#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 0.36 0.00 -0.67 4.81 -2.05 -0.98 114.58 116.05 3h02 h GLU 6 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3h02 h GLU 6 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3h02 h GLU 6 CO 0.00 0.55 0.00 2.41 -0.73 0.00 0.00 179.01 181.24 3h02 n THR 7 N -4.17 0.00 0.00 0.32 -1.04 -1.26 -1.28 114.28 106.85 3h02 n THR 7 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3h02 n THR 7 Cb 0.35 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 3h02 n THR 7 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3h02 n LEU 9 N 0.38 0.00 -1.86 -4.42 4.77 -0.37 -2.18 117.00 113.32 3h02 n LEU 9 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3h02 n LEU 9 Cb 0.00 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.44 3h02 n LEU 9 CO 0.00 0.00 0.94 -1.22 -1.33 0.00 0.00 177.39 175.78 3h02 n TYR 10 N 0.00 2.17 -1.65 -1.77 4.01 -0.40 -4.07 117.16 115.44 3h02 n TYR 10 Ca 0.00 -0.97 -0.33 0.00 -0.16 0.00 0.00 57.90 56.44 3h02 n TYR 10 Cb 0.00 -0.58 0.06 0.00 -0.31 0.00 0.00 39.34 38.51 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 -2.89 2.39 0.79 -0.72 0.00 -0.92 -4.97 121.76 115.44 3h02 s ALA 11 Ca 0.54 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 3h02 s ALA 11 Cb 0.42 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 20.28 3h02 s ALA 11 CO 0.14 -1.42 1.15 -1.25 0.00 0.00 0.00 175.76 174.38 3h02 s PRO 12 N -4.17 1.90 -0.14 0.00 0.04 -1.26 -5.01 135.00 126.36 3h02 s PRO 12 Ca 0.67 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 63.23 3h02 s PRO 12 Cb -0.21 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 3h02 s PRO 12 CO 0.44 -1.97 -0.13 0.54 0.04 0.00 0.00 177.00 175.91 3h02 s VAL 13 N -2.44 2.95 -0.29 -0.36 0.11 -1.26 -5.09 120.40 114.03 3h02 s VAL 13 Ca 0.68 -0.69 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 3h02 s VAL 13 Cb -0.23 -2.24 -0.03 0.00 -1.53 0.00 0.00 36.38 32.34 3h02 s VAL 13 CO 0.51 0.52 0.17 -1.83 -3.33 0.00 0.00 175.10 171.14 3h02 s GLU 14 N 0.52 3.72 -0.08 1.54 -1.05 -1.26 -5.07 118.70 117.02 3h02 s GLU 14 Ca -0.09 -0.47 -0.17 0.00 -0.15 0.00 0.00 54.97 54.10 3h02 s GLU 14 Cb -0.16 -3.61 -0.05 0.00 -0.44 0.00 0.00 34.13 29.88 3h02 s GLU 14 CO 0.04 -0.26 0.44 -1.58 0.95 0.00 0.00 175.26 174.85 3h02 s TRP 15 N 1.70 3.58 -0.20 4.83 0.52 -1.26 -3.75 118.94 124.37 3h02 s TRP 15 Ca 0.06 0.90 -0.06 0.00 0.02 0.00 0.00 56.10 57.03 3h02 s TRP 15 Cb -0.16 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.67 3h02 s TRP 15 CO 0.09 0.32 0.02 -1.01 0.02 0.00 0.00 176.95 176.39 3h02 s HIS 16 N 0.07 3.09 0.02 -1.98 3.76 0.31 -4.90 115.29 115.67 3h02 s HIS 16 Ca 0.24 -0.29 -0.30 0.00 -0.15 0.00 0.00 55.06 54.56 3h02 s HIS 16 Cb -0.15 -2.08 -0.05 0.00 1.11 0.00 0.00 32.58 31.40 3h02 s HIS 16 CO 0.11 -0.12 1.31 0.34 -0.85 0.00 0.00 174.74 175.52 3h02 s ASP 17 N 0.82 6.95 -0.14 1.40 2.15 -1.26 -0.96 116.67 125.63 3h02 s ASP 17 Ca 0.01 2.06 0.16 0.00 0.43 0.00 0.00 52.55 55.21 3h02 s ASP 17 Cb -0.14 -2.57 0.40 0.00 -0.30 0.00 0.00 42.92 40.31 3h02 s ASP 17 CO 0.02 -0.62 1.19 0.00 -0.17 0.00 0.00 175.17 175.60 3h02 n SER 19 N -0.64 0.25 -4.68 0.00 7.64 -0.90 -4.57 113.62 110.73 3h02 n SER 19 Ca 0.14 -0.98 -0.51 0.00 1.01 0.00 0.00 58.87 58.53 3h02 n SER 19 Cb 0.82 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.94 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 -0.84 1.76 0.00 1.43 4.07 -1.26 -1.35 120.64 124.45 3h02 n GLU 20 Ca 0.22 0.64 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 3h02 n GLU 20 Cb 0.17 -2.41 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 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 3.98 1.90 3.81 8.31 0.00 -1.26 -5.05 105.19 116.87 3h02 n GLY 21 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.35 3.77 -0.25 1.61 2.02 -0.46 -4.99 117.35 116.70 3h02 s TYR 22 Ca 0.00 1.18 -0.02 0.00 -0.37 0.00 0.00 57.07 57.86 3h02 s TYR 22 Cb 0.00 -2.45 -0.15 0.00 -0.40 0.00 0.00 41.96 38.96 3h02 s TYR 22 CO 0.00 0.57 -0.26 2.41 -1.57 0.00 0.00 175.55 176.71 3h02 n THR 23 N 1.89 1.44 0.91 -0.71 -1.04 -1.26 -4.71 114.28 110.79 3h02 n THR 23 Ca -0.11 -0.50 0.10 0.00 -2.04 0.00 0.00 64.05 61.50 3h02 n THR 23 Cb 0.51 -1.52 -0.12 0.00 -1.82 0.00 0.00 70.33 67.39 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 -3.50 0.92 -4.29 8.00 9.92 -1.26 -4.98 116.55 121.36 3h02 n ASP 24 Ca -0.46 -0.92 -0.15 0.00 -0.53 0.00 0.00 54.79 52.72 3h02 n ASP 24 Cb 0.94 1.07 -0.10 0.00 -0.64 0.00 0.00 41.12 42.39 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 -2.99 0.86 0.13 0.53 -4.36 -1.26 -0.06 121.20 114.05 3h02 s ILE 25 Ca 0.07 -2.01 0.06 0.00 -0.26 0.00 0.00 60.65 58.50 3h02 s ILE 25 Cb 0.15 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 3h02 s ILE 25 CO 0.85 -0.38 0.01 -0.13 0.24 0.00 0.00 174.94 175.54 3h02 s ARG 26 N -3.89 2.51 -0.08 0.37 0.52 -0.18 -4.77 118.95 113.43 3h02 s ARG 26 Ca 0.27 -0.95 -0.03 0.00 -0.52 0.00 0.00 55.73 54.50 3h02 s ARG 26 Cb 0.06 -2.47 0.04 0.00 0.52 0.00 0.00 34.95 33.10 3h02 s ARG 26 CO 0.07 0.50 0.09 -0.47 0.02 0.00 0.00 175.30 175.51 3h02 s TYR 27 N -1.51 0.03 0.07 -0.53 5.04 -1.26 -1.70 117.35 117.49 3h02 s TYR 27 Ca 0.27 0.22 0.04 0.00 -2.44 0.00 0.00 57.07 55.15 3h02 s TYR 27 Cb -0.11 -0.48 -0.03 0.00 0.35 0.00 0.00 41.96 41.70 3h02 s TYR 27 CO 0.19 -0.28 -0.10 -1.21 -1.34 0.00 0.00 175.55 172.81 3h02 s GLU 28 N 2.19 0.75 -0.00 4.97 2.02 -0.55 0.93 118.70 129.01 3h02 s GLU 28 Ca 0.04 -0.99 0.03 0.00 0.02 0.00 0.00 54.97 54.07 3h02 s GLU 28 Cb -0.13 -0.53 -0.01 0.00 0.10 0.00 0.00 34.13 33.56 3h02 s GLU 28 CO -0.05 0.10 -0.11 0.15 0.02 0.00 0.00 175.26 175.37 3h02 s LYS 29 N -2.19 0.84 0.25 1.61 1.02 -0.14 0.44 119.74 121.56 3h02 s LYS 29 Ca -0.01 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 3h02 s LYS 29 Cb -0.07 -0.81 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 3h02 s LYS 29 CO 0.01 0.22 0.45 -1.54 -0.92 0.00 0.00 175.35 173.57 3h02 s SER 30 N -0.38 6.38 0.47 2.83 1.04 0.06 0.12 113.70 124.22 3h02 s SER 30 Ca 0.03 0.47 0.25 0.00 0.48 0.00 0.00 55.95 57.18 3h02 s SER 30 Cb -0.05 -2.04 1.10 0.00 0.10 0.00 0.00 66.02 65.14 3h02 s SER 30 CO -0.00 -0.12 1.91 0.71 0.98 0.00 0.00 173.24 176.72 3h02 h THR 31 N 1.37 0.58 -0.02 2.02 1.35 -1.90 -2.60 112.91 113.72 3h02 h THR 31 Ca -0.48 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 3h02 h THR 31 Cb 1.20 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3h02 h THR 31 CO 0.66 0.19 0.00 -0.90 -0.25 0.00 0.00 175.52 175.23 3h02 n ASP 32 N -3.49 0.38 0.00 5.36 5.75 -1.26 -4.90 116.55 118.39 3h02 n ASP 32 Ca -0.01 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 3h02 n ASP 32 Cb 0.36 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 3h02 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h02 n GLY 33 N 0.97 1.64 3.54 6.12 0.00 -0.98 -4.90 105.19 111.59 3h02 n GLY 33 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 4.32 -0.19 -0.61 1.01 -1.25 -0.94 121.20 121.54 3h02 s ILE 34 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 3h02 s ILE 34 Cb 0.00 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 3h02 s ILE 34 CO 0.00 0.45 0.07 0.00 0.00 0.00 0.00 174.94 175.46 3h02 s ALA 35 N 0.61 3.39 -0.11 9.38 0.00 0.04 -0.76 121.76 134.32 3h02 s ALA 35 Ca 0.01 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.22 3h02 s ALA 35 Cb -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.04 3h02 s ALA 35 CO 0.02 0.11 -0.22 0.21 0.00 0.00 0.00 175.76 175.87 3h02 s LYS 36 N 0.50 3.08 -0.22 0.00 2.20 0.17 -0.16 119.74 125.31 3h02 s LYS 36 Ca 0.03 -0.85 -0.04 0.00 -0.36 0.00 0.00 55.97 54.75 3h02 s LYS 36 Cb -0.13 -2.36 -0.01 0.00 -1.51 0.00 0.00 37.83 33.82 3h02 s LYS 36 CO 0.01 0.15 -0.04 0.42 -0.36 0.00 0.00 175.35 175.52 3h02 s ILE 37 N 0.43 3.40 -0.16 5.43 1.01 0.41 -1.48 121.20 130.24 3h02 s ILE 37 Ca -0.16 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3h02 s ILE 37 Cb -0.17 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.75 3h02 s ILE 37 CO 0.07 0.42 -0.17 -0.89 0.00 0.00 0.00 174.94 174.37 3h02 s THR 38 N 1.46 2.51 -0.10 2.92 2.01 -0.69 -1.35 115.64 122.41 3h02 s THR 38 Ca 0.06 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 3h02 s THR 38 Cb -0.14 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 3h02 s THR 38 CO -0.03 0.52 1.32 -0.63 -0.69 0.00 0.00 174.62 175.11 3h02 s ILE 39 N 0.88 4.09 -0.78 1.82 1.01 0.22 -1.01 121.20 127.43 3h02 s ILE 39 Ca -0.04 1.38 0.03 0.00 0.00 0.00 0.00 60.65 62.01 3h02 s ILE 39 Cb -0.15 -3.89 0.27 0.00 0.01 0.00 0.00 42.46 38.70 3h02 s ILE 39 CO -0.02 -0.07 0.98 -3.20 0.00 0.00 0.00 174.94 172.63 3h02 n ASN 40 N 6.13 4.61 -2.91 3.58 5.15 0.91 -0.15 115.26 132.57 3h02 n ASN 40 Ca 0.13 -3.43 -0.13 0.00 -0.60 0.00 0.00 54.58 50.56 3h02 n ASN 40 Cb 0.45 -0.87 0.02 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 1.04 1.06 0.29 1.20 1.74 -1.26 -4.69 116.66 116.04 3h02 n ARG 41 Ca 0.28 -3.04 0.15 0.00 -0.77 0.00 0.00 57.85 54.48 3h02 n ARG 41 Cb 0.38 -1.32 0.89 0.00 -1.02 0.00 0.00 32.46 31.40 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 2.91 0.00 0.00 5.56 0.13 -1.85 0.13 132.00 138.88 3h02 h PRO 42 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3h02 h PRO 42 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3h02 h PRO 42 CO 0.41 0.04 0.00 -0.56 -0.23 0.00 0.00 178.00 177.66 3h02 h GLN 43 N 0.00 0.00 -0.16 0.86 -0.00 -1.96 -1.74 115.11 112.11 3h02 h GLN 43 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.53 3h02 h GLN 43 Cb 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 27.52 3h02 h GLN 43 CO 0.01 0.00 -0.56 1.33 -0.00 0.00 0.00 178.83 179.60 3h02 n VAL 44 N -3.03 2.28 -3.27 1.86 0.24 -0.61 -4.95 118.33 110.85 3h02 n VAL 44 Ca -0.01 -3.45 -0.23 0.00 -2.04 0.00 0.00 64.34 58.61 3h02 n VAL 44 Cb 0.18 -0.43 0.01 0.00 -1.47 0.00 0.00 33.84 32.13 3h02 n VAL 44 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3h02 n ARG 45 N -1.03 -4.07 -3.17 7.34 5.12 -0.65 -1.96 116.66 118.23 3h02 n ARG 45 Ca 0.24 0.63 -0.23 0.00 -1.93 0.00 0.00 57.85 56.57 3h02 n ARG 45 Cb 0.75 -5.41 0.04 0.00 -1.16 0.00 0.00 32.46 26.68 3h02 n ARG 45 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3h02 n ASN 46 N -2.40 -6.03 -4.75 0.55 3.02 0.36 -1.75 115.26 104.25 3h02 n ASN 46 Ca -0.05 -0.35 -0.34 0.00 -0.03 0.00 0.00 54.58 53.81 3h02 n ASN 46 Cb 0.57 -4.85 0.06 0.00 -0.61 0.00 0.00 39.78 34.95 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 -3.20 2.35 0.07 5.41 0.00 -0.83 -3.87 121.76 121.69 3h02 s ALA 47 Ca 0.37 0.72 0.03 0.00 0.00 0.00 0.00 51.96 53.08 3h02 s ALA 47 Cb -0.17 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3h02 s ALA 47 CO 0.46 -1.47 0.08 -0.59 0.00 0.00 0.00 175.76 174.24 3h02 s PHE 48 N -2.12 3.20 0.40 0.00 -0.12 -0.25 -4.83 117.98 114.26 3h02 s PHE 48 Ca 0.71 0.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.72 3h02 s PHE 48 Cb -0.25 -1.63 -0.06 0.00 -0.63 0.00 0.00 43.02 40.45 3h02 s PHE 48 CO 0.41 0.52 0.03 -0.98 -0.05 0.00 0.00 175.22 175.16 3h02 s ARG 49 N -2.31 1.91 0.31 1.99 1.70 -1.26 -0.34 118.95 120.95 3h02 s ARG 49 Ca 0.28 -2.11 0.07 0.00 -0.47 0.00 0.00 55.73 53.51 3h02 s ARG 49 Cb -0.12 -1.29 0.79 0.00 -0.57 0.00 0.00 34.95 33.76 3h02 s ARG 49 CO 0.21 -0.19 1.77 -1.35 -1.08 0.00 0.00 175.30 174.66 3h02 h PRO 50 N 1.80 0.68 -0.57 3.89 0.11 -1.99 -0.65 132.00 135.27 3h02 h PRO 50 Ca -0.42 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3h02 h PRO 50 Cb 1.26 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3h02 h PRO 50 CO 0.74 0.45 0.25 1.25 -0.21 0.00 0.00 178.00 180.48 3h02 h LEU 51 N 0.70 0.76 -0.59 2.35 5.85 -1.99 -1.37 115.31 121.03 3h02 h LEU 51 Ca 0.59 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.23 3h02 h LEU 51 Cb 0.99 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 3h02 h LEU 51 CO -0.39 0.70 0.29 0.74 -0.34 0.00 0.00 178.44 179.44 3h02 h THR 52 N 0.77 0.89 -0.16 1.05 2.02 -1.52 -1.04 112.91 114.93 3h02 h THR 52 Ca 0.19 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3h02 h THR 52 Cb 0.16 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3h02 h THR 52 CO -0.02 0.10 0.07 0.58 0.37 0.00 0.00 175.52 176.61 3h02 h VAL 53 N 0.53 1.15 -0.92 3.16 2.07 -1.03 -2.76 116.25 118.45 3h02 h VAL 53 Ca 0.28 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.45 3h02 h VAL 53 Cb 0.24 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3h02 h VAL 53 CO -0.22 0.14 0.57 0.11 0.02 0.00 0.00 177.57 178.19 3h02 h LYS 54 N 0.11 0.95 -1.34 1.57 1.57 -0.75 -0.11 116.57 118.57 3h02 h LYS 54 Ca 0.05 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h02 h LYS 54 Cb 0.16 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3h02 h LYS 54 CO -0.01 0.63 0.00 0.39 -0.57 0.00 0.00 179.45 179.90 3h02 n GLU 55 N -4.62 0.51 0.00 3.15 1.02 -0.44 -1.90 120.64 118.36 3h02 n GLU 55 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3h02 n GLU 55 Cb 0.25 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.67 0.00 -0.20 -3.67 5.41 -0.05 -0.98 119.36 120.54 3h02 n ILE 57 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 3h02 n ILE 57 Cb 0.24 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.19 3h02 n ILE 57 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3h02 h GLN 58 N 0.00 0.80 -0.68 0.38 4.15 -1.63 -1.20 115.11 116.93 3h02 h GLN 58 Ca 0.00 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 3h02 h GLN 58 Cb 0.00 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 3h02 h GLN 58 CO 0.00 0.66 0.22 0.00 -1.93 0.00 0.00 178.83 177.77 3h02 h ALA 59 N 1.11 0.88 -0.55 3.38 0.00 -1.34 -1.06 119.26 121.68 3h02 h ALA 59 Ca 0.19 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3h02 h ALA 59 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3h02 h ALA 59 CO -0.02 0.56 -0.02 1.25 0.00 0.00 0.00 179.25 181.01 3h02 h LEU 60 N 0.98 0.96 -0.96 0.00 5.85 -1.76 -0.11 115.31 120.28 3h02 h LEU 60 Ca 0.22 