117.00 122.56 3h02 n LEU 9 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 56.07 3h02 n LEU 9 Cb 0.06 0.00 0.37 0.00 -1.62 0.00 0.00 43.42 42.23 3h02 n LEU 9 CO 0.00 0.00 0.83 -1.22 -1.22 0.00 0.00 177.39 175.78 3h02 n TYR 10 N 0.00 1.74 -1.97 -1.77 4.01 0.42 -4.20 117.16 115.39 3h02 n TYR 10 Ca 0.00 -0.71 -0.36 0.00 -0.16 0.00 0.00 57.90 56.67 3h02 n TYR 10 Cb 0.00 -0.40 0.04 0.00 -0.31 0.00 0.00 39.34 38.67 3h02 n TYR 10 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h02 s ALA 11 N -2.48 2.53 0.99 -0.72 0.00 -0.38 -4.95 121.76 116.75 3h02 s ALA 11 Ca 0.52 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 53.41 3h02 s ALA 11 Cb 0.38 -3.47 0.14 0.00 0.00 0.00 0.00 23.12 20.17 3h02 s ALA 11 CO 0.18 -1.23 0.87 -0.35 0.00 0.00 0.00 175.76 175.22 3h02 n PRO 12 N -1.62 -0.86 -5.11 0.00 -0.04 -1.26 -5.00 135.00 121.11 3h02 n PRO 12 Ca 0.14 -0.20 -0.32 0.00 -0.04 0.00 0.00 63.50 63.08 3h02 n PRO 12 Cb 0.49 -2.17 -0.16 0.00 -0.04 0.00 0.00 33.50 31.62 3h02 n PRO 12 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h02 s VAL 13 N -2.51 2.34 -0.37 0.52 0.11 -1.26 -5.10 120.40 114.13 3h02 s VAL 13 Ca 0.64 -0.93 -0.11 0.00 -2.93 0.00 0.00 61.98 58.65 3h02 s VAL 13 Cb -0.22 -1.91 0.02 0.00 -1.53 0.00 0.00 36.38 32.74 3h02 s VAL 13 CO 0.62 0.56 0.21 -0.70 -3.33 0.00 0.00 175.10 172.45 3h02 s GLU 14 N 0.18 2.90 -0.34 1.54 2.56 -1.26 -5.07 118.70 119.20 3h02 s GLU 14 Ca -0.12 -1.03 -0.22 0.00 0.00 0.00 0.00 54.97 53.59 3h02 s GLU 14 Cb -0.16 -3.73 0.00 0.00 2.00 0.00 0.00 34.13 32.24 3h02 s GLU 14 CO 0.07 -0.67 0.75 -1.58 -0.56 0.00 0.00 175.26 173.26 3h02 s TRP 15 N 1.57 3.15 -0.17 5.30 0.52 -1.26 -4.26 118.94 123.79 3h02 s TRP 15 Ca 0.02 0.59 -0.20 0.00 0.02 0.00 0.00 56.10 56.54 3h02 s TRP 15 Cb -0.19 -3.27 -0.03 0.00 -1.15 0.00 0.00 33.47 28.83 3h02 s TRP 15 CO 0.07 -0.65 0.58 -1.01 0.02 0.00 0.00 176.95 175.96 3h02 s HIS 16 N 2.95 3.42 0.18 -1.98 3.76 0.12 -4.87 115.29 118.87 3h02 s HIS 16 Ca 0.30 0.90 -0.30 0.00 -0.15 0.00 0.00 55.06 55.81 3h02 s HIS 16 Cb -0.14 -2.72 -0.08 0.00 1.11 0.00 0.00 32.58 30.76 3h02 s HIS 16 CO 0.15 -0.07 1.17 0.34 -0.85 0.00 0.00 174.74 175.49 3h02 s ASP 17 N 1.04 7.13 -0.05 1.40 2.15 -1.26 -0.97 116.67 126.12 3h02 s ASP 17 Ca 0.28 2.19 0.16 0.00 0.43 0.00 0.00 52.55 55.61 3h02 s ASP 17 Cb -0.16 -2.60 0.30 0.00 -0.30 0.00 0.00 42.92 40.16 3h02 s ASP 17 CO 0.11 -0.34 1.13 0.00 -0.17 0.00 0.00 175.17 175.90 3h02 n SER 19 N -0.07 0.27 -4.67 0.00 7.64 -1.05 -4.60 113.62 111.14 3h02 n SER 19 Ca 0.07 -0.17 -0.47 0.00 1.01 0.00 0.00 58.87 59.32 3h02 n SER 19 Cb 0.91 -0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.89 3h02 n SER 19 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3h02 n GLU 20 N -1.24 2.07 0.00 1.43 4.07 -1.26 -1.43 120.64 124.28 3h02 n GLU 20 Ca 0.11 0.75 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 3h02 n GLU 20 Cb 0.30 -2.52 0.00 0.00 -0.06 0.00 0.00 31.44 29.15 3h02 n GLU 20 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3h02 n GLY 21 N 3.54 3.40 3.84 8.31 0.00 -1.26 -5.06 105.19 117.96 3h02 n GLY 21 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3h02 n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h02 s TYR 22 N -2.81 3.58 -0.16 1.61 2.02 -0.51 -5.02 117.35 116.05 3h02 s TYR 22 Ca 0.00 1.13 -0.01 0.00 -0.37 0.00 0.00 57.07 57.82 3h02 s TYR 22 Cb 0.00 -2.43 -0.10 0.00 -0.40 0.00 0.00 41.96 39.03 3h02 s TYR 22 CO 0.00 0.36 -0.16 2.41 -1.57 0.00 0.00 175.55 176.59 3h02 n THR 23 N 0.58 0.93 1.01 -0.71 -1.04 -1.26 -4.75 114.28 109.04 3h02 n THR 23 Ca -0.03 -0.32 0.11 0.00 -2.04 0.00 0.00 64.05 61.77 3h02 n THR 23 Cb 0.52 -1.25 0.02 0.00 -1.82 0.00 0.00 70.33 67.79 3h02 n THR 23 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3h02 n ASP 24 N -3.19 2.06 -4.13 8.00 9.92 -1.26 -4.98 116.55 122.96 3h02 n ASP 24 Ca -0.30 -1.53 -0.09 0.00 -0.53 0.00 0.00 54.79 52.35 3h02 n ASP 24 Cb 0.79 0.44 -0.10 0.00 -0.64 0.00 0.00 41.12 41.60 3h02 n ASP 24 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3h02 s ILE 25 N -2.45 0.25 0.06 0.53 -4.36 -1.26 -0.85 121.20 113.12 3h02 s ILE 25 Ca 0.19 -1.87 0.05 0.00 -0.26 0.00 0.00 60.65 58.76 3h02 s ILE 25 Cb 0.18 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.10 3h02 s ILE 25 CO 0.55 -0.77 -0.04 -0.13 0.24 0.00 0.00 174.94 174.80 3h02 s ARG 26 N -3.96 2.48 -0.06 0.37 0.52 -0.34 -4.79 118.95 113.18 3h02 s ARG 26 Ca 0.14 -0.83 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 3h02 s ARG 26 Cb 0.07 -2.49 0.03 0.00 0.52 0.00 0.00 34.95 33.08 3h02 s ARG 26 CO -0.05 0.56 -0.01 -0.47 0.02 0.00 0.00 175.30 175.35 3h02 s TYR 27 N -1.19 0.62 0.03 -0.53 5.04 -1.26 -1.29 117.35 118.77 3h02 s TYR 27 Ca 0.22 -0.14 -0.01 0.00 -2.44 0.00 0.00 57.07 54.70 3h02 s TYR 27 Cb -0.11 -0.69 -0.03 0.00 0.35 0.00 0.00 41.96 41.47 3h02 s TYR 27 CO 0.14 -0.26 -0.02 -1.21 -1.34 0.00 0.00 175.55 172.86 3h02 s GLU 28 N 1.52 0.46 0.01 4.97 2.02 -0.40 0.36 118.70 127.64 3h02 s GLU 28 Ca -0.02 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.08 3h02 s GLU 28 Cb -0.13 0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.25 3h02 s GLU 28 CO -0.03 -0.08 -0.03 0.15 0.02 0.00 0.00 175.26 175.29 3h02 s LYS 29 N -2.64 0.23 0.25 1.61 1.02 -0.14 0.24 119.74 120.31 3h02 s LYS 29 Ca -0.05 -0.31 0.06 0.00 0.02 0.00 0.00 55.97 55.69 3h02 s LYS 29 Cb -0.01 -0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.19 3h02 s LYS 29 CO -0.05 0.01 0.32 -1.54 -0.92 0.00 0.00 175.35 173.17 3h02 s SER 30 N -0.65 6.08 0.40 2.83 1.04 -0.07 0.16 113.70 123.49 3h02 s SER 30 Ca -0.06 -0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.43 3h02 s SER 30 Cb -0.05 -1.71 0.83 0.00 0.10 0.00 0.00 66.02 65.20 3h02 s SER 30 CO -0.00 -0.07 1.96 0.74 0.98 0.00 0.00 173.24 176.85 3h02 h THR 31 N 1.25 1.15 -0.12 2.02 2.02 -1.90 -2.84 112.91 114.49 3h02 h THR 31 Ca -0.51 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.08 3h02 h THR 31 Cb 1.23 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 3h02 h THR 31 CO 0.61 0.19 0.00 -0.90 0.37 0.00 0.00 175.52 175.79 3h02 n ASP 32 N -4.34 1.19 0.00 4.18 3.85 -1.26 -4.92 116.55 115.24 3h02 n ASP 32 Ca -0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 54.79 52.45 3h02 n ASP 32 Cb 0.21 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 3h02 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h02 n GLY 33 N 1.03 1.47 3.60 6.12 0.00 -1.07 -4.87 105.19 111.47 3h02 n GLY 33 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3h02 n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h02 s ILE 34 N -2.00 4.49 -0.11 -0.61 1.01 -1.26 -0.24 121.20 122.47 3h02 s ILE 34 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 3h02 s ILE 34 Cb 0.00 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 3h02 s ILE 34 CO 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 174.94 175.36 3h02 s ALA 35 N 0.27 2.96 -0.10 9.38 0.00 -0.49 -0.89 121.76 132.88 3h02 s ALA 35 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.14 3h02 s ALA 35 Cb -0.13 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.63 3h02 s ALA 35 CO 0.01 0.39 -0.19 0.21 0.00 0.00 0.00 175.76 176.18 3h02 s LYS 36 N -0.19 2.57 -0.22 0.00 2.20 0.14 0.29 119.74 124.53 3h02 s LYS 36 Ca 0.03 -0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 54.89 3h02 s LYS 36 Cb -0.13 -2.05 -0.02 0.00 -1.51 0.00 0.00 37.83 34.12 3h02 s LYS 36 CO 0.03 0.05 -0.01 0.42 -0.36 0.00 0.00 175.35 175.47 3h02 s ILE 37 N 0.67 3.71 -0.18 5.43 1.01 0.57 -1.28 121.20 131.14 3h02 s ILE 37 Ca -0.12 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3h02 s ILE 37 Cb -0.16 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.62 3h02 s ILE 37 CO 0.03 0.41 -0.19 -0.89 0.00 0.00 0.00 174.94 174.30 3h02 s THR 38 N 1.39 2.20 -0.09 2.92 2.01 -0.42 -1.26 115.64 122.40 3h02 s THR 38 Ca 0.05 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.85 3h02 s THR 38 Cb -0.15 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 3h02 s THR 38 CO -0.00 0.53 1.47 -0.63 -0.69 0.00 0.00 174.62 175.30 3h02 s ILE 39 N 1.22 3.86 -0.77 1.82 1.01 0.42 -1.20 121.20 127.56 3h02 s ILE 39 Ca 0.03 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.78 3h02 s ILE 39 Cb -0.14 -3.70 0.29 0.00 0.01 0.00 0.00 42.46 38.93 3h02 s ILE 39 CO -0.10 -0.08 1.09 -3.20 0.00 0.00 0.00 174.94 172.65 3h02 n ASN 40 N 6.65 4.96 -2.96 3.58 5.15 -0.03 0.97 115.26 133.59 3h02 n ASN 40 Ca 0.15 -3.53 -0.14 0.00 -0.60 0.00 0.00 54.58 50.46 3h02 n ASN 40 Cb 0.44 -0.83 -0.00 0.00 -0.53 0.00 0.00 39.78 38.85 3h02 n ASN 40 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3h02 n ARG 41 N 0.56 1.06 0.30 1.20 1.74 -1.26 -4.74 116.66 115.53 3h02 n ARG 41 Ca 0.31 -3.33 0.17 0.00 -0.77 0.00 0.00 57.85 54.24 3h02 n ARG 41 Cb 0.37 -1.51 0.98 0.00 -1.02 0.00 0.00 32.46 31.28 3h02 n ARG 41 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3h02 h PRO 42 N 3.00 0.00 0.00 5.56 0.13 -1.85 -0.30 132.00 138.53 3h02 h PRO 42 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3h02 h PRO 42 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3h02 h PRO 42 CO 0.50 0.02 0.03 1.96 -0.23 0.00 0.00 178.00 180.29 3h02 h GLN 43 N 0.00 0.00 -0.64 0.86 4.20 -1.97 -2.25 115.11 115.31 3h02 h GLN 43 Ca -0.00 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.28 3h02 h GLN 43 Cb 0.09 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 27.45 3h02 h GLN 43 CO 0.00 0.00 -0.94 0.28 -0.67 0.00 0.00 178.83 177.51 3h02 n VAL 44 N -2.85 2.04 -3.04 -0.54 0.31 -0.24 -4.95 118.33 109.06 3h02 n VAL 44 Ca -0.03 -3.73 -0.17 0.00 -0.01 0.00 0.00 64.34 60.41 3h02 n VAL 44 Cb 0.09 -0.20 -0.01 0.00 -0.91 0.00 0.00 33.84 32.81 3h02 n VAL 44 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3h02 n ARG 45 N -0.66 -2.75 -2.92 5.55 1.74 -0.85 -1.42 116.66 115.34 3h02 n ARG 45 Ca 0.30 0.35 -0.21 0.00 -0.77 0.00 0.00 57.85 57.52 3h02 n ARG 45 Cb 0.90 -4.97 0.01 0.00 -1.02 0.00 0.00 32.46 27.39 3h02 n ARG 45 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3h02 n ASN 46 N -1.99 -5.29 -4.75 0.55 3.02 -0.49 -1.29 115.26 105.02 3h02 n ASN 46 Ca -0.03 -0.20 -0.33 0.00 -0.03 0.00 0.00 54.58 53.98 3h02 n ASN 46 Cb 0.54 -4.33 0.07 0.00 -0.61 0.00 0.00 39.78 35.44 3h02 n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h02 s ALA 47 N -3.03 2.31 0.20 5.41 0.00 -0.51 -4.05 121.76 122.09 3h02 s ALA 47 Ca 0.24 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.93 3h02 s ALA 47 Cb -0.11 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3h02 s ALA 47 CO 0.29 -1.54 0.19 -0.59 0.00 0.00 0.00 175.76 174.11 3h02 s PHE 48 N -2.20 3.19 0.36 0.00 -0.71 0.14 -4.89 117.98 113.86 3h02 s PHE 48 Ca 0.70 -0.04 0.05 0.00 -1.04 0.00 0.00 56.93 56.59 3h02 s PHE 48 Cb -0.24 -1.49 -0.07 0.00 -1.21 0.00 0.00 43.02 40.01 3h02 s PHE 48 CO 0.43 0.51 0.05 -0.98 -1.34 0.00 0.00 175.22 173.89 3h02 s ARG 49 N -3.47 1.76 0.25 1.99 1.70 -1.26 -4.35 118.95 115.58 3h02 s ARG 49 Ca 0.32 -1.99 -0.03 0.00 -0.47 0.00 0.00 55.73 53.56 3h02 s ARG 49 Cb -0.09 -1.08 0.52 0.00 -0.57 0.00 0.00 34.95 33.73 3h02 s ARG 49 CO 0.25 -0.17 1.69 -1.35 -1.08 0.00 0.00 175.30 174.64 3h02 h PRO 50 N 1.99 0.28 -0.94 3.89 0.11 -2.00 -0.55 132.00 134.79 3h02 h PRO 50 Ca -0.41 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.71 3h02 h PRO 50 Cb 1.25 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3h02 h PRO 50 CO 0.72 0.19 0.62 1.25 -0.21 0.00 0.00 178.00 180.57 3h02 h LEU 51 N 0.29 1.04 -1.00 2.35 5.85 -1.99 -0.84 115.31 121.02 3h02 h LEU 51 Ca 0.45 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 3h02 h LEU 51 Cb 0.78 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3h02 h LEU 51 CO -0.52 0.72 0.45 0.74 -0.34 0.00 0.00 178.44 179.49 3h02 h THR 52 N 1.21 1.24 -0.15 1.05 2.02 -1.51 -0.11 112.91 116.66 3h02 h THR 52 Ca 0.37 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 3h02 h THR 52 Cb -0.04 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3h02 h THR 52 CO -0.11 0.27 -0.11 0.58 0.37 0.00 0.00 175.52 176.53 3h02 h VAL 53 N 1.16 1.33 -0.81 3.16 2.07 -0.88 -2.95 116.25 119.33 3h02 h VAL 53 Ca 0.29 -1.21 0.11 0.00 0.82 0.00 0.00 66.70 66.71 3h02 h VAL 53 Cb 0.04 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 3h02 h VAL 53 CO -0.05 0.36 0.44 0.50 0.02 0.00 0.00 177.57 178.84 3h02 h LYS 54 N -0.01 0.68 -1.35 1.57 3.64 -0.79 -1.45 116.57 118.86 3h02 h LYS 54 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3h02 h LYS 54 Cb 0.61 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3h02 h LYS 54 CO 0.03 0.45 0.00 0.39 -2.27 0.00 0.00 179.45 178.05 3h02 n GLU 55 N -4.80 0.36 0.00 1.90 1.02 -0.09 -2.16 120.64 116.87 3h02 n GLU 55 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3h02 n GLU 55 Cb 0.32 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3h02 n GLU 55 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3h02 n ILE 57 N 0.71 0.00 -0.01 -3.67 5.41 -0.55 -0.75 119.36 120.50 3h02 n ILE 57 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 3h02 n ILE 57 Cb 0.16 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.03 3h02 n ILE 57 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3h02 h GLN 58 N 0.00 0.14 -0.71 0.38 4.20 -1.70 -0.38 115.11 117.04 3h02 h GLN 58 Ca 0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3h02 h GLN 58 Cb 0.00 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3h02 h GLN 58 CO 0.00 0.17 0.33 0.00 -0.67 0.00 0.00 178.83 178.66 3h02 h ALA 59 N 0.96 0.92 -0.31 3.87 0.00 -1.23 -1.41 119.26 122.07 3h02 h ALA 59 Ca 0.04 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3h02 h ALA 59 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3h02 h ALA 59 CO -0.01 0.50 -0.32 1.25 0.00 0.00 0.00 179.25 180.67 3h02 h LEU 60 N 1.00 0.69 -0.86 0.00 5.85 -1.78 -1.31 115.31 118.91 3h02 h LEU 60 Ca 0.24 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3h02 h LEU 60 Cb 0.14 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3h02 h LEU 60 CO -0.03 0.96 0.39 0.00 -0.34 0.00 0.00 178.44 179.42 3h02 h ALA 61 N 1.08 1.10 0.03 1.25 0.00 -0.73 -0.69 119.26 121.29 3h02 h ALA 61 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h02 h ALA 61 Cb 0.83 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h02 h ALA 61 CO 0.07 0.67 -0.02 0.22 0.00 0.00 0.00 179.25 180.19 3h02 h ASP 62 N 1.20 -0.05 -0.61 0.00 3.58 -0.75 -2.19 116.42 117.60 3h02 h ASP 62 Ca 0.29 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.80 3h02 h ASP 62 Cb 0.14 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.16 3h02 h ASP 62 CO -0.03 -0.03 0.32 0.00 -2.88 0.00 0.00 179.24 176.61 3h02 h ALA 63 N 0.92 0.80 -0.75 -0.78 0.00 -0.95 -0.93 119.26 117.56 3h02 h ALA 63 Ca -0.00 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3h02 h ALA 63 Cb 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3h02 h ALA 63 CO 0.00 -0.02 0.45 -0.09 0.00 0.00 0.00 179.25 179.59 3h02 h ARG 64 N 0.60 0.81 -0.00 0.00 2.43 -0.89 -2.46 114.38 114.86 3h02 h ARG 64 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3h02 h ARG 64 Cb 0.19 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3h02 h ARG 64 CO -0.18 0.53 -0.24 0.66 -1.51 0.00 0.00 179.97 179.23 3h02 n TYR 65 N -4.70 0.00 -2.86 2.20 4.01 -0.85 -4.74 117.16 110.23 3h02 n TYR 65 Ca 0.10 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 3h02 n TYR 65 Cb 0.16 -0.21 -0.04 0.00 -0.31 0.00 0.00 39.34 38.94 3h02 n TYR 65 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3h02 s ASP 66 N -2.66 6.39 0.09 7.72 -1.08 -0.40 -4.91 116.67 121.82 3h02 s ASP 66 Ca 0.22 -0.20 0.13 0.00 -0.52 0.00 0.00 52.55 52.17 3h02 s ASP 66 Cb 0.19 -2.43 0.57 0.00 -1.46 0.00 0.00 42.92 39.79 3h02 s ASP 66 CO 0.55 -1.13 1.39 -0.90 0.52 0.00 0.00 175.17 175.60 3h02 n ASP 67 N 7.26 0.20 0.13 -0.34 3.85 -1.26 -1.05 116.55 125.34 3h02 n ASP 67 Ca 0.03 0.57 0.10 0.00 -0.71 0.00 0.00 54.79 54.78 3h02 n ASP 67 Cb 0.48 -0.61 0.03 0.00 -1.35 0.00 0.00 41.12 39.67 3h02 n ASP 67 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.20 175.06 3h02 h ASN 68 N 0.00 0.00 -3.34 -1.12 -1.24 -1.93 -3.45 115.58 104.50 3h02 h ASN 68 Ca 0.00 0.00 -0.56 0.00 0.71 0.00 0.00 56.30 56.45 3h02 h ASN 68 Cb 0.15 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.15 3h02 h ASN 68 CO 0.00 0.06 0.30 -0.69 -1.29 0.00 0.00 177.43 175.81 3h02 s VAL 69 N -3.28 4.93 -0.04 2.57 1.01 -0.21 -4.06 120.40 121.31 3h02 s VAL 69 Ca 0.01 1.67 0.07 0.00 0.00 0.00 0.00 61.98 63.73 3h02 s VAL 69 Cb 0.08 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.21 3h02 s VAL 69 CO 0.76 0.12 0.10 0.61 0.00 0.00 0.00 175.10 176.69 3h02 n GLY 70 N 3.23 -0.37 3.01 4.51 0.00 0.66 -4.88 105.19 111.35 3h02 n GLY 70 Ca 0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3h02 