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3h02 h LEU 60 Cb 0.29 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3h02 h LEU 60 CO -0.01 1.05 0.59 0.00 -0.34 0.00 0.00 178.44 179.73 3h02 h ALA 61 N 0.95 1.22 -0.26 1.25 0.00 -1.02 0.98 119.26 122.38 3h02 h ALA 61 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h02 h ALA 61 Cb 0.56 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3h02 h ALA 61 CO 0.03 0.67 0.08 0.22 0.00 0.00 0.00 179.25 180.25 3h02 h ASP 62 N 1.32 0.39 -0.79 0.00 3.58 -0.73 -1.64 116.42 118.55 3h02 h ASP 62 Ca 0.35 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.60 3h02 h ASP 62 Cb -0.07 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 40.84 3h02 h ASP 62 CO -0.07 0.49 0.52 0.00 -2.88 0.00 0.00 179.24 177.31 3h02 h ALA 63 N 0.91 1.45 -0.35 -0.78 0.00 -0.47 -0.74 119.26 119.29 3h02 h ALA 63 Ca 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3h02 h ALA 63 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3h02 h ALA 63 CO -0.00 0.50 0.11 -0.09 0.00 0.00 0.00 179.25 179.76 3h02 h ARG 64 N 1.05 0.54 -0.01 0.00 2.43 -0.52 -2.94 114.38 114.93 3h02 h ARG 64 Ca 0.29 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3h02 h ARG 64 Cb -0.09 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3h02 h ARG 64 CO -0.07 0.56 0.00 0.66 -1.51 0.00 0.00 179.97 179.62 3h02 n TYR 65 N -4.65 0.00 -2.88 2.20 4.01 -0.64 -4.71 117.16 110.49 3h02 n TYR 65 Ca -0.01 -0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 3h02 n TYR 65 Cb 0.17 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.99 6.32 0.55 7.72 -1.08 -0.33 -4.90 116.67 122.95 3h02 s ASP 66 Ca 0.44 -0.45 0.26 0.00 -0.52 0.00 0.00 52.55 52.28 3h02 s ASP 66 Cb 0.21 -2.42 1.44 0.00 -1.46 0.00 0.00 42.92 40.70 3h02 s ASP 66 CO 0.35 -1.19 2.00 -0.78 0.52 0.00 0.00 175.17 176.07 3h02 h ASP 67 N 9.28 0.00 0.84 -0.34 3.58 -1.86 0.08 116.42 127.99 3h02 h ASP 67 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3h02 h ASP 67 Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.13 3h02 h ASP 67 CO 1.08 0.00 -0.01 0.59 -2.88 0.00 0.00 179.24 178.02 3h02 n ASN 68 N -4.22 0.01 -4.72 2.28 3.02 -1.26 -4.78 115.26 105.60 3h02 n ASN 68 Ca 0.08 0.25 -0.35 0.00 -0.03 0.00 0.00 54.58 54.54 3h02 n ASN 68 Cb 0.58 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 39.26 3h02 n ASN 68 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h02 s VAL 69 N -2.85 5.39 -0.02 2.41 1.01 0.01 -3.97 120.40 122.40 3h02 s VAL 69 Ca 0.19 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.43 3h02 s VAL 69 Cb 0.19 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 3h02 s VAL 69 CO 0.51 0.42 0.11 0.61 0.00 0.00 0.00 175.10 176.74 3h02 n GLY 70 N 3.68 -0.26 3.08 4.51 0.00 -0.12 -4.90 105.19 111.18 3h02 n GLY 70 Ca -0.16 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 3h02 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h02 s VAL 71 N -2.35 0.07 -0.08 1.61 1.01 -1.12 -4.03 120.40 115.50 3h02 s VAL 71 Ca -0.02 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3h02 s VAL 71 Cb 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 3h02 s VAL 71 CO 0.24 -0.31 -0.23 -0.63 0.00 0.00 0.00 175.10 174.17 3h02 s ILE 72 N -1.08 1.91 -0.12 2.22 1.01 -0.41 -0.78 121.20 123.94 3h02 s ILE 72 Ca -0.12 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.54 3h02 s ILE 72 Cb -0.06 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 3h02 s ILE 72 CO 0.01 0.53 0.02 -0.63 0.00 0.00 0.00 174.94 174.87 3h02 s ILE 73 N 0.19 4.41 -0.12 2.92 1.01 0.77 0.03 121.20 130.41 3h02 s ILE 73 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.34 3h02 s ILE 73 Cb -0.16 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 3h02 s ILE 73 CO 0.06 0.55 -0.13 -0.22 0.00 0.00 0.00 174.94 175.20 3h02 s LEU 74 N -0.35 2.74 0.36 2.97 2.96 0.03 -0.44 118.68 126.95 3h02 s LEU 74 Ca 0.07 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 3h02 s LEU 74 Cb -0.12 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 45.00 3h02 s LEU 74 CO 0.02 0.19 0.69 0.28 -1.32 0.00 0.00 176.35 176.21 3h02 s THR 75 N 0.21 0.00 0.12 3.68 -1.32 -0.46 -4.35 115.64 113.52 3h02 s THR 75 Ca -0.08 -1.17 0.11 0.00 -1.21 0.00 0.00 61.69 59.33 3h02 s THR 75 Cb -0.15 -2.72 -0.04 0.00 -1.51 0.00 0.00 72.50 68.08 3h02 s THR 75 CO 0.05 0.00 -0.26 -0.83 -2.21 0.00 0.00 174.62 171.37 3h02 s GLY 76 N -3.10 1.56 0.26 6.08 0.00 -1.24 -0.61 107.32 110.27 3h02 s GLY 76 Ca 0.19 -1.43 -0.31 0.00 0.00 0.00 0.00 44.72 43.18 3h02 s GLY 76 CO 0.13 -1.39 1.64 1.85 0.00 0.00 0.00 173.10 175.33 3h02 s GLU 77 N -1.94 4.13 0.44 2.90 2.56 0.78 -4.79 118.70 122.78 3h02 s GLU 77 Ca 0.14 2.58 0.00 0.00 0.00 0.00 0.00 54.97 57.69 3h02 s GLU 77 Cb -0.10 -3.05 0.00 0.00 2.00 0.00 0.00 34.13 32.98 3h02 s GLU 77 CO 0.06 -0.67 0.00 0.41 -0.56 0.00 0.00 175.26 174.49 3h02 n GLY 78 N 2.88 -2.28 0.05 -1.50 0.00 -1.26 -4.55 105.19 98.53 3h02 n GLY 78 Ca 0.11 -1.54 0.10 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.03 1.06 0.11 1.61 8.00 -1.26 -4.49 116.55 121.55 3h02 n ASP 79 Ca 0.00 -1.00 0.10 0.00 0.71 0.00 0.00 54.79 54.60 3h02 n ASP 79 Cb 0.00 0.90 0.01 0.00 -0.02 0.00 0.00 41.12 42.01 3h02 n ASP 79 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3h02 h LYS 80 N 0.23 0.00 -2.00 -1.24 6.56 -1.82 -3.25 116.57 115.05 3h02 h LYS 80 Ca 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 3h02 h LYS 80 Cb 0.52 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 31.98 3h02 h LYS 80 CO 0.00 0.06 0.15 0.00 -2.06 0.00 0.00 179.45 177.60 3h02 s ALA 81 N -3.27 -1.78 -0.11 3.86 0.00 -1.16 -2.03 121.76 117.28 3h02 s ALA 81 Ca 0.00 1.78 -0.05 0.00 0.00 0.00 0.00 51.96 53.69 3h02 s ALA 81 Cb 0.09 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3h02 s ALA 81 CO 0.78 -0.35 -0.10 0.35 0.00 0.00 0.00 175.76 176.44 3h02 h PHE 82 N 4.29 0.00 -1.25 0.00 3.57 -0.27 -3.38 116.94 119.90 3h02 h PHE 82 Ca -0.28 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.36 3h02 h PHE 82 Cb 1.15 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.67 3h02 h PHE 82 CO 0.39 0.00 0.07 0.00 -2.23 0.00 0.00 178.31 176.53 3h02 n ALA 84 N 5.20 2.62 0.00 0.00 0.00 -0.72 -2.10 120.51 125.51 3h02 n ALA 84 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3h02 n ALA 84 Cb 0.51 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.00 -0.09 3.77 0.00 0.00 -1.14 -4.59 105.19 104.15 3h02 n GLY 85 Ca 0.19 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 3h02 n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h02 s GLY 86 N 0.00 2.80 -0.05 -0.02 0.00 -1.26 -1.09 107.32 107.69 3h02 s GLY 86 Ca 0.00 0.84 -0.05 0.00 0.00 0.00 0.00 44.72 45.50 3h02 s GLY 86 CO 0.00 1.30 0.63 -1.80 0.00 0.00 0.00 173.10 173.24 3h02 h ASP 87 N 2.51 0.44 0.00 1.64 1.82 -1.01 -3.45 116.42 118.37 3h02 h ASP 87 Ca -0.49 -0.74 0.00 0.00 -0.39 0.00 0.00 57.03 55.42 3h02 h ASP 87 Cb 1.23 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.10 3h02 h ASP 87 CO 0.62 1.64 0.00 1.57 -1.61 0.00 0.00 179.24 181.46 3h02 n HIS 105 N -3.47 0.00 -0.91 0.28 -0.00 -1.26 -5.02 115.22 104.84 3h02 n HIS 105 Ca -0.24 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.02 3h02 n HIS 105 Cb 1.06 0.00 0.30 0.00 -0.12 0.00 0.00 29.99 31.23 3h02 n HIS 105 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3h02 n LEU 106 N 0.00 4.38 0.15 0.27 4.32 -1.26 -4.44 117.00 120.42 3h02 n LEU 106 Ca 0.00 -2.92 0.12 0.00 -0.02 0.00 0.00 56.01 53.19 3h02 n LEU 106 Cb 0.00 -0.57 0.53 0.00 -1.62 0.00 0.00 43.42 41.76 3h02 n LEU 106 CO 0.00 0.67 0.86 -0.46 -1.22 0.00 0.00 177.39 177.24 3h02 n ASN 107 N -0.08 0.68 0.29 -1.43 6.94 -1.26 -1.77 115.26 118.63 3h02 n ASN 107 Ca 0.23 0.70 0.14 0.00 -0.02 0.00 0.00 54.58 55.63 3h02 n ASN 107 Cb 0.95 -0.83 0.87 0.00 -2.36 0.00 0.00 39.78 38.41 3h02 n ASN 107 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 3h02 h VAL 108 N 0.00 0.58 -0.56 3.53 3.04 -1.97 -0.99 116.25 119.87 3h02 h VAL 108 Ca 0.00 -0.07 -0.05 0.00 -1.01 0.00 0.00 66.70 65.57 3h02 h VAL 108 Cb 0.27 1.04 -0.03 0.00 -2.01 0.00 0.00 31.29 30.57 3h02 h VAL 108 CO 0.00 0.02 0.15 -0.07 -1.01 0.00 0.00 177.57 176.66 3h02 h LEU 109 N 0.00 0.80 -0.40 3.16 3.38 -1.71 0.44 115.31 120.97 3h02 h LEU 109 Ca -0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3h02 h LEU 109 Cb 0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3h02 h LEU 109 CO 0.00 0.77 0.14 0.44 0.09 0.00 0.00 178.44 179.89 3h02 h ASP 110 N 0.83 0.57 -0.89 -0.43 3.32 -1.37 -2.14 116.42 116.31 3h02 h ASP 110 Ca 0.18 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3h02 h ASP 110 Cb 0.28 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 3h02 h ASP 110 CO -0.00 0.60 0.50 0.15 -1.72 0.00 0.00 179.24 178.77 3h02 h PHE 111 N 0.51 1.21 -0.15 4.55 3.57 -1.14 0.89 116.94 126.38 3h02 h PHE 111 Ca 0.13 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.64 3h02 h PHE 111 Cb 0.22 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3h02 h PHE 111 CO 0.01 0.83 -0.03 1.96 -2.23 0.00 0.00 178.31 178.85 3h02 h GLN 112 N 1.24 0.01 -0.82 1.11 4.20 -0.76 -0.57 115.11 119.52 3h02 h GLN 112 Ca 0.32 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.08 3h02 h GLN 112 Cb 0.01 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 3h02 h GLN 112 CO -0.05 0.01 0.54 0.00 -0.67 0.00 0.00 178.83 178.65 3h02 h ARG 113 N 0.01 0.91 -0.49 1.46 3.08 -0.64 -1.79 114.38 116.92 3h02 h ARG 113 Ca 0.07 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 3h02 h ARG 113 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3h02 h ARG 113 CO -0.15 0.60 -0.19 0.37 -1.07 0.00 0.00 179.97 179.54 3h02 h GLN 114 N 0.94 0.98 -0.48 0.04 4.15 -0.06 -1.77 115.11 118.92 3h02 h GLN 114 Ca 0.34 -0.40 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 3h02 h GLN 114 Cb 0.16 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3h02 h GLN 114 CO -0.12 1.07 0.13 0.82 -1.93 0.00 0.00 178.83 178.80 3h02 h ILE 115 N 0.85 1.23 -0.13 2.39 2.04 -0.61 -2.50 117.51 120.80 3h02 h ILE 115 Ca 0.12 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.20 3h02 h ILE 115 Cb 0.75 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3h02 h ILE 115 CO 0.06 0.29 -0.09 -0.09 0.00 0.00 0.00 178.15 178.32 3h02 h ARG 116 N 0.64 -0.09 -0.03 2.37 9.65 -1.19 -3.07 114.38 122.67 3h02 h ARG 116 Ca 0.15 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3h02 h ARG 116 Cb 0.31 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3h02 h ARG 116 CO -0.00 -0.06 0.00 0.25 2.80 0.00 0.00 179.97 182.96 3h02 n THR 117 N -5.23 0.02 -1.99 0.20 -2.24 -0.68 -4.88 114.28 99.48 3h02 n THR 117 Ca -0.03 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 3h02 n THR 117 Cb 0.15 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 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 4.99 0.96 -4.55 0.00 -0.04 -1.26 -4.73 135.00 130.37 3h02 n PRO 119 Ca 0.15 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 3h02 n PRO 119 Cb 0.41 -1.24 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.50 1.21 0.38 0.54 1.02 -1.26 -4.21 119.74 115.93 3h02 s LYS 120 Ca 0.00 -0.83 -0.27 0.00 0.02 0.00 0.00 55.97 54.89 3h02 s LYS 120 Cb 0.00 -1.27 -0.11 0.00 -0.52 0.00 0.00 37.83 35.93 3h02 s LYS 120 CO 0.00 0.32 1.42 -2.30 -0.92 0.00 0.00 175.35 173.87 3h02 n PRO 121 N 1.97 2.44 -4.92 -1.68 -0.02 -1.26 -4.82 135.00 126.71 3h02 n PRO 121 Ca -0.17 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 3h02 n PRO 121 Cb 0.54 -2.57 -0.16 0.00 -0.02 0.00 0.00 33.50 31.29 3h02 n PRO 121 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h02 s VAL 122 N -1.13 2.30 -0.15 -1.45 1.01 -1.26 -1.29 120.40 118.43 3h02 s VAL 122 Ca 0.55 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3h02 s VAL 122 Cb -0.50 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3h02 s VAL 122 CO 0.62 0.55 -0.18 -0.69 0.00 0.00 0.00 175.10 175.39 3h02 s VAL 123 N 0.52 2.35 0.00 2.92 1.01 0.10 -0.69 120.40 126.62 3h02 s VAL 123 Ca -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3h02 s VAL 123 Cb -0.17 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3h02 s VAL 123 CO 0.05 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.68 3h02 n ALA 124 N 4.14 0.00 0.00 5.51 0.00 0.21 -0.79 120.51 129.59 3h02 n ALA 124 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3h02 n ALA 124 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.71 0.00 -4.62 0.00 0.31 -0.27 -0.74 118.33 111.31 3h02 n VAL 126 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 3h02 n VAL 126 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 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 2.83 0.00 3.52 0.00 -1.26 -1.05 121.76 125.80 3h02 s ALA 127 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3h02 s ALA 127 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.79 3h02 s ALA 127 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.49 3h02 n GLY 128 N 3.21 1.34 3.71 0.00 0.00 -1.23 -1.82 105.19 110.41 3h02 n GLY 128 Ca -0.18 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 3.08 -0.40 1.61 2.02 -0.86 -1.39 117.35 121.41 3h02 s TYR 129 Ca 0.00 0.80 0.01 0.00 -0.37 0.00 0.00 57.07 57.51 3h02 s TYR 129 Cb 0.00 -3.76 0.13 0.00 -0.40 0.00 0.00 41.96 37.92 3h02 s TYR 129 CO 0.00 -2.78 0.20 0.45 -1.57 0.00 0.00 175.55 171.85 3h02 s SER 130 N 1.33 3.64 0.09 2.29 0.15 -0.10 -1.00 113.70 120.11 3h02 s SER 130 Ca 0.67 -2.36 0.07 0.00 0.70 0.00 0.00 55.95 55.03 3h02 s SER 130 Cb -0.38 -0.91 -0.03 0.00 -1.71 0.00 0.00 66.02 62.98 3h02 s SER 130 CO 0.30 -0.30 -0.17 -0.63 1.20 0.00 0.00 173.24 173.64 3h02 s ILE 131 N 0.72 1.40 0.00 6.45 -1.09 -0.89 -2.81 121.20 124.98 3h02 s ILE 131 Ca 0.16 -1.