n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h02 s VAL 71 N -2.37 0.03 -0.08 1.61 -7.23 -0.99 -4.02 120.40 107.35 3h02 s VAL 71 Ca -0.03 -0.24 0.01 0.00 -1.81 0.00 0.00 61.98 59.92 3h02 s VAL 71 Cb 0.04 -0.23 -0.02 0.00 0.56 0.00 0.00 36.38 36.73 3h02 s VAL 71 CO 0.32 -0.13 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.24 3h02 s ILE 72 N -0.39 3.30 -0.10 -0.62 1.09 -0.30 -1.40 121.20 122.79 3h02 s ILE 72 Ca -0.05 -0.62 -0.01 0.00 -1.10 0.00 0.00 60.65 58.88 3h02 s ILE 72 Cb -0.03 -2.34 -0.03 0.00 -1.06 0.00 0.00 42.46 39.00 3h02 s ILE 72 CO 0.00 0.57 -0.07 -0.63 -0.10 0.00 0.00 174.94 174.72 3h02 s ILE 73 N -0.42 3.67 -0.12 2.92 1.01 0.14 -0.43 121.20 127.98 3h02 s ILE 73 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3h02 s ILE 73 Cb -0.12 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 3h02 s ILE 73 CO 0.02 0.56 -0.13 -0.22 0.00 0.00 0.00 174.94 175.17 3h02 s LEU 74 N -0.34 2.74 0.31 2.97 2.96 -0.26 -0.31 118.68 126.73 3h02 s LEU 74 Ca 0.05 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.51 3h02 s LEU 74 Cb -0.12 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 44.98 3h02 s LEU 74 CO 0.02 0.19 0.64 0.28 -1.32 0.00 0.00 176.35 176.16 3h02 s THR 75 N 0.20 0.00 0.09 3.68 -1.32 -0.39 -4.42 115.64 113.48 3h02 s THR 75 Ca -0.08 -1.20 0.07 0.00 -1.21 0.00 0.00 61.69 59.28 3h02 s THR 75 Cb -0.15 -2.37 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 3h02 s THR 75 CO 0.05 0.00 -0.14 -0.83 -2.21 0.00 0.00 174.62 171.49 3h02 s GLY 76 N -3.03 1.70 0.29 6.08 0.00 -1.24 -0.44 107.32 110.69 3h02 s GLY 76 Ca 0.18 -1.25 -0.29 0.00 0.00 0.00 0.00 44.72 43.35 3h02 s GLY 76 CO 0.10 -1.20 1.46 1.85 0.00 0.00 0.00 173.10 175.32 3h02 s GLU 77 N -1.94 4.22 0.66 2.90 2.56 0.27 -4.76 118.70 122.61 3h02 s GLU 77 Ca 0.18 2.40 0.00 0.00 0.00 0.00 0.00 54.97 57.55 3h02 s GLU 77 Cb -0.11 -3.06 0.00 0.00 2.00 0.00 0.00 34.13 32.96 3h02 s GLU 77 CO 0.10 -0.45 0.00 0.41 -0.56 0.00 0.00 175.26 174.76 3h02 n GLY 78 N 1.68 -1.94 0.13 -1.50 0.00 -1.26 -4.56 105.19 97.75 3h02 n GLY 78 Ca 0.05 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.44 3h02 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h02 n ASP 79 N 0.61 1.00 0.05 1.61 8.00 -1.26 -4.66 116.55 121.89 3h02 n ASP 79 Ca 0.00 -1.00 0.11 0.00 0.71 0.00 0.00 54.79 54.61 3h02 n ASP 79 Cb 0.00 0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 41.43 3h02 n ASP 79 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3h02 n LYS 80 N -0.20 0.47 -3.66 -1.24 4.81 -1.26 -3.47 118.16 113.61 3h02 n LYS 80 Ca 0.02 0.01 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 3h02 n LYS 80 Cb 0.11 -1.66 -0.08 0.00 0.02 0.00 0.00 35.03 33.41 3h02 n LYS 80 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3h02 s ALA 81 N -3.31 -1.55 -0.16 3.14 0.00 -1.22 -2.15 121.76 116.50 3h02 s ALA 81 Ca 0.00 1.80 -0.17 0.00 0.00 0.00 0.00 51.96 53.59 3h02 s ALA 81 Cb 0.13 -1.05 -0.14 0.00 0.00 0.00 0.00 23.12 22.05 3h02 s ALA 81 CO 0.81 -0.30 0.21 0.35 0.00 0.00 0.00 175.76 176.83 3h02 h PHE 82 N 5.36 0.00 -0.43 0.00 3.57 -0.41 -3.38 116.94 121.65 3h02 h PHE 82 Ca -0.29 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.44 3h02 h PHE 82 Cb 1.17 0.00 -0.24 0.00 2.79 0.00 0.00 35.95 39.67 3h02 h PHE 82 CO 0.36 0.84 0.33 0.00 -2.23 0.00 0.00 178.31 177.61 3h02 n ALA 84 N 4.98 2.68 0.00 0.00 0.00 -0.41 -1.35 120.51 126.40 3h02 n ALA 84 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3h02 n ALA 84 Cb 0.54 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3h02 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h02 n GLY 85 N 1.19 0.82 0.00 0.00 0.00 -1.09 -4.48 105.19 101.64 3h02 n GLY 85 Ca 0.18 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3h02 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h02 n GLY 86 N 0.00 2.51 2.47 -0.02 0.00 -1.26 0.26 105.19 109.15 3h02 n GLY 86 Ca 0.00 -1.87 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 3h02 n GLY 86 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3h02 n LEU 106 N 0.00 1.91 0.00 0.99 -0.00 -1.26 -4.38 117.00 114.26 3h02 n LEU 106 Ca 0.00 -4.70 0.07 0.00 -0.00 0.00 0.00 56.01 51.38 3h02 n LEU 106 Cb 0.00 0.33 0.34 0.00 -0.00 0.00 0.00 43.42 44.10 3h02 n LEU 106 CO 0.00 2.06 0.69 -3.20 -0.00 0.00 0.00 177.39 176.94 3h02 n ASN 107 N 0.02 0.00 0.28 1.45 5.15 -1.26 -2.63 115.26 118.27 3h02 n ASN 107 Ca 0.22 0.16 0.12 0.00 -0.60 0.00 0.00 54.58 54.48 3h02 n ASN 107 Cb 0.68 -0.33 0.79 0.00 -0.53 0.00 0.00 39.78 40.39 3h02 n ASN 107 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3h02 h VAL 108 N 0.00 0.75 -0.60 3.44 3.04 -1.96 0.82 116.25 121.73 3h02 h VAL 108 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 3h02 h VAL 108 Cb 0.15 1.01 -0.03 0.00 -2.01 0.00 0.00 31.29 30.42 3h02 h VAL 108 CO 0.00 0.01 0.39 -0.07 -1.01 0.00 0.00 177.57 176.89 3h02 h LEU 109 N 0.00 0.70 -0.24 3.16 4.07 -1.94 0.56 115.31 121.61 3h02 h LEU 109 Ca -0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 3h02 h LEU 109 Cb 0.01 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 3h02 h LEU 109 CO 0.00 0.52 0.05 0.44 -1.08 0.00 0.00 178.44 178.37 3h02 h ASP 110 N 0.82 0.37 -0.66 -0.43 3.32 -1.08 -2.46 116.42 116.31 3h02 h ASP 110 Ca 0.22 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3h02 h ASP 110 Cb -0.08 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3h02 h ASP 110 CO -0.05 0.51 0.43 0.15 -1.72 0.00 0.00 179.24 178.57 3h02 h PHE 111 N 0.21 0.84 -0.29 4.55 3.57 -1.23 -0.30 116.94 124.29 3h02 h PHE 111 Ca 0.07 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.63 3h02 h PHE 111 Cb 0.29 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3h02 h PHE 111 CO 0.01 0.54 0.03 1.96 -2.23 0.00 0.00 178.31 178.62 3h02 h GLN 112 N 0.90 0.12 -0.91 1.11 4.20 -0.77 -0.47 115.11 119.28 3h02 h GLN 112 Ca 0.24 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.98 3h02 h GLN 112 Cb -0.09 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 3h02 h GLN 112 CO -0.05 0.08 0.59 0.00 -0.67 0.00 0.00 178.83 178.78 3h02 h ARG 113 N 0.12 1.12 -0.71 1.46 3.08 -0.93 -1.78 114.38 116.75 3h02 h ARG 113 Ca 0.14 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3h02 h ARG 113 Cb 0.16 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3h02 h ARG 113 CO -0.21 0.74 0.21 0.37 -1.07 0.00 0.00 179.97 180.02 3h02 h GLN 114 N 1.16 1.10 -0.34 0.04 4.15 -0.26 0.27 115.11 121.23 3h02 h GLN 114 Ca 0.36 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 3h02 h GLN 114 Cb -0.01 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 3h02 h GLN 114 CO -0.11 0.95 0.07 0.82 -1.93 0.00 0.00 178.83 178.62 3h02 h ILE 115 N 1.06 1.23 -0.25 2.39 2.04 -0.65 -2.40 117.51 120.92 3h02 h ILE 115 Ca 0.23 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.33 3h02 h ILE 115 Cb 0.31 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3h02 h ILE 115 CO -0.01 0.26 0.08 -0.09 0.00 0.00 0.00 178.15 178.40 3h02 h ARG 116 N 0.39 0.18 -0.01 2.37 9.65 -0.88 -2.94 114.38 123.15 3h02 h ARG 116 Ca 0.10 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3h02 h ARG 116 Cb 0.32 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 3h02 h ARG 116 CO 0.00 0.12 -0.10 0.25 2.80 0.00 0.00 179.97 183.04 3h02 n THR 117 N -5.04 0.00 -1.82 0.20 -2.24 0.04 -4.89 114.28 100.53 3h02 n THR 117 Ca -0.02 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 3h02 n THR 117 Cb 0.09 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 3h02 n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h02 n PRO 119 N 5.50 0.84 -4.69 0.00 -0.04 -1.26 -4.69 135.00 130.67 3h02 n PRO 119 Ca 0.17 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.34 3h02 n PRO 119 Cb 0.39 -1.17 -0.14 0.00 -0.04 0.00 0.00 33.50 32.54 3h02 n PRO 119 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3h02 s LYS 120 N -2.00 1.60 0.40 0.54 1.02 -1.26 -4.04 119.74 116.00 3h02 s LYS 120 Ca 0.14 -1.18 -0.27 0.00 0.02 0.00 0.00 55.97 54.69 3h02 s LYS 120 Cb 0.06 -1.88 -0.09 0.00 -0.52 0.00 0.00 37.83 35.40 3h02 s LYS 120 CO 0.11 0.47 1.37 -2.14 -0.92 0.00 0.00 175.35 174.23 3h02 s PRO 121 N -1.53 3.98 -0.14 -1.68 0.02 -1.26 -4.84 135.00 129.55 3h02 s PRO 121 Ca 0.12 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.46 3h02 s PRO 121 Cb -0.10 -2.81 0.01 0.00 0.02 0.00 0.00 34.50 31.61 3h02 s PRO 121 CO 0.03 -0.54 -0.21 0.08 -0.33 0.00 0.00 177.00 176.04 3h02 s VAL 