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.13 3h02 s ILE 131 Cb -0.23 -1.33 0.00 0.00 -1.58 0.00 0.00 42.46 39.32 3h02 s ILE 131 CO -0.05 -0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.10 3h02 n GLY 132 N 1.12 3.61 0.33 6.18 0.00 -0.38 -0.36 105.19 115.69 3h02 n GLY 132 Ca -0.20 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 2.00 -0.02 0.00 -1.90 0.95 103.07 104.10 3h02 h GLY 133 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3h02 h GLY 133 CO 0.00 0.00 -0.31 -1.33 0.00 0.00 0.00 176.54 174.90 3h02 h GLY 134 N 0.00 0.00 1.18 4.60 0.00 -0.87 -2.45 103.07 105.53 3h02 h GLY 134 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.20 3h02 h GLY 134 CO -0.00 0.00 -1.15 0.84 0.00 0.00 0.00 176.54 176.23 3h02 h HIS 135 N 0.00 0.99 -0.71 5.60 6.17 -0.62 -3.03 115.15 123.55 3h02 h HIS 135 Ca -0.00 -0.60 -0.03 0.00 0.71 0.00 0.00 60.37 60.45 3h02 h HIS 135 Cb 0.75 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.56 3h02 h HIS 135 CO 0.00 1.44 0.33 0.28 0.71 0.00 0.00 177.93 180.69 3h02 h VAL 136 N 0.26 1.23 -0.43 5.26 2.07 -1.37 -2.39 116.25 120.89 3h02 h VAL 136 Ca -0.17 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.71 3h02 h VAL 136 Cb 1.82 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3h02 h VAL 136 CO 0.22 0.28 0.24 -0.07 0.02 0.00 0.00 177.57 178.26 3h02 h LEU 137 N 1.01 0.38 -8.14 2.57 3.38 -1.42 -3.43 115.31 109.65 3h02 h LEU 137 Ca 0.24 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.98 3h02 h LEU 137 Cb 0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3h02 h LEU 137 CO -0.03 0.27 0.68 -1.38 0.09 0.00 0.00 178.44 178.07 3h02 s HIS 138 N -6.15 1.71 0.00 1.13 -3.43 -0.90 -5.00 115.29 102.65 3h02 s HIS 138 Ca -0.13 0.93 0.00 0.00 -0.80 0.00 0.00 55.06 55.06 3h02 s HIS 138 Cb 0.12 -3.87 0.00 0.00 -1.43 0.00 0.00 32.58 27.39 3h02 s HIS 138 CO 0.72 -1.43 0.00 0.00 -2.00 0.00 0.00 174.74 172.04 3h02 h ASP 142 N 0.00 0.33 -3.60 0.00 3.32 -1.28 -3.44 116.42 111.74 3h02 h ASP 142 Ca 0.00 0.02 -0.40 0.00 0.02 0.00 0.00 57.03 56.67 3h02 h ASP 142 Cb 0.00 -0.04 -0.15 0.00 0.22 0.00 0.00 39.33 39.36 3h02 h ASP 142 CO 0.00 0.24 -0.73 -0.76 -1.72 0.00 0.00 179.24 176.27 3h02 s LEU 143 N -10.25 2.53 -0.07 1.55 1.43 -1.13 -5.05 118.68 107.69 3h02 s LEU 143 Ca -0.13 -0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3h02 s LEU 143 Cb 0.12 -0.54 0.03 0.00 0.03 0.00 0.00 46.19 45.83 3h02 s LEU 143 CO 0.72 -0.23 -0.02 -0.89 0.23 0.00 0.00 176.35 176.17 3h02 s THR 144 N -2.99 0.51 -0.29 5.49 2.01 -1.26 -0.62 115.64 118.49 3h02 s THR 144 Ca 0.19 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.10 3h02 s THR 144 Cb -0.00 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 3h02 s THR 144 CO 0.04 0.27 0.13 -0.63 -0.69 0.00 0.00 174.62 173.74 3h02 s ILE 145 N 1.71 4.62 -0.02 1.82 -1.09 0.08 -0.70 121.20 127.61 3h02 s ILE 145 Ca 0.02 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.21 3h02 s ILE 145 Cb -0.13 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 3h02 s ILE 145 CO -0.05 0.18 -0.08 0.00 -1.23 0.00 0.00 174.94 173.76 3h02 s ALA 146 N 1.64 2.96 0.54 9.38 0.00 -0.41 -1.11 121.76 134.75 3h02 s ALA 146 Ca 0.05 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 3h02 s ALA 146 Cb -0.16 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 3h02 s ALA 146 CO 0.06 0.60 0.91 0.00 0.00 0.00 0.00 175.76 177.33 3h02 s ALA 147 N -0.93 3.23 0.56 0.00 0.00 -0.22 -0.75 121.76 123.65 3h02 s ALA 147 Ca 0.15 -0.22 0.26 0.00 0.00 0.00 0.00 51.96 52.15 3h02 s ALA 147 Cb -0.11 -2.87 1.48 0.00 0.00 0.00 0.00 23.12 21.62 3h02 s ALA 147 CO 0.05 -0.44 2.04 0.93 0.00 0.00 0.00 175.76 178.34 3h02 h GLU 148 N 0.18 0.00 -0.28 0.00 4.39 -1.60 -0.79 114.58 116.49 3h02 h GLU 148 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3h02 h GLU 148 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3h02 h GLU 148 CO 0.62 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.74 3h02 n ASN 149 N -4.13 1.96 -4.77 1.42 6.94 -1.26 -4.49 115.26 110.94 3h02 n ASN 149 Ca 0.05 -1.85 -0.40 0.00 -0.02 0.00 0.00 54.58 52.36 3h02 n ASN 149 Cb 0.46 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.67 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 -1.64 3.36 -0.04 -2.53 0.00 -0.30 -3.56 121.76 117.05 3h02 s ALA 150 Ca 0.30 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.39 3h02 s ALA 150 Cb 0.16 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3h02 s ALA 150 CO 0.23 -0.53 -0.12 0.42 0.00 0.00 0.00 175.76 175.76 3h02 s ILE 151 N -1.23 1.09 0.07 0.00 1.09 -0.48 -2.17 121.20 119.57 3h02 s ILE 151 Ca 0.51 -0.50 0.07 0.00 -1.10 0.00 0.00 60.65 59.63 3h02 s ILE 151 Cb -0.36 -0.96 -0.03 0.00 -1.06 0.00 0.00 42.46 40.05 3h02 s ILE 151 CO 0.46 0.33 -0.20 -0.36 -0.10 0.00 0.00 174.94 175.08 3h02 s PHE 152 N 0.31 1.70 0.00 3.97 0.08 0.80 -0.92 117.98 123.92 3h02 s PHE 152 Ca -0.07 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.58 3h02 s PHE 152 Cb -0.12 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.37 3h02 s PHE 152 CO 0.02 0.14 0.00 0.41 -0.10 0.00 0.00 175.22 175.69 3h02 n GLY 153 N 1.42 1.65 3.84 4.36 0.00 -1.12 0.95 105.19 116.28 3h02 n GLY 153 Ca -0.19 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 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 2.75 0.00 1.61 -1.52 -1.26 -1.25 119.66 117.99 3h02 s GLN 154 Ca 0.00 -1.24 0.00 0.00 -1.95 0.00 0.00 55.36 52.17 3h02 s GLN 154 Cb 0.00 -2.48 0.00 0.00 -0.22 0.00 0.00 33.01 30.31 3h02 s GLN 154 CO 0.00 0.18 0.00 0.25 -0.25 0.00 0.00 175.29 175.47 3h02 n THR 155 N -1.30 0.00 0.00 -0.19 -2.24 -1.26 -4.57 114.28 104.72 3h02 n THR 155 Ca -0.04 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3h02 n THR 155 Cb 0.59 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.18 -1.72 0.34 3.38 0.00 -1.26 -0.69 105.19 105.41 3h02 n GLY 156 Ca 0.00 0.33 0.17 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.03 1.61 0.11 -1.68 0.59 132.00 132.60 3h02 h PRO 157 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 3h02 h PRO 157 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3h02 h PRO 157 CO 0.00 0.00 -0.71 -0.22 -0.21 0.00 0.00 178.00 176.86 3h02 h LYS 158 N 0.00 0.19 -0.20 1.05 3.64 -1.22 -3.24 116.57 116.79 3h02 h LYS 158 Ca 0.11 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3h02 h LYS 158 Cb 0.56 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 3h02 h LYS 158 CO -0.00 0.82 -0.13 0.28 -2.27 0.00 0.00 179.45 178.15 3h02 n VAL 159 N -3.78 2.32 -3.45 2.00 0.31 -0.12 -4.98 118.33 110.63 3h02 n VAL 159 Ca -0.03 -2.59 -0.17 0.00 -0.01 0.00 0.00 64.34 61.55 3h02 n VAL 159 Cb 0.69 -0.28 0.09 0.00 -0.91 0.00 0.00 33.84 33.43 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 -1.05 -0.36 3.28 2.92 0.00 0.22 -4.99 105.19 105.21 3h02 n GLY 160 Ca 0.25 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 3h02 n GLY 160 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3h02 n SER 161 N -3.12 -1.22 -3.64 1.61 2.88 0.18 -4.96 113.62 105.36 3h02 n SER 161 Ca -0.29 -2.92 -0.03 0.00 -1.33 0.00 0.00 58.87 54.31 3h02 n SER 161 Cb 0.67 2.34 -0.04 0.00 -0.75 0.00 0.00 64.21 66.43 3h02 n SER 161 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3h02 s PHE 162 N -3.02 -0.06 -0.43 0.66 -0.12 -1.26 -1.97 117.98 111.78 3h02 s PHE 162 Ca 0.31 0.08 0.04 0.00 -0.05 0.00 0.00 56.93 57.31 3h02 s PHE 162 Cb -0.00 0.50 0.12 0.00 -0.63 0.00 0.00 43.02 43.00 3h02 s PHE 162 CO 0.22 -0.06 0.16 0.34 -0.05 0.00 0.00 175.22 175.82 3h02 s ASP 163 N -1.27 4.53 0.00 1.98 -1.08 -1.26 -4.97 116.67 114.60 3h02 s ASP 163 Ca 0.09 -2.58 0.21 0.00 -0.52 0.00 0.00 52.55 49.74 3h02 s ASP 163 Cb -0.01 -1.62 0.76 0.00 -1.46 0.00 0.00 42.92 40.58 3h02 s ASP 163 CO -0.06 -0.31 1.55 0.61 0.52 0.00 0.00 175.17 177.48 3h02 n GLY 164 N 3.68 0.25 0.00 2.66 0.00 -1.26 -2.93 105.19 107.59 3h02 n GLY 164 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.12 0.77 0.23 -0.02 0.00 -1.26 -4.48 105.19 101.55 3h02 n GLY 165 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.33 1.61 6.55 -1.97 -1.95 115.95 119.85 3h02 h TRP 166 Ca 0.00 0.00 0.10 0.00 0.95 0.00 0.00 58.89 59.94 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 0.21 0.32 0.78 -1.05 0.00 0.00 178.44 178.70 3h02 h GLY 167 N 0.98 0.00 0.00 1.49 0.00 -1.87 -1.97 103.07 101.69 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 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.54 3h02 n ALA 168 N -2.42 0.79 -0.21 3.60 0.00 -0.79 -4.75 120.51 116.73 3h02 n ALA 168 Ca 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 3h02 n ALA 168 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.03 0.38 0.00 0.00 4.64 -1.52 -1.48 113.55 115.54 3h02 h SER 169 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3h02 h SER 169 Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3h02 h SER 169 CO 0.00 0.24 0.00 0.00 -0.87 0.00 0.00 176.83 176.20 3h02 n TYR 170 N -4.90 0.00 0.00 4.77 9.36 -0.74 -2.31 117.16 123.34 3h02 n TYR 170 Ca 0.08 -0.37 0.00 0.00 3.32 0.00 0.00 57.90 60.94 3h02 n TYR 170 Cb 0.22 -0.28 0.00 0.00 -0.63 0.00 0.00 39.34 38.65 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 1.32 0.00 0.76 2.98 0.00 -0.56 -2.46 120.51 122.56 3h02 n ALA 172 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3h02 n ALA 172 Cb 0.24 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.12 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 0.14 -0.09 0.00 5.12 -0.98 -0.83 116.66 120.02 3h02 n ARG 173 Ca 0.00 0.15 -0.15 0.00 -1.93 0.00 0.00 57.85 55.92 3h02 n ARG 173 Cb 0.00 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 29.75 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 -1.39 1.44 0.73 0.55 5.41 -1.03 -4.79 119.36 120.29 3h02 n ILE 174 Ca 0.07 -0.01 0.08 0.00 1.00 0.00 0.00 62.75 63.89 3h02 n ILE 174 Cb 0.18 -2.13 0.03 0.00 -0.71 0.00 0.00 39.64 37.01 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 -4.28 0.00 0.00 1.39 0.24 -1.24 -4.81 118.33 109.62 3h02 n VAL 175 Ca -0.25 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3h02 n VAL 175 Cb 0.60 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 34.23 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 1.10 0.35 0.28 7.63 0.00 -0.01 -4.45 105.19 110.10 3h02 n GLY 176 Ca 0.08 -1.73 -0.04 0.00 0.00 0.00 0.00 46.02 44.33 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 0.75 -0.07 1.61 1.08 -2.00 -1.72 115.11 114.77 3h02 h GLN 177 Ca 0.00 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 3h02 h GLN 177 Cb 0.00 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 3h02 h GLN 177 CO 0.00 0.78 -0.00 0.87 -0.95 0.00 0.00 178.83 179.53 3h02 h LYS 178 N 0.70 0.11 -0.62 1.46 1.79 -1.96 -2.37 116.57 115.68 3h02 h LYS 178 Ca 0.13 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.49 3h02 h LYS 178 Cb 0.47 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 3h02 h LYS 178 CO 0.02 0.39 0.07 0.87 -1.08 0.00 0.00 179.45 179.72 3h02 h LYS 179 N -0.17 1.03 -0.51 3.15 1.79 -1.77 -2.10 116.57 117.99 3h02 h LYS 179 Ca 0.02 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 3h02 h LYS 179 Cb 0.34 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 3h02 h LYS 179 CO 0.00 0.97 0.31 0.00 -1.08 0.00 0.00 179.45 179.65 3h02 h ALA 180 N 1.11 0.66 -0.60 3.86 0.00 -1.34 -0.25 119.26 122.69 3h02 h ALA 180 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3h02 h ALA 180 Cb 0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3h02 h ALA 180 CO 0.02 0.14 0.18 0.00 0.00 0.00 0.00 179.25 179.58 3h02 h ARG 181 N 0.69 0.91 0.20 0.00 3.08 -1.25 -1.89 114.38 116.12 3h02 h ARG 181 Ca 0.19 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3h02 h ARG 181 Cb -0.02 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3h02 h ARG 181 CO -0.04 0.79 -0.10 1.49 -1.07 0.00 0.00 179.97 181.04 3h02 h GLU 182 N 0.88 -0.26 -0.47 0.04 4.81 -1.04 0.57 114.58 119.11 3h02 h GLU 182 Ca 0.20 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.53 3h02 h GLU 182 Cb 0.26 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.63 3h02 h GLU 182 CO -0.01 0.00 0.04 0.82 -0.73 0.00 0.00 179.01 179.13 3h02 h ILE 183 N -0.51 0.68 -0.03 2.32 2.04 -0.89 -1.34 117.51 119.78 3h02 h ILE 183 Ca -0.03 -0.05 -0.16 0.00 1.00 0.00 0.00 64.86 65.61 3h02 h ILE 183 Cb 0.39 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3h02 h ILE 183 CO 0.05 0.03 -0.62 -0.50 0.00 0.00 0.00 178.15 177.11 3h02 h TRP 184 N 0.16 0.67 -0.14 1.37 4.06 -1.36 -2.61 115.95 118.10 3h02 h TRP 184 Ca 0.24 -0.35 -0.18 0.00 2.06 0.00 0.00 58.89 60.66 3h02 h TRP 184 Cb 0.33 -0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 28.41 3h02 h TRP 184 CO -0.26 1.16 -0.66 0.74 -3.56 0.00 0.00 178.44 175.86 3h02 h PHE 185 N -0.00 0.72 0.00 0.49 -1.00 -0.78 -3.34 116.94 113.03 3h02 h PHE 185 Ca -0.07 -0.29 -0.09 0.00 2.81 0.00 0.00 57.97 60.33 3h02 h PHE 185 Cb 1.31 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.73 3h02 h PHE 185 CO 0.13 1.05 -1.60 1.28 -1.61 0.00 0.00 178.31 177.56 3h02 n LEU 186 N -3.91 0.47 -3.79 1.54 4.32 -0.51 -4.99 117.00 110.13 3h02 n LEU 186 Ca -0.04 0.19 -0.28 0.00 -0.02 0.00 0.00 56.01 55.86 3h02 n LEU 186 Cb 0.67 0.06 0.04 0.00 -1.62 0.00 0.00 43.42 42.57 3h02 n LEU 186 CO 0.49 0.04 0.14 0.00 -1.22 0.00 0.00 177.39 176.84 3h02 s ARG 188 N -6.50 1.92 0.02 0.00 0.52 -1.26 -4.80 118.95 108.85 3h02 s ARG 188 Ca 0.63 0.02 -0.02 0.00 -0.52 0.00 0.00 55.73 55.85 3h02 s ARG 188 Cb -0.31 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 3h02 s ARG 188 CO 0.78 -1.59 0.20 -0.65 0.02 0.00 0.00 175.30 174.05 3h02 s GLN 189 N -5.55 3.45 -0.05 3.54 -0.21 -1.26 -4.28 119.66 115.30 3h02 s GLN 189 Ca 0.62 -0.35 0.04 0.00 0.02 0.00 0.00 55.36 55.70 3h02 s GLN 189 Cb -0.11 -3.07 -0.00 0.00 1.00 0.00 0.00 33.01 30.83 3h02 s GLN 189 CO 0.49 0.65 -0.18 0.71 -2.12 0.00 0.00 175.29 174.84 3h02 s TYR 190 N -1.39 1.78 0.85 0.91 2.02 0.27 -4.93 117.35 116.85 3h02 s TYR 190 Ca 0.30 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.35 3h02 s TYR 190 Cb -0.13 -1.20 0.14 0.00 -0.40 0.00 0.00 41.96 40.37 3h02 s TYR 190 CO 0.22 -0.19 1.19 0.16 -1.57 0.00 0.00 175.55 175.35 3h02 s ASP 191 N 0.10 3.87 0.25 2.29 1.47 -1.26 -0.14 116.67 123.26 3h02 s ASP 191 Ca -0.06 0.30 -0.04 0.00 1.18 0.00 0.00 52.55 53.93 3h02 s ASP 191 Cb -0.12 -0.58 0.35 0.00 -0.34 0.00 0.00 42.92 42.22 3h02 s ASP 191 CO 0.03 -2.24 1.88 0.00 0.68 0.00 0.00 175.17 175.52 3h02 h ALA 192 N -1.17 1.30 -0.27 2.11 0.00 -1.66 -1.13 119.26 118.44 3h02 h ALA 192 Ca -0.43 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3h02 h ALA 192 Cb 1.