122 N -1.20 2.18 -0.17 3.83 1.01 -1.26 -1.14 120.40 123.64 3h02 s VAL 122 Ca 0.56 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 3h02 s VAL 122 Cb -0.41 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3h02 s VAL 122 CO 0.54 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 175.41 3h02 s VAL 123 N 0.77 3.27 0.00 2.92 1.01 0.43 -0.78 120.40 128.03 3h02 s VAL 123 Ca -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3h02 s VAL 123 Cb -0.16 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3h02 s VAL 123 CO -0.01 0.48 0.00 0.00 0.00 0.00 0.00 175.10 175.58 3h02 n ALA 124 N 4.02 0.00 0.00 5.51 0.00 0.14 -1.10 120.51 129.08 3h02 n ALA 124 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3h02 n ALA 124 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3h02 n ALA 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h02 n VAL 126 N -1.34 0.00 -5.05 0.00 0.31 -0.34 -0.74 118.33 111.17 3h02 n VAL 126 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 3h02 n VAL 126 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 3h02 n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h02 s ALA 127 N 0.00 2.41 0.00 3.52 0.00 -1.26 -0.74 121.76 125.68 3h02 s ALA 127 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3h02 s ALA 127 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3h02 s ALA 127 CO 0.00 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.59 3h02 n GLY 128 N 2.90 1.15 3.69 0.00 0.00 -1.22 -2.23 105.19 109.47 3h02 n GLY 128 Ca -0.17 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 3h02 n GLY 128 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h02 s TYR 129 N 0.00 2.87 -0.42 1.61 1.51 -0.91 -1.20 117.35 120.81 3h02 s TYR 129 Ca 0.00 0.78 0.02 0.00 -1.01 0.00 0.00 57.07 56.86 3h02 s TYR 129 Cb 0.00 -3.71 0.13 0.00 -0.11 0.00 0.00 41.96 38.27 3h02 s TYR 129 CO 0.00 -2.62 0.20 0.45 -1.11 0.00 0.00 175.55 172.47 3h02 s SER 130 N 1.80 3.85 0.07 2.29 0.15 0.24 -0.65 113.70 121.44 3h02 s SER 130 Ca 0.65 -2.46 0.04 0.00 0.70 0.00 0.00 55.95 54.89 3h02 s SER 130 Cb -0.34 -1.10 -0.03 0.00 -1.71 0.00 0.00 66.02 62.85 3h02 s SER 130 CO 0.28 -0.30 -0.12 -0.63 1.20 0.00 0.00 173.24 173.68 3h02 s ILE 131 N 0.55 0.93 0.00 6.45 1.01 -0.46 -3.00 121.20 126.69 3h02 s ILE 131 Ca 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.50 3h02 s ILE 131 Cb -0.23 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.23 3h02 s ILE 131 CO -0.04 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.18 3h02 n GLY 132 N 1.19 3.75 0.29 6.18 0.00 -0.80 -0.67 105.19 115.12 3h02 n GLY 132 Ca -0.21 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3h02 n GLY 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h02 h GLY 133 N 0.00 0.00 1.84 -0.02 0.00 -1.88 -0.42 103.07 102.59 3h02 h GLY 133 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3h02 h GLY 133 CO 0.00 0.00 -0.42 -1.33 0.00 0.00 0.00 176.54 174.79 3h02 h GLY 134 N 0.00 0.20 1.22 4.60 0.00 -1.08 -0.80 103.07 107.22 3h02 h GLY 134 Ca 0.02 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 46.93 3h02 h GLY 134 CO -0.00 0.17 -0.80 0.84 0.00 0.00 0.00 176.54 176.76 3h02 h HIS 135 N 0.15 1.03 -0.42 5.60 6.17 -0.92 -2.96 115.15 123.80 3h02 h HIS 135 Ca 0.01 -0.46 -0.06 0.00 0.71 0.00 0.00 60.37 60.57 3h02 h HIS 135 Cb 0.82 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 30.57 3h02 h HIS 135 CO 0.01 1.29 0.01 0.28 0.71 0.00 0.00 177.93 180.23 3h02 h VAL 136 N 0.51 1.22 -0.59 5.26 2.07 -1.17 -2.80 116.25 120.75 3h02 h VAL 136 Ca -0.06 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.60 3h02 h VAL 136 Cb 1.42 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3h02 h VAL 136 CO 0.16 0.31 0.35 -0.07 0.02 0.00 0.00 177.57 178.35 3h02 h LEU 137 N 0.64 0.56 -8.13 2.57 3.38 -1.06 -3.43 115.31 109.84 3h02 h LEU 137 Ca 0.13 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.86 3h02 h LEU 137 Cb 0.39 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3h02 h LEU 137 CO 0.01 0.39 0.71 -1.38 0.09 0.00 0.00 178.44 178.26 3h02 s HIS 138 N -6.13 1.73 0.00 1.13 -3.43 -1.06 -5.01 115.29 102.52 3h02 s HIS 138 Ca -0.13 0.89 0.00 0.00 -0.80 0.00 0.00 55.06 55.02 3h02 s HIS 138 Cb 0.14 -3.89 0.00 0.00 -1.43 0.00 0.00 32.58 27.40 3h02 s HIS 138 CO 0.75 -1.41 0.00 0.00 -2.00 0.00 0.00 174.74 172.08 3h02 h ASP 142 N 0.00 0.91 -4.43 0.00 3.32 -1.34 -3.44 116.42 111.44 3h02 h ASP 142 Ca 0.00 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.77 3h02 h ASP 142 Cb 0.00 -0.21 -0.16 0.00 0.22 0.00 0.00 39.33 39.18 3h02 h ASP 142 CO 0.00 0.64 -0.71 -0.76 -1.72 0.00 0.00 179.24 176.69 3h02 s LEU 143 N -10.15 2.48 -0.07 1.55 1.43 -1.14 -5.05 118.68 107.73 3h02 s LEU 143 Ca -0.13 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.02 3h02 s LEU 143 Cb 0.16 -0.18 0.03 0.00 0.03 0.00 0.00 46.19 46.23 3h02 s LEU 143 CO 0.79 -0.39 -0.02 -0.89 0.23 0.00 0.00 176.35 176.08 3h02 s THR 144 N -3.23 0.47 -0.26 5.49 2.01 -1.26 0.25 115.64 119.11 3h02 s THR 144 Ca 0.11 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 3h02 s THR 144 Cb 0.02 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 3h02 s THR 144 CO -0.02 0.26 0.07 -0.63 -0.69 0.00 0.00 174.62 173.61 3h02 s ILE 145 N 1.72 4.19 -0.01 1.82 -1.09 0.08 -1.02 121.20 126.88 3h02 s ILE 145 Ca 0.02 -0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 3h02 s ILE 145 Cb -0.13 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 3h02 s ILE 145 CO -0.04 0.28 -0.01 0.00 -1.23 0.00 0.00 174.94 173.94 3h02 s ALA 146 N 1.58 3.24 0.52 9.38 0.00 -0.62 -1.19 121.76 134.66 3h02 s ALA 146 Ca 0.06 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 3h02 s ALA 146 Cb -0.16 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 3h02 s ALA 146 CO 0.03 0.63 0.83 0.00 0.00 0.00 0.00 175.76 177.25 3h02 s ALA 147 N -1.04 3.36 0.59 0.00 0.00 0.08 -0.86 121.76 123.89 3h02 s ALA 147 Ca 0.18 -0.53 0.38 0.00 0.00 0.00 0.00 51.96 51.99 3h02 s ALA 147 Cb -0.11 -2.62 2.11 0.00 0.00 0.00 0.00 23.12 22.49 3h02 s ALA 147 CO 0.09 -0.48 2.29 0.93 0.00 0.00 0.00 175.76 178.59 3h02 h GLU 148 N 0.10 0.00 -0.40 0.00 5.08 -1.46 -1.67 114.58 116.23 3h02 h GLU 148 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3h02 h GLU 148 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3h02 h GLU 148 CO 0.61 0.01 0.00 0.27 -1.00 0.00 0.00 179.01 178.90 3h02 n ASN 149 N -3.38 2.38 -4.76 1.42 6.94 -1.26 -4.51 115.26 112.10 3h02 n ASN 149 Ca -0.03 -1.94 -0.41 0.00 -0.02 0.00 0.00 54.58 52.18 3h02 n ASN 149 Cb 0.10 -0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.23 3h02 n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h02 s ALA 150 N -1.47 3.47 -0.04 -2.53 0.00 -0.63 -3.45 121.76 117.10 3h02 s ALA 150 Ca 0.32 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.40 3h02 s ALA 150 Cb 0.17 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.87 3h02 s ALA 150 CO 0.23 -0.45 -0.10 0.42 0.00 0.00 0.00 175.76 175.85 3h02 s ILE 151 N -0.89 0.94 0.15 0.00 -1.09 -0.34 -2.19 121.20 117.78 3h02 s ILE 151 Ca 0.49 -0.41 0.08 0.00 -2.23 0.00 0.00 60.65 58.58 3h02 s ILE 151 Cb -0.36 -0.84 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 3h02 s ILE 151 CO 0.46 0.29 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.91 3h02 s PHE 152 N 0.37 1.81 0.00 3.97 0.08 0.21 -0.60 117.98 123.82 3h02 s PHE 152 Ca -0.07 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.52 3h02 s PHE 152 Cb -0.11 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.41 3h02 s PHE 152 CO 0.01 0.30 0.00 0.41 -0.10 0.00 0.00 175.22 175.84 3h02 n GLY 153 N 0.49 2.62 3.76 4.36 0.00 -1.16 0.16 105.19 115.43 3h02 n GLY 153 Ca -0.15 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 3h02 n GLY 153 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h02 s GLN 154 N -2.00 2.65 0.00 1.61 -1.52 -1.26 -1.90 119.66 117.24 3h02 s GLN 154 Ca 0.00 -1.25 0.00 0.00 -1.95 0.00 0.00 55.36 52.16 3h02 s GLN 154 Cb 0.00 -2.39 0.00 0.00 -0.22 0.00 0.00 33.01 30.40 3h02 s GLN 154 CO 0.00 0.32 0.02 0.25 -0.25 0.00 0.00 175.29 175.63 3h02 n THR 155 N -1.11 0.00 -0.04 -0.19 -2.24 -1.26 -4.54 114.28 104.90 3h02 n THR 155 Ca -0.06 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.53 3h02 n THR 155 Cb 0.59 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.86 3h02 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h02 n GLY 156 N 0.33 -2.17 0.33 3.38 0.00 -1.26 -0.94 105.19 104.87 3h02 n GLY 156 Ca 0.00 0.47 0.17 0.00 0.00 0.00 0.00 46.02 46.66 3h02 n GLY 156 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h02 h PRO 157 N 0.00 0.00 0.00 1.61 0.11 -1.69 0.40 132.00 132.43 3h02 h PRO 157 Ca 0.01 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 3h02 h PRO 157 Cb 0.