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3h02 h ALA 192 CO 0.48 0.44 -0.07 0.37 0.00 0.00 0.00 179.25 180.47 3h02 h GLN 193 N 1.15 0.52 -0.83 0.00 5.75 -1.90 -0.98 115.11 118.83 3h02 h GLN 193 Ca 0.40 -0.20 0.04 0.00 -0.15 0.00 0.00 58.65 58.75 3h02 h GLN 193 Cb 0.10 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 3h02 h GLN 193 CO -0.15 0.73 0.52 1.96 -2.65 0.00 0.00 178.83 179.24 3h02 h GLN 194 N 0.27 0.96 -0.40 1.69 4.20 -1.88 0.10 115.11 120.05 3h02 h GLN 194 Ca 0.07 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3h02 h GLN 194 Cb 0.54 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3h02 h GLN 194 CO 0.03 0.63 0.13 0.00 -0.67 0.00 0.00 178.83 178.95 3h02 h ALA 195 N 1.37 0.52 0.03 3.87 0.00 -0.94 -2.96 119.26 121.14 3h02 h ALA 195 Ca 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h02 h ALA 195 Cb 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h02 h ALA 195 CO -0.14 0.16 -0.01 1.25 0.00 0.00 0.00 179.25 180.50 3h02 h LEU 196 N 0.50 -0.03 -1.22 0.00 5.85 -0.83 0.08 115.31 119.66 3h02 h LEU 196 Ca 0.13 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3h02 h LEU 196 Cb 0.24 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3h02 h LEU 196 CO -0.01 0.05 0.00 0.47 -0.34 0.00 0.00 178.44 178.62 3h02 n ASP 197 N -5.07 0.00 -0.48 1.25 8.00 0.32 -4.43 116.55 116.14 3h02 n ASP 197 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3h02 n ASP 197 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.33 0.68 0.10 0.44 0.00 -0.93 -5.10 105.19 100.71 3h02 n GLY 199 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.25 -9.02 0.99 6.46 -1.21 -3.44 115.31 109.34 3h02 h LEU 200 Ca 0.00 -0.23 -0.50 0.00 -0.12 0.00 0.00 57.88 57.02 3h02 h LEU 200 Cb 1.19 -0.08 -0.14 0.00 -0.73 0.00 0.00 40.66 40.91 3h02 h LEU 200 CO 0.00 1.11 -0.73 0.68 -0.62 0.00 0.00 178.44 178.88 3h02 s VAL 201 N -2.92 1.94 -0.02 1.05 -7.23 -1.22 -4.86 120.40 107.14 3h02 s VAL 201 Ca -0.02 -2.26 -0.03 0.00 -1.81 0.00 0.00 61.98 57.86 3h02 s VAL 201 Cb 0.09 -2.17 -0.28 0.00 0.56 0.00 0.00 36.38 34.58 3h02 s VAL 201 CO 0.84 -0.50 0.75 0.78 -0.31 0.00 0.00 175.10 176.66 3h02 h ASN 202 N 2.44 0.40 -5.03 4.85 4.21 -1.23 -3.42 115.58 117.79 3h02 h ASN 202 Ca -0.39 -0.61 -0.04 0.00 1.21 0.00 0.00 56.30 56.48 3h02 h ASN 202 Cb 1.23 -0.13 -0.13 0.00 -1.12 0.00 0.00 38.32 38.17 3h02 h ASN 202 CO 0.62 1.52 0.10 0.28 -1.29 0.00 0.00 177.43 178.65 3h02 s THR 203 N -2.60 0.03 -0.11 2.81 -1.32 -1.22 -5.06 115.64 108.15 3h02 s THR 203 Ca -0.11 -0.22 0.02 0.00 -1.21 0.00 0.00 61.69 60.17 3h02 s THR 203 Cb 0.07 -1.05 0.01 0.00 -1.51 0.00 0.00 72.50 70.02 3h02 s THR 203 CO 0.84 -0.12 -0.18 -0.69 -2.21 0.00 0.00 174.62 172.26 3h02 s VAL 204 N -3.53 1.71 0.19 5.08 1.01 -1.26 -1.28 120.40 122.32 3h02 s VAL 204 Ca 0.01 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3h02 s VAL 204 Cb 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3h02 s VAL 204 CO -0.11 0.48 -0.11 0.68 0.00 0.00 0.00 175.10 176.04 3h02 s VAL 205 N 0.85 1.48 0.55 2.92 -7.23 0.07 -4.94 120.40 114.09 3h02 s VAL 205 Ca -0.08 -2.14 -0.22 0.00 -1.81 0.00 0.00 61.98 57.73 3h02 s VAL 205 Cb -0.15 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 3h02 s VAL 205 CO -0.00 -0.60 1.34 -2.84 -0.31 0.00 0.00 175.10 172.69 3h02 s PRO 206 N -3.71 3.15 0.24 4.82 0.02 -1.26 -1.63 135.00 136.64 3h02 s PRO 206 Ca 0.22 2.19 -0.04 0.00 0.02 0.00 0.00 61.00 63.39 3h02 s PRO 206 Cb 0.01 -2.24 0.45 0.00 0.02 0.00 0.00 34.50 32.74 3h02 s PRO 206 CO 0.05 -1.17 1.74 1.25 -0.33 0.00 0.00 177.00 178.54 3h02 h LEU 207 N 1.45 0.32 -2.22 -5.54 5.85 -1.94 0.27 115.31 113.50 3h02 h LEU 207 Ca -0.51 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3h02 h LEU 207 Cb 1.30 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 3h02 h LEU 207 CO 0.57 0.13 -0.03 0.00 -0.34 0.00 0.00 178.44 178.77 3h02 h ALA 208 N 1.54 1.07 -0.34 1.25 0.00 -2.04 -2.51 119.26 118.24 3h02 h ALA 208 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3h02 h ALA 208 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h02 h ALA 208 CO -0.39 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.65 3h02 n ASP 209 N -3.23 3.04 -0.08 0.00 8.00 0.03 -4.70 116.55 119.62 3h02 n ASP 209 Ca -0.01 -1.89 -0.07 0.00 0.71 0.00 0.00 54.79 53.52 3h02 n ASP 209 Cb 0.19 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 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 3.19 -0.86 -0.54 0.64 5.85 -0.94 0.41 115.31 123.06 3h02 h LEU 210 Ca 0.00 0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 3h02 h LEU 210 Cb 0.80 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3h02 h LEU 210 CO 0.00 -0.29 -0.57 -0.08 -0.34 0.00 0.00 178.44 177.16 3h02 h GLU 211 N -0.23 0.48 -0.22 1.25 4.81 -1.84 -1.67 114.58 117.17 3h02 h GLU 211 Ca 0.16 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3h02 h GLU 211 Cb 0.49 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 3h02 h GLU 211 CO -0.46 0.92 -0.06 0.87 -0.73 0.00 0.00 179.01 179.55 3h02 h LYS 212 N 0.37 -0.01 -0.42 1.92 1.57 -1.67 -1.26 116.57 117.06 3h02 h LYS 212 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3h02 h LYS 212 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3h02 h LYS 212 CO 0.10 -0.01 -0.13 0.93 -0.57 0.00 0.00 179.45 179.78 3h02 h GLU 213 N -0.01 0.83 -0.31 3.15 4.39 -0.85 -1.99 114.58 119.79 3h02 h GLU 213 Ca 0.11 -0.33 0.01 0.00 0.34 0.00 0.00 59.36 59.49 3h02 h GLU 213 Cb 0.18 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3h02 h GLU 213 CO -0.24 0.96 0.19 1.15 -1.16 0.00 0.00 179.01 179.91 3h02 h THR 214 N 0.65 1.06 -0.65 1.13 2.02 -1.13 -1.47 112.91 114.51 3h02 h THR 214 Ca 0.10 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3h02 h THR 214 Cb 0.67 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3h02 h THR 214 CO 0.05 0.07 0.29 0.58 0.37 0.00 0.00 175.52 176.88 3h02 h VAL 215 N 0.39 1.22 0.09 3.16 2.07 -1.16 -0.78 116.25 121.24 3h02 h VAL 215 Ca 0.12 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3h02 h VAL 215 Cb -0.02 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3h02 h VAL 215 CO -0.04 0.26 -0.14 -0.09 0.02 0.00 0.00 177.57 177.58 3h02 h ARG 216 N 0.92 -0.28 -0.64 1.57 2.43 -0.77 0.11 114.38 117.72 3h02 h ARG 216 Ca 0.22 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 3h02 h ARG 216 Cb 0.13 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 3h02 h ARG 216 CO -0.03 -0.18 0.36 -1.49 -1.51 0.00 0.00 179.97 177.12 3h02 h TRP 217 N -0.29 0.67 -0.47 2.20 4.06 -0.88 0.21 115.95 121.45 3h02 h