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3h02 h PRO 157 CO -0.08 0.00 -0.62 0.87 -0.21 0.00 0.00 178.00 177.96 3h02 h LYS 158 N 0.00 0.00 -0.05 1.05 1.57 -1.35 -3.31 116.57 114.48 3h02 h LYS 158 Ca 0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3h02 h LYS 158 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3h02 h LYS 158 CO -0.00 0.62 -0.22 0.28 -0.57 0.00 0.00 179.45 179.57 3h02 n VAL 159 N -3.39 2.11 -3.06 0.50 0.31 -0.42 -4.99 118.33 109.38 3h02 n VAL 159 Ca 0.01 -2.70 -0.13 0.00 -0.01 0.00 0.00 64.34 61.50 3h02 n VAL 159 Cb 0.73 -0.25 0.07 0.00 -0.91 0.00 0.00 33.84 33.48 3h02 n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h02 n GLY 160 N -1.22 -0.39 3.72 2.92 0.00 -0.27 -5.01 105.19 104.94 3h02 n GLY 160 Ca 0.19 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 3h02 n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h02 s SER 161 N -3.82 0.31 -0.23 1.61 0.15 0.13 -4.98 113.70 106.87 3h02 s SER 161 Ca 0.13 -1.30 -0.32 0.00 0.70 0.00 0.00 55.95 55.15 3h02 s SER 161 Cb -0.02 0.82 0.16 0.00 -1.71 0.00 0.00 66.02 65.27 3h02 s SER 161 CO 0.59 -1.63 1.24 0.72 1.20 0.00 0.00 173.24 175.35 3h02 s PHE 162 N -2.31 -0.13 -0.43 3.44 -0.71 -1.26 -2.12 117.98 114.47 3h02 s PHE 162 Ca 0.20 0.16 0.03 0.00 -1.04 0.00 0.00 56.93 56.29 3h02 s PHE 162 Cb -0.04 0.50 0.11 0.00 -1.21 0.00 0.00 43.02 42.38 3h02 s PHE 162 CO 0.15 -0.15 0.16 0.34 -1.34 0.00 0.00 175.22 174.37 3h02 s ASP 163 N -1.54 4.62 -0.00 1.98 -1.08 -1.26 -4.96 116.67 114.44 3h02 s ASP 163 Ca 0.07 -2.53 0.12 0.00 -0.52 0.00 0.00 52.55 49.70 3h02 s ASP 163 Cb -0.01 -1.65 0.36 0.00 -1.46 0.00 0.00 42.92 40.16 3h02 s ASP 163 CO -0.05 -0.33 1.29 0.61 0.52 0.00 0.00 175.17 177.22 3h02 n GLY 164 N 3.77 0.90 0.00 2.66 0.00 -1.26 -3.04 105.19 108.22 3h02 n GLY 164 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3h02 n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h02 n GLY 165 N 1.13 0.64 0.24 -0.02 0.00 -1.26 -4.52 105.19 101.40 3h02 n GLY 165 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 3h02 n GLY 165 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h02 h TRP 166 N 0.00 0.00 -0.17 1.61 6.55 -1.97 -1.52 115.95 120.45 3h02 h TRP 166 Ca 0.00 0.00 0.05 0.00 0.95 0.00 0.00 58.89 59.89 3h02 h TRP 166 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 3h02 h TRP 166 CO 0.00 0.16 0.22 0.78 -1.05 0.00 0.00 178.44 178.55 3h02 h GLY 167 N 0.64 0.00 0.00 1.49 0.00 -1.88 -2.10 103.07 101.22 3h02 h GLY 167 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h02 h GLY 167 CO 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.47 3h02 n ALA 168 N -2.29 0.98 -0.26 3.60 0.00 -0.63 -4.76 120.51 117.16 3h02 n ALA 168 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3h02 n ALA 168 Cb 0.33 0.01 0.13 0.00 0.00 0.00 0.00 19.45 19.93 3h02 n ALA 168 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h02 h SER 169 N -0.09 0.59 0.00 0.00 4.64 -1.52 -1.67 113.55 115.50 3h02 h SER 169 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3h02 h SER 169 Cb 0.09 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3h02 h SER 169 CO 0.00 0.36 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 3h02 n TYR 170 N -4.78 0.00 0.00 4.77 9.36 -0.79 -2.10 117.16 123.63 3h02 n TYR 170 Ca 0.11 -0.43 0.00 0.00 3.32 0.00 0.00 57.90 60.89 3h02 n TYR 170 Cb 0.22 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.64 3h02 n TYR 170 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h02 n ALA 172 N 1.16 0.00 0.67 2.98 0.00 -0.63 -2.09 120.51 122.61 3h02 n ALA 172 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3h02 n ALA 172 Cb 0.30 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.18 3h02 n ALA 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h02 n ARG 173 N 0.00 0.02 -0.11 0.00 5.12 -0.89 -0.41 116.66 120.38 3h02 n ARG 173 Ca 0.00 0.17 -0.18 0.00 -1.93 0.00 0.00 57.85 55.91 3h02 n ARG 173 Cb 0.00 -1.53 -0.06 0.00 -1.16 0.00 0.00 32.46 29.71 3h02 n ARG 173 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3h02 n ILE 174 N -1.56 1.51 0.77 0.55 5.41 -0.89 -4.77 119.36 120.38 3h02 n ILE 174 Ca 0.05 -0.07 0.08 0.00 1.00 0.00 0.00 62.75 63.81 3h02 n ILE 174 Cb 0.24 -2.15 -0.02 0.00 -0.71 0.00 0.00 39.64 37.00 3h02 n ILE 174 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3h02 n VAL 175 N -4.39 0.00 0.00 1.39 0.24 -1.25 -4.76 118.33 109.56 3h02 n VAL 175 Ca -0.30 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3h02 n VAL 175 Cb 0.65 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.19 3h02 n VAL 175 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h02 n GLY 176 N 1.24 0.27 0.29 7.63 0.00 0.45 -4.46 105.19 110.61 3h02 n GLY 176 Ca 0.06 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 3h02 n GLY 176 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3h02 h GLN 177 N 0.00 0.76 0.22 1.61 1.08 -1.99 -0.63 115.11 116.16 3h02 h GLN 177 Ca 0.00 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 3h02 h GLN 177 Cb 0.00 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3h02 h GLN 177 CO 0.00 0.73 -0.11 0.87 -0.95 0.00 0.00 178.83 179.38 3h02 h LYS 178 N 0.72 -0.29 -0.67 1.46 1.79 -1.96 -1.87 116.57 115.74 3h02 h LYS 178 Ca 0.15 0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.56 3h02 h LYS 178 Cb 0.37 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 3h02 h LYS 178 CO 0.01 -0.03 0.11 0.87 -1.08 0.00 0.00 179.45 179.33 3h02 h LYS 179 N -0.52 1.11 -0.80 3.15 1.79 -1.76 -1.58 116.57 117.96 3h02 h LYS 179 Ca -0.03 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.12 3h02 h LYS 179 Cb 0.39 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.87 3h02 h LYS 179 CO 0.05 1.01 0.41 0.00 -1.08 0.00 0.00 179.45 179.84 3h02 h ALA 180 N 1.07 1.22 -0.40 3.86 0.00 -1.10 -0.12 119.26 123.79 3h02 h ALA 180 Ca 0.21 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3h02 h ALA 180 Cb 0.44 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3h02 h ALA 180 CO 0.01 0.61 -0.21 0.00 0.00 0.00 0.00 179.25 179.67 3h02 h ARG 181 N 1.13 0.79 0.17 0.00 3.08 -1.00 -2.23 114.38 116.31 3h02 h ARG 181 Ca 0.28 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3h02 h ARG 181 Cb 0.07 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3h02 h ARG 181 CO -0.04 0.93 -0.08 1.49 -1.07 0.00 0.00 179.97 181.20 3h02 h GLU 182 N 0.69 -0.22 -0.35 0.04 4.81 -0.83 0.14 114.58 118.86 3h02 h GLU 182 Ca 0.10 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3h02 h GLU 182 Cb 0.72 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.07 3h02 h GLU 182 CO 0.06 0.03 -0.21 0.82 -0.73 0.00 0.00 179.01 178.97 3h02 h ILE 183 N -0.46 0.41 -0.07 2.32 2.04 -0.99 -1.85 117.51 118.91 3h02 h ILE 183 Ca -0.02 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.59 3h02 h ILE 183 Cb 0.35 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3h02 h ILE 183 CO 0.04 0.00 -0.91 -0.50 0.00 0.00 0.00 178.15 176.78 3h02 h TRP 184 N -0.17 1.02 -0.12 1.37 4.06 -1.36 -2.41 115.95 118.35 3h02 h TRP 184 Ca 0.17 -0.50 -0.21 0.00 2.06 0.00 0.00 58.89 60.41 3h02 h TRP 184 Cb 0.44 -0.14 0.01 0.00 -1.00 0.00 0.00 29.16 28.47 3h02 h TRP 184 CO -0.42 1.34 -0.78 0.74 -3.56 0.00 0.00 178.44 175.76 3h02 h PHE 185 N 0.45 0.88 0.00 0.49 -1.00 -0.86 -3.34 116.94 113.56 3h02 h PHE 185 Ca -0.09 -0.40 -0.18 0.00 2.81 0.00 0.00 57.97 60.12 3h02 h PHE 185 Cb 1.55 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.94 3h02 h PHE 185 CO 0.09 1.20 -1.77 1.28 -1.61 0.00 0.00 178.31 177.50 3h02 n LEU 186 N -3.89 0.45 -3.77 1.54 4.32 -0.70 -5.00 117.00 109.95 3h02 n LEU 186 Ca -0.06 0.20 -0.27 0.00 -0.02 0.00 0.00 56.01 55.86 3h02 n LEU 186 Cb 0.74 0.16 0.05 0.00 -1.62 0.00 0.00 43.42 42.75 3h02 n LEU 186 CO 0.51 0.19 0.14 0.00 -1.22 0.00 0.00 177.39 177.01 3h02 s ARG 188 N -6.40 1.28 -0.01 0.00 0.52 -1.26 -4.78 118.95 108.30 3h02 s ARG 188 Ca 0.54 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3h02 s ARG 188 Cb -0.26 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 3h02 s ARG 188 CO 0.79 -1.98 0.04 -0.65 0.02 0.00 0.00 175.30 173.52 3h02 s GLN 189 N -5.68 2.93 -0.01 3.54 -0.21 -1.26 -4.25 119.66 114.72 3h02 s GLN 189 Ca 0.68 -0.53 0.08 0.00 0.02 0.00 0.00 55.36 55.61 3h02 s GLN 189 Cb -0.07 -2.77 -0.02 0.00 1.00 0.00 0.00 33.01 31.15 3h02 s GLN 189 CO 0.50 0.64 -0.25 0.71 -2.12 0.00 0.00 175.29 174.78 3h02 s TYR 190 N -1.11 2.25 0.87 0.91 2.02 0.12 -4.93 117.35 117.48 3h02 s TYR 190 Ca 0.20 -0.42 -0.10 0.00 -0.37 0.00 0.00 57.07 56.38 3h02 s TYR 190 Cb -0.12 -1.43 0.18 0.00 -0.40 0.00 0.00 41.96 40.19 3h02 s TYR 190 CO 0.11 -0.01 1.20 0.16 -1.57 0.00 0.00 175.55 175.44 3h02 s ASP 191 N -0.70 3.55 0.22 2.29 1.47 -1.26 -0.62 116.67 121.63 3h02 s ASP 191 Ca 0.10 0.01 -0.08 0.00 1.18 0.00 0.00 52.55 53.76 3h02 s ASP 191 Cb -0.10 -0.17 0.24 0.00 -0.34 0.00 0.00 42.92 42.55 3h02 s ASP 191 CO -0.00 -2.42 1.87 0.00 0.68 0.00 0.00 175.17 175.29 3h02 h ALA 192 N -1.23 1.06 -0.01 2.11 0.00 -1.67 -1.56 119.26 117.96 3h02 h ALA 192 Ca -0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3h02 h ALA 192 Cb 1.24 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h02 h ALA 192 CO 0.38 0.34 0.00 0.37 0.00 0.00 0.00 179.25 180.34 3h02 h GLN 193 N 1.00 0.01 -0.45 0.00 5.75 -1.90 -0.70 115.11 118.82 3h02 h GLN 193 Ca 0.32 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.90 3h02 h GLN 193 Cb 0.01 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.49 3h02 h GLN 193 CO -0.11 0.20 0.07 1.96 -2.65 0.00 0.00 178.83 178.30 3h02 h GLN 194 N -0.17 0.19 -0.80 1.69 4.20 -1.89 0.24 115.11 118.58 3h02 h GLN 194 Ca 0.00 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.75 3h02 h GLN 194 Cb 0.19 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 3h02 h GLN 194 CO -0.00 0.13 0.49 0.00 -0.67 0.00 0.00 178.83 178.78 3h02 h ALA 195 N 1.36 1.07 -0.31 3.87 0.00 -0.99 -2.39 119.26 121.86 3h02 h ALA 195 Ca 0.22 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3h02 h ALA 195 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3h02 h ALA 195 CO -0.31 0.25 -0.02 1.25 0.00 0.00 0.00 179.25 180.43 3h02 h LEU 196 N 0.93 0.56 -1.99 0.00 5.85 -0.55 0.43 115.31 120.53 3h02 h LEU 196 Ca 0.34 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3h02 h LEU 196 Cb 0.11 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3h02 h LEU 196 CO -0.15 0.75 0.00 0.47 -0.34 0.00 0.00 178.44 179.17 3h02 n ASP 197 N -4.53 0.39 -0.38 1.25 8.00 0.02 -4.49 116.55 116.81 3h02 n ASP 197 Ca -0.02 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.22 3h02 n ASP 197 Cb 0.28 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3h02 n ASP 197 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h02 n GLY 199 N 0.93 0.46 0.13 0.44 0.00 -1.04 -5.10 105.19 101.01 3h02 n GLY 199 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3h02 n GLY 199 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h02 h LEU 200 N 0.00 0.26 -8.99 0.99 5.85 -1.14 -3.44 115.31 108.84 3h02 h LEU 200 Ca 0.00 -0.21 -0.57 0.00 0.84 0.00 0.00 57.88 57.94 3h02 h LEU 200 Cb 1.12 -0.08 -0.17 0.00 0.37 0.00 0.00 40.66 41.91 3h02 h LEU 200 CO 0.00 0.99 -0.78 0.68 -0.34 0.00 0.00 178.44 178.99 3h02 s VAL 201 N -3.27 2.12 0.09 1.05 -7.23 -1.19 -4.87 120.40 107.10 3h02 s VAL 201 Ca -0.03 -2.11 0.06 0.00 -1.81 0.00 0.00 61.98 58.09 3h02 s VAL 201 Cb 0.10 -2.06 -0.23 0.00 0.56 0.00 0.00 36.38 34.76 3h02 s VAL 201 CO 0.83 -0.32 1.18 0.78 -0.31 0.00 0.00 175.10 177.26 3h02 h ASN 202 N 2.91 0.08 -4.92 4.85 4.21 -1.39 -3.42 115.58 117.89 3h02 h ASN 202 Ca -0.42 -0.09 0.05 0.00 1.21 0.00 0.00 56.30 57.05 3h02 h ASN 202 Cb 1.22 -0.02 -0.12 0.00 -1.12 0.00 0.00 38.32 38.28 3h02 h ASN 202 CO 0.54 1.07 0.32 0.28 -1.29 0.00 0.00 177.43 178.35 3h02 s THR 203 N -2.69 0.00 -0.07 2.81 -1.32 -1.23 -5.07 115.64 108.08 3h02 s THR 203 Ca -0.01 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.32 3h02 s THR 203 Cb 0.09 -1.20 0.01 0.00 -1.51 0.00 0.00 72.50 69.90 3h02 s THR 203 CO 0.83 0.00 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.43 3h02 s VAL 204 N -3.54 1.13 0.13 5.08 1.01 -1.26 -1.59 120.40 121.36 3h02 s VAL 204 Ca 0.04 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3h02 s VAL 204 Cb -0.02 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3h02 s VAL 204 CO -0.08 0.36 -0.09 0.68 0.00 0.00 0.00 175.10 175.96 3h02 s VAL 205 N 0.75 1.03 0.45 2.92 -7.23 -0.04 -4.95 120.40 113.34 3h02 s VAL 205 Ca -0.13 -1.98 -0.25 0.00 -1.81 0.00 0.00 61.98 57.81 3h02 s VAL 205 Cb -0.16 -1.75 -0.08 0.00 0.56 0.00 0.00 36.38 34.96 3h02 s VAL 205 CO 0.03 -0.75 1.33 -2.16 -0.31 0.00 0.00 175.10 173.23 3h02 s PRO 206 N -3.65 3.69 0.31 4.82 0.04 -1.26 -1.21 135.00 137.74 3h02 s PRO 206 Ca 0.14 2.19 0.04 0.00 0.04 0.00 0.00 61.00 63.41 3h02 s PRO 206 Cb 0.02 -2.58 0.80 0.00 0.04 0.00 0.00 34.50 32.78 3h02 s PRO 206 CO -0.01 -0.73 1.61 1.25 0.04 0.00 0.00 177.00 179.16 3h02 h LEU 207 N 2.25 -0.18 -1.89 -3.56 5.85 -1.93 0.14 115.31 115.98 3h02 h LEU 207 Ca -0.50 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3h02 h LEU 207 Cb 1.26 0.37 -0.00 0.00 0.37 0.00 0.00 40.66 42.66 3h02 h LEU 207 CO 0.61 -0.28 -0.07 0.00 -0.34 0.00 0.00 178.44 178.36 3h02 h ALA 208 N 1.89 1.10 -0.54 1.25 0.00 -2.03 -2.59 119.26 118.34 3h02 h ALA 208 Ca 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3h02 h ALA 208 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3h02 h ALA 208 CO -0.79 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 178.30 3h02 n ASP 209 N -3.31 3.55 0.18 0.00 8.00 0.46 -4.64 116.55 120.80 3h02 n ASP 209 Ca -0.01 -1.98 -0.14 0.00 0.71 0.00 0.00 54.79 53.37 3h02 n ASP 209 Cb 0.25 -0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 3h02 n ASP 209 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3h02 h LEU 210 N 3.86 -0.66 -0.25 0.64 5.85 -1.27 0.20 115.31 123.69 3h02 h LEU 210 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3h02 h LEU 210 Cb 0.92 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3h02 h LEU 210 CO 0.00 -0.36 0.17 -0.08 -0.34 0.00 0.00 178.44 177.82 3h02 h GLU 211 N -0.53 0.33 -0.14 1.25 4.81 -1.82 0.74 114.58 119.22 3h02 h GLU 211 Ca -0.01 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3h02 h GLU 211 Cb 0.49 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 3h02 h GLU 211 CO -0.05 0.22 -0.25 -0.22 -0.73 0.00 0.00 179.01 177.98 3h02 h LYS 212 N 0.34 -0.30 -0.50 1.92 3.64 -1.75 0.24 116.57 120.17 3h02 h LYS 212 Ca 0.09 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3h02 h LYS 212 Cb -0.04 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3h02 h LYS 212 CO -0.02 -0.20 0.07 0.93 -2.27 0.00 0.00 179.45 177.96 3h02 h GLU 213 N -0.31 0.83 -0.60 1.90 4.39 -0.38 -1.40 114.58 119.02 3h02 h GLU 213 Ca 0.10 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.58 3h02 h GLU 213 Cb 0.46 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3h02 h GLU 213 CO -0.32 0.83 0.40 1.15 -1.16 0.00 0.00 179.01 179.91 3h02 h THR 214 N 0.71 1.15 -0.41 1.13 2.02 -0.39 -1.65 112.91 115.47 3h02 h THR 214 Ca 0.15 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 3h02 h THR 214 Cb 0.41 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3h02 h THR 214 CO 0.01 0.15 -0.05 0.58 0.37 0.00 0.00 175.52 176.58 3h02 h VAL 215 N 0.81 1.24 -0.37 3.16 2.07 -0.35 -1.87 116.25 120.94 3h02 h VAL 215 Ca 0.22 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3h02 h VAL 215 Cb -0.09 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3h02 h VAL 215 CO -0.05 0.35 0.22 -0.09 0.02 0.00 0.00 177.57 178.02 3h02 h ARG 216 N 0.64 0.51 -0.29 1.57 2.43 -0.57 -0.69 114.38 117.97 3h02 h ARG 216 Ca 0.12 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3h02 h ARG 216 Cb 0.48 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3h02 h ARG 216 CO 0.02 0.38 0.18 -1.49 -1.51 0.00 0.00 179.97 177.55 3h02 h TRP 217 N 0.48 0.39 -0.50 2.20 4.06 -1.05 -1.29 115.95 120.25 3h02 h TRP 217 Ca 0.13 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.14 3h02 h TRP 217 Cb 0.01 -0.13 -0.05 0.00 -1.00 0.00 0.00 29.16 27.99 3h02 h TRP 217 CO -0.04 0.29 0.20 0.00 -3.56 0.00 0.00 178.44 175.34 3h02 h ARG 219 N 0.39 0.54 -1.14 0.00 3.08 -0.74 -0.44 114.38 116.07 3h02 h ARG 219 Ca 0.24 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3h02 h ARG 219 Cb 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3h02 h ARG 219 CO -0.22 0.49 0.00 0.39 -1.07 0.00 0.00 179.97 179.56 3h02 n GLU 220 N -4.34 0.22 0.00 0.04 1.02 -0.52 -2.38 120.64 114.68 3h02 n GLU 220 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3h02 n GLU 220 Cb 0.18 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3h02 n GLU 220 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h02 n LEU 222 N 0.68 0.00 0.02 -4.62 4.77 -0.18 -3.68 117.00 114.00 3h02 n LEU 222 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3h02 n LEU 222 Cb 0.09 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.71 3h02 n LEU 222 CO 0.00 0.00 0.88 0.00 -1.33 0.00 0.00 177.39 176.94 3h02 n GLN 223 N 0.00 0.06 -2.73 3.23 6.02 -1.00 -4.87 117.38 118.09 3h02 n GLN 223 Ca 0.00 0.05 -0.24 0.00 -0.01 0.00 0.00 57.00 56.80 3h02 n GLN 223 Cb 0.00 -1.57 0.02 0.00 1.02 0.00 0.00 30.24 29.72 3h02 n GLN 223 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3h02 s ASN 224 N -3.35 5.63 0.03 1.08 0.01 -1.24 -5.02 114.94 112.08 3h02 s ASN 224 Ca 0.13 0.37 -0.30 0.00 -0.71 0.00 0.00 52.86 52.34 3h02 s ASN 224 Cb 0.17 -1.46 -0.08 0.00 0.41 0.00 0.00 41.25 40.29 3h02 s ASN 224 CO 0.56 -0.91 1.83 -0.55 -1.51 0.00 0.00 177.10 176.53 3h02 s SER 225 N -4.29 6.52 0.00 -1.22 0.15 -1.26 -4.99 113.70 108.62 3h02 s SER 225 Ca 0.52 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.71 3h02 s SER 225 Cb -0.10 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3h02 s SER 225 CO 0.40 -1.00 0.40 -2.65 1.20 0.00 0.00 173.24 171.60 3h02 n PRO 226 N 7.00 0.30 0.00 5.44 -0.02 -1.26 -1.93 135.00 144.54 3h02 n PRO 226 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3h02 n PRO 226 Cb 0.41 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 3h02 n PRO 226 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h02 n ALA 228 N 1.17 0.00 -0.29 3.55 0.00 -1.26 -1.89 120.51 121.79 3h02 n ALA 228 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3h02 n ALA 228 Cb 0.15 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.67 3h02 n ALA 228 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h02 h LEU 229 N 0.00 0.93 -0.39 0.00 3.38 -1.76 -0.86 115.31 116.61 3h02 h LEU 229 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3h02 h LEU 229 Cb 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3h02 h LEU 229 CO 0.00 0.72 0.17 -0.09 0.09 0.00 0.00 178.44 179.33 3h02 h ARG 230 N 1.07 0.58 -0.39 1.13 2.43 -1.52 -0.27 114.38 117.40 3h02 h ARG 230 Ca 0.28 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 3h02 h ARG 230 Cb -0.05 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3h02 h ARG 230 CO -0.05 0.53 -0.26 0.00 -1.51 0.00 0.00 179.97 178.68 3h02 h LEU 232 N 0.70 0.89 -0.60 0.00 3.38 -1.03 0.19 115.31 118.85 3h02 h LEU 232 Ca 0.09 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3h02 h LEU 232 Cb 0.80 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3h02 h LEU 232 CO 0.07 1.07 0.31 0.50 0.09 0.00 0.00 178.44 180.47 3h02 h LYS 233 N 0.71 0.85 -0.60 1.13 3.64 -0.98 0.14 116.57 121.47 3h02 h LYS 233 Ca 0.11 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3h02 h LYS 233 Cb 0.70 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 3h02 h LYS 233 CO 0.05 0.67 0.11 0.00 -2.27 0.00 0.00 179.45 178.01 3h02 h ALA 234 N 1.14 1.07 -0.57 5.00 0.00 -1.22 -0.55 119.26 124.13 3h02 h ALA 234 Ca 0.21 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3h02 h ALA 234 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h02 h ALA 234 CO -0.03 0.61 0.01 0.00 0.00 0.00 0.00 179.25 179.83 3h02 h ALA 235 N 1.21 0.77 -0.43 0.00 0.00 -0.27 0.42 119.26 120.97 3h02 h ALA 235 Ca 0.19 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3h02 h ALA 235 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h02 h ALA 235 CO 0.01 0.59 -0.22 -0.07 0.00 0.00 0.00 179.25 179.55 3h02 h LEU 236 N 0.89 0.89 -1.09 0.00 3.38 -0.52 -2.82 115.31 116.04 3h02 h LEU 236 Ca 0.16 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3h02 h LEU 236 Cb 0.54 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3h02 h LEU 236 CO 0.03 1.07 -0.09 0.78 0.09 0.00 0.00 178.44 180.33 3h02 h ASN 237 N 0.75 0.52 0.47 -0.43 2.35 -0.81 -3.02 115.58 115.41 3h02 h ASN 237 Ca 0.10 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3h02 h ASN 237 Cb 0.77 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 3h02 h ASN 237 CO 0.06 0.65 -0.02 0.00 -1.65 0.00 0.00 177.43 176.47 3h02 h ALA 238 N 1.41 1.06 0.00 -0.83 0.00 -0.65 -0.02 119.26 120.22 3h02 h ALA 238 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h02 h ALA 238 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3h02 h ALA 238 CO 0.02 0.03 0.00 -3.47 0.00 0.00 0.00 179.25 175.83 3h02 n ASP 239 N -3.20 0.41 -0.01 0.00 2.03 -1.14 -3.93 116.55 110.71 3h02 n ASP 239 Ca -0.01 0.58 -0.01 0.00 0.52 0.00 0.00 54.79 55.87 3h02 n ASP 239 Cb 0.20 -0.68 -0.02 0.00 -0.72 0.00 0.00 41.12 39.90 3h02 n ASP 239 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h02 n ASP 241 N -2.12 5.31 0.00 0.00 8.00 -0.29 -5.03 116.55 122.43 3h02 n ASP 241 Ca -0.03 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.62 3h02 n ASP 241 Cb 0.56 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3h02 n ASP 241 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h02 n GLY 242 N 0.58 2.76 0.25 0.44 0.00 -1.26 -1.09 105.19 106.86 3h02 n GLY 242 Ca 0.27 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.33 3h02 n GLY 242 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3h02 h GLN 243 N 0.00 0.00 -0.25 1.61 4.20 -1.96 -0.80 115.11 117.91 3h02 h GLN 243 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3h02 h GLN 243 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3h02 h GLN 243 CO 0.00 0.13 -0.22 0.00 -0.67 0.00 0.00 178.83 178.07 3h02 h ALA 244 N 1.87 1.15 -0.24 3.87 0.00 -1.54 0.16 119.26 124.53 3h02 h ALA 244 Ca -0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 3h02 h ALA 244 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h02 h ALA 244 CO 0.02 0.54 -0.51 0.78 0.00 0.00 0.00 179.25 180.08 3h02 h GLY 245 N 1.00 0.84 1.53 0.00 0.00 -0.70 -2.96 103.07 102.78 3h02 h GLY 245 Ca 0.06 -1.01 -0.03 0.00 0.00 0.00 0.00 47.33 46.35 3h02 h GLY 245 CO 0.04 0.91 0.11 1.41 0.00 0.00 0.00 176.54 179.01 3h02 h LEU 246 N 0.51 0.55 -0.38 3.11 3.38 -0.65 -1.11 115.31 120.72 3h02 h LEU 246 Ca 0.01 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3h02 h LEU 246 Cb 1.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3h02 h LEU 246 CO 0.11 0.55 0.23 -0.61 0.09 0.00 0.00 178.44 178.81 3h02 h GLN 247 N 0.59 0.46 -0.23 1.13 4.15 -0.59 0.23 115.11 120.85 3h02 h GLN 247 Ca 0.14 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 3h02 h GLN 247 Cb 0.21 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3h02 h GLN 247 CO -0.00 0.30 0.03 0.93 -1.93 0.00 0.00 178.83 178.15 3h02 h GLU 248 N 0.47 0.39 -0.24 1.69 5.08 -1.29 -0.85 114.58 119.82 3h02 h GLU 248 Ca 0.15 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3h02 h GLU 248 Cb -0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3h02 h GLU 248 CO -0.06 0.54 0.10 1.25 -1.00 0.00 0.00 179.01 179.84 3h02 h LEU 249 N 0.18 0.33 -1.15 1.33 5.85 -0.95 -2.17 115.31 118.73 3h02 h LEU 249 Ca 0.07 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3h02 h LEU 249 Cb 0.35 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3h02 h LEU 249 CO 0.01 0.39 -0.37 0.00 -0.34 0.00 0.00 178.44 178.13 3h02 h ALA 250 N 0.95 1.29 -0.77 1.25 0.00 -0.56 -2.32 119.26 119.10 3h02 h ALA 250 Ca 0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3h02 h ALA 250 Cb 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3h02 h ALA 250 CO -0.01 0.51 0.37 0.78 0.00 0.00 0.00 179.25 180.90 3h02 h GLY 251 N 1.15 1.18 1.05 0.00 0.00 -0.85 0.26 103.07 105.86 3h02 h GLY 251 Ca 0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 3h02 h GLY 251 CO 0.05 0.55 -0.07 3.43 0.00 0.00 0.00 176.54 180.50 3h02 h ASN 252 N 1.10 0.95 -0.53 0.19 2.35 -0.88 -2.99 115.58 115.77 3h02 h ASN 252 Ca 0.27 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3h02 h ASN 252 Cb 0.10 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3h02 h ASN 252 CO -0.03 1.06 0.34 0.00 -1.65 0.00 0.00 177.43 177.14 3h02 h ALA 253 N 0.92 0.67 0.00 -0.83 0.00 -0.97 0.57 119.26 119.62 3h02 h ALA 253 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h02 h ALA 253 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3h02 h ALA 253 CO 0.04 0.07 0.00 2.41 0.00 0.00 0.00 179.25 181.77 3h02 n THR 254 N -4.75 0.00 0.00 0.00 -1.04 0.04 -0.46 114.28 108.07 3h02 n THR 254 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3h02 n THR 254 Cb 0.05 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 3h02 n THR 254 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3h02 n LEU 256 N 0.66 0.00 -0.17 -4.42 4.77 0.19 -1.70 117.00 116.34 3h02 n LEU 256 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3h02 n LEU 256 Cb 0.00 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.49 3h02 n LEU 256 CO 0.00 0.00 1.21 0.15 -1.33 0.00 0.00 177.39 177.42 3h02 h PHE 257 N 0.00 0.68 0.00 -1.77 3.57 -1.02 -3.22 116.94 115.19 3h02 h PHE 257 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3h02 h PHE 257 Cb 0.00 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3h02 h PHE 257 CO 0.00 0.34 0.06 0.66 -2.23 0.00 0.00 178.31 177.13 3h02 n TYR 258 N -4.49 0.00 -0.51 0.41 4.01 -0.69 -3.64 117.16 112.26 3h02 n TYR 258 Ca 0.11 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 3h02 n TYR 258 Cb 0.30 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 3h02 n TYR 258 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3h02 n THR 260 N 2.11 0.00 0.01 -0.72 -2.24 -1.22 -4.50 114.28 107.73 3h02 n THR 260 Ca 0.04 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.72 3h02 n THR 260 Cb 0.20 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 3h02 n THR 260 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3h02 h GLU 261 N -0.71 -0.14 -0.75 -0.78 4.39 -1.96 -1.33 114.58 113.29 3h02 h GLU 261 Ca 0.00 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.72 3h02 h GLU 261 Cb 0.00 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3h02 h GLU 261 CO 0.00 -0.09 0.50 1.49 -1.16 0.00 0.00 179.01 179.75 3h02 h GLU 262 N -0.15 0.99 0.00 2.33 4.81 -1.98 -0.82 114.58 119.76 3h02 h GLU 262 Ca 0.07 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3h02 h GLU 262 Cb 0.24 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3h02 h GLU 262 CO -0.17 0.65 -0.24 0.78 -0.73 0.00 0.00 179.01 179.30 3h02 h GLY 263 N 1.02 0.00 1.35 1.92 0.00 -1.47 -2.92 103.07 102.97 3h02 h GLY 263 Ca 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 3h02 h GLY 263 CO -0.06 0.00 -0.93 1.46 0.00 0.00 0.00 176.54 177.01 3h02 h GLN 264 N 0.00 0.00 -0.54 4.80 4.20 -0.11 -3.30 115.11 120.16 3h02 h GLN 264 Ca -0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.86 3h02 h GLN 264 Cb 0.63 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 3h02 h GLN 264 CO 0.03 0.24 0.47 1.49 -0.67 0.00 0.00 178.83 180.39 3h02 h GLU 265 N 0.00 0.00 0.34 1.46 4.57 -1.00 0.96 114.58 120.91 3h02 h GLU 265 Ca -0.07 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3h02 h GLU 265 Cb 1.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 3h02 h GLU 265 CO 0.03 0.00 -0.16 0.78 -1.18 0.00 0.00 179.01 178.48 3h02 h GLY 266 N 0.00 -0.47 1.33 1.92 0.00 -1.71 -0.86 103.07 103.28 3h02 h GLY 266 Ca 0.26 0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.61 3h02 h GLY 266 CO -0.00 -0.17 -0.42 -0.09 0.00 0.00 0.00 176.54 175.85 3h02 h ARG 267 N -0.75 0.73 -0.41 4.80 1.12 -1.59 -2.32 114.38 115.97 3h02 h ARG 267 Ca -0.05 -0.39 0.03 0.00 -1.11 0.00 0.00 59.98 58.46 3h02 h ARG 267 Cb 0.50 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.46 3h02 h ARG 267 CO 0.08 1.01 0.27 -0.91 -3.11 0.00 0.00 179.97 177.31 3h02 h ASN 268 N 0.59 0.38 -0.54 -3.80 2.35 -0.87 -0.65 115.58 113.03 3h02 h ASN 268 Ca 0.04 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3h02 h ASN 268 Cb 0.97 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.20 3h02 h ASN 268 CO 0.09 0.26 0.26 0.00 -1.65 0.00 0.00 177.43 176.39 3h02 h ALA 269 N 1.77 0.70 0.33 -0.83 0.00 -0.57 0.20 119.26 120.86 3h02 h ALA 269 Ca 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3h02 h ALA 269 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h02 h ALA 269 CO -0.04 -0.11 -0.16 0.35 0.00 0.00 0.00 179.25 179.29 3h02 h PHE 270 N 0.49 -0.42 -0.92 0.00 3.57 -1.12 0.43 116.94 118.98 3h02 h PHE 270 Ca 0.25 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.00 3h02 h PHE 270 Cb 0.20 0.14 -0.14 0.00 2.79 0.00 0.00 35.95 38.93 3h02 h PHE 270 CO -0.12 -0.26 0.33 -0.97 -2.23 0.00 0.00 178.31 175.06 3h02 h ASN 271 N -0.53 0.14 0.99 0.41 -1.24 -1.29 1.08 115.58 115.13 3h02 h ASN 271 Ca -0.05 0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.16 3h02 h ASN 271 Cb 0.34 0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.63 3h02 h ASN 271 CO 0.08 -0.15 -0.44 0.00 -1.29 0.00 0.00 177.43 175.62 3h02 n GLN 272 N -5.18 0.25 -2.84 6.67 6.02 0.68 -4.99 117.38 117.99 3h02 n GLN 272 Ca 0.24 0.11 -0.05 0.00 -0.01 0.00 0.00 57.00 57.29 3h02 n GLN 272 Cb 0.77 -1.69 0.01 0.00 1.02 0.00 0.00 30.24 30.34 3h02 n GLN 272 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3h02 n LYS 273 N -2.07 -2.82 -3.97 -1.09 5.02 0.37 -5.04 118.16 108.56 3h02 n LYS 273 Ca 0.04 2.36 0.04 0.00 -2.02 0.00 0.00 58.31 58.73 3h02 n LYS 273 Cb 0.42 -5.06 0.01 0.00 -0.02 0.00 0.00 35.03 30.38 3h02 n LYS 273 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3h02 s ARG 274 N -1.99 0.22 0.18 1.97 1.70 -0.63 -5.02 118.95 115.38 3h02 s ARG 274 Ca 0.11 -0.14 -0.31 0.00 -0.47 0.00 0.00 55.73 54.93 3h02 s ARG 274 Cb -0.03 0.06 -0.09 0.00 -0.57 0.00 0.00 34.95 34.32 3h02 s ARG 274 CO 0.73 -0.10 1.41 -1.14 -1.08 0.00 0.00 175.30 175.12 3h02 s GLN 275 N -2.03 4.31 0.34 3.89 2.00 -1.26 -4.70 119.66 122.21 3h02 s GLN 275 Ca 0.29 2.18 -0.28 0.00 -2.00 0.00 0.00 55.36 55.55 3h02 s GLN 275 Cb 0.00 -3.18 -0.10 0.00 0.80 0.00 0.00 33.01 30.53 3h02 s GLN 275 CO -0.02 -0.41 1.32 -2.14 -0.50 0.00 0.00 175.29 173.54 3h02 s PRO 276 N 0.37 4.29 -0.44 1.67 0.02 -1.26 -4.98 135.00 134.67 3h02 s PRO 276 Ca 0.62 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.91 3h02 s PRO 276 Cb -0.39 -3.02 0.13 0.00 0.02 0.00 0.00 34.50 31.23 3h02 s PRO 276 CO 0.36 -0.25 0.21 0.34 -0.33 0.00 0.00 177.00 177.33 3h02 s ASP 277 N -0.49 4.04 0.00 2.53 2.15 -1.26 -4.92 116.67 118.72 3h02 s ASP 277 Ca 0.50 -2.62 0.26 0.00 0.43 0.00 0.00 52.55 51.13 3h02 s ASP 277 Cb -0.40 -1.30 0.72 0.00 -0.30 0.00 0.00 42.92 41.64 3h02 s ASP 277 CO 0.53 -0.28 1.54 0.49 -0.17 0.00 0.00 175.17 177.29 3h02 n PHE 278 N 3.59 0.00 0.29 -5.34 3.01 -1.26 -3.83 117.46 113.92 3h02 n PHE 278 Ca 0.06 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.68 3h02 n PHE 278 Cb 0.35 -0.14 0.85 0.00 -0.01 0.00 0.00 39.48 40.53 3h02 n PHE 278 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3h02 h SER 279 N 1.07 0.00 1.56 4.37 4.64 -2.01 -0.75 113.55 122.42 3h02 h SER 279 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3h02 h SER 279 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3h02 h SER 279 CO 0.00 0.06 -0.05 0.50 -0.87 0.00 0.00 176.83 176.47 3h02 h LYS 280 N 0.00 0.00 -6.80 4.77 3.11 -2.01 -3.45 116.57 112.19 3h02 h LYS 280 Ca -0.00 0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 57.34 3h02 h LYS 280 Cb 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 3h02 h LYS 280 CO 0.01 0.05 0.11 -0.06 -2.81 0.00 0.00 179.45 176.75 3h02 s PHE 281 N -3.38 3.44 0.63 1.91 0.40 -0.29 -5.07 117.98 115.62 3h02 s PHE 281 Ca 0.04 1.09 -0.09 0.00 -0.60 0.00 0.00 56.93 57.38 3h02 s PHE 281 Cb 0.07 -2.47 -0.01 0.00 0.51 0.00 0.00 43.02 41.12 3h02 s PHE 281 CO 0.63 -0.04 1.00 0.15 0.70 0.00 0.00 175.22 177.66 3h02 s LYS 282 N -3.57 3.14 -0.20 0.44 3.01 -1.26 -5.05 119.74 116.25 3h02 s LYS 282 Ca 0.52 0.39 0.01 0.00 -1.01 0.00 0.00 55.97 55.88 3h02 s LYS 282 Cb -0.10 -2.14 0.04 0.00 -1.01 0.00 0.00 37.83 34.62 3h02 s LYS 282 CO 0.27 -0.74 -0.09 1.03 0.51 0.00 0.00 175.35 176.33 3h02 s ARG 283 N -5.15 1.94 0.42 1.68 0.52 -1.26 -5.13 118.95 111.97 3h02 s ARG 283 Ca 0.55 -0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 54.87 3h02 s ARG 283 Cb -0.11 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 3h02 s ARG 283 CO 0.50 -0.44 0.72 -0.80 0.02 0.00 0.00 175.30 175.30 3h02 s ASN 284 N 1.42 6.35 0.00 0.23 0.01 -1.26 -5.33 114.94 116.36 3h02 s ASN 284 Ca -0.02 0.89 0.25 0.00 -0.71 0.00 0.00 52.86 53.28 3h02 s ASN 284 Cb -0.16 -2.23 1.51 0.00 0.41 0.00 0.00 41.25 40.78 3h02 s ASN 284 CO -0.08 -0.45 1.87 -0.81 -1.51 0.00 0.00 177.10 176.12