TRP 217 Ca 0.02 0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.00 3h02 h TRP 217 Cb 0.30 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 28.22 3h02 h TRP 217 CO -0.15 0.34 0.30 0.00 -3.56 0.00 0.00 178.44 175.37 3h02 h ARG 219 N 0.61 0.85 -0.53 0.00 3.08 -0.16 0.41 114.38 118.65 3h02 h ARG 219 Ca 0.18 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3h02 h ARG 219 Cb -0.04 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3h02 h ARG 219 CO -0.06 0.71 0.00 0.39 -1.07 0.00 0.00 179.97 179.95 3h02 n GLU 220 N -4.32 0.02 0.00 0.04 1.02 0.01 -2.50 120.64 114.91 3h02 n GLU 220 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3h02 n GLU 220 Cb 0.17 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.62 0.00 0.11 -4.62 4.77 0.13 -3.84 117.00 114.17 3h02 n LEU 222 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3h02 n LEU 222 Cb 0.01 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.46 3h02 n LEU 222 CO 0.00 0.00 0.83 1.56 -1.33 0.00 0.00 177.39 178.45 3h02 h GLN 223 N 0.00 0.00 -6.94 3.23 1.08 -1.77 -3.47 115.11 107.24 3h02 h GLN 223 Ca 0.00 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.74 3h02 h GLN 223 Cb 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.48 3h02 h GLN 223 CO 0.00 0.00 0.05 -0.80 -0.95 0.00 0.00 178.83 177.13 3h02 s ASN 224 N -4.67 5.55 0.03 1.46 0.01 -1.25 -5.02 114.94 111.04 3h02 s ASN 224 Ca 0.10 0.43 -0.30 0.00 -0.71 0.00 0.00 52.86 52.37 3h02 s ASN 224 Cb 0.12 -1.46 -0.08 0.00 0.41 0.00 0.00 41.25 40.24 3h02 s ASN 224 CO 0.62 -1.00 1.74 -0.55 -1.51 0.00 0.00 177.10 176.40 3h02 s SER 225 N -4.31 6.57 0.00 -1.22 0.15 -1.26 -4.98 113.70 108.65 3h02 s SER 225 Ca 0.53 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.65 3h02 s SER 225 Cb -0.10 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3h02 s SER 225 CO 0.41 -0.95 0.23 -0.81 1.20 0.00 0.00 173.24 173.32 3h02 n PRO 226 N 6.56 0.19 0.00 5.44 -0.04 -1.26 -1.63 135.00 144.26 3h02 n PRO 226 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3h02 n PRO 226 Cb 0.41 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3h02 n PRO 226 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h02 n ALA 228 N 1.10 0.00 -0.21 0.55 0.00 -1.26 -1.54 120.51 119.15 3h02 n ALA 228 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3h02 n ALA 228 Cb 0.10 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 0.74 -0.76 0.00 3.38 -1.69 -0.94 115.31 116.05 3h02 h LEU 229 Ca 0.00 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3h02 h LEU 229 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3h02 h LEU 229 CO 0.00 0.62 -0.15 0.08 0.09 0.00 0.00 178.44 179.08 3h02 h ARG 230 N 0.81 0.79 -0.38 1.13 0.11 -1.45 -0.95 114.38 114.43 3h02 h ARG 230 Ca 0.21 -0.28 -0.03 0.00 0.10 0.00 0.00 59.98 59.98 3h02 h ARG 230 Cb 0.04 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 3h02 h ARG 230 CO -0.03 0.89 0.12 0.00 0.10 0.00 0.00 179.97 181.04 3h02 h LEU 232 N 0.47 0.88 -0.42 0.00 3.38 -1.02 -0.71 115.31 117.90 3h02 h LEU 232 Ca 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3h02 h LEU 232 Cb 0.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3h02 h LEU 232 CO -0.00 0.98 0.15 0.50 0.09 0.00 0.00 178.44 180.16 3h02 h LYS 233 N 0.81 0.63 -0.71 1.13 3.64 -1.05 0.12 116.57 121.13 3h02 h LYS 233 Ca 0.14 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3h02 h LYS 233 Cb 0.59 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3h02 h LYS 233 CO 0.04 0.61 0.28 0.00 -2.27 0.00 0.00 179.45 178.10 3h02 h ALA 234 N 1.00 0.93 -0.68 5.00 0.00 -1.02 -0.32 119.26 124.16 3h02 h ALA 234 Ca 0.14 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3h02 h ALA 234 Cb 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3h02 h ALA 234 CO -0.01 0.55 0.14 0.00 0.00 0.00 0.00 179.25 179.94 3h02 h ALA 235 N 1.13 0.96 -0.45 0.00 0.00 -0.82 0.85 119.26 120.93 3h02 h ALA 235 Ca 0.24 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3h02 h ALA 235 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3h02 h ALA 235 CO -0.02 0.66 -0.15 -0.07 0.00 0.00 0.00 179.25 179.67 3h02 h LEU 236 N 1.04 0.92 -1.17 0.00 3.38 -0.50 -2.82 115.31 116.15 3h02 h LEU 236 Ca 0.21 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3h02 h LEU 236 Cb 0.40 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3h02 h LEU 236 CO 0.01 1.09 -0.03 0.78 0.09 0.00 0.00 178.44 180.37 3h02 h ASN 237 N 0.74 0.51 0.38 -0.43 2.35 -0.72 -2.79 115.58 115.61 3h02 h ASN 237 Ca 0.11 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h02 h ASN 237 Cb 0.71 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3h02 h ASN 237 CO 0.05 0.60 0.00 0.00 -1.65 0.00 0.00 177.43 176.43 3h02 h ALA 238 N 1.46 1.00 0.00 -0.83 0.00 -0.58 0.82 119.26 121.14 3h02 h ALA 238 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h02 h ALA 238 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h02 h ALA 238 CO 0.02 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.80 3h02 n ASP 239 N -2.99 0.23 -0.01 0.00 2.03 -1.05 -4.05 116.55 110.71 3h02 n ASP 239 Ca -0.01 0.54 -0.01 0.00 0.52 0.00 0.00 54.79 55.82 3h02 n ASP 239 Cb 0.16 -0.59 -0.01 0.00 -0.72 0.00 0.00 41.12 39.95 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 -2.29 5.14 0.00 0.00 8.00 -0.19 -5.03 116.55 122.18 3h02 n ASP 241 Ca -0.04 -3.09 0.00 0.00 0.71 0.00 0.00 54.79 52.37 3h02 n ASP 241 Cb 0.56 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.14 2.17 0.26 0.44 0.00 -1.26 -1.13 105.19 105.81 3h02 n GLY 242 Ca 0.36 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.30 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 0.07 -0.72 1.61 4.20 -1.96 0.03 115.11 118.34 3h02 h GLN 243 Ca 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3h02 h GLN 243 Cb 0.00 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3h02 h GLN 243 CO 0.00 0.10 0.30 0.00 -0.67 0.00 0.00 178.83 178.55 3h02 h ALA 244 N 1.92 1.17 -0.10 3.87 0.00 -1.56 -0.06 119.26 124.49 3h02 h ALA 244 Ca 0.02 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3h02 h ALA 244 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3h02 h ALA 244 CO 0.00 0.61 -0.67 0.78 0.00 0.00 0.00 179.25 179.97 3h02 h GLY 245 N 1.09 0.44 1.05 0.00 0.00 -0.01 -3.04 103.07 102.61 3h02 h GLY 245 Ca 0.24 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3h02 h GLY 245 CO -0.02 0.52 0.21 1.41 0.00 0.00 0.00 176.54 178.66 3h02 h LEU 246 N 0.29 1.05 -0.71 3.11 3.38 -0.85 -1.41 115.31 120.17 3h02 h LEU 246 Ca -0.02 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.84 3h02 h LEU 246 Cb 1.22 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 3h02 h LEU 246 CO 0.11 0.99 0.33 -0.61 0.09 0.00 0.00 178.44 179.36 3h02 h GLN 247 N 1.06 0.54 0.04 1.13 4.15 -0.92 0.26 115.11 121.36 3h02 h GLN 247 Ca 0.23 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3h02 h GLN 247 Cb 0.32 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3h02 h GLN 247 CO -0.00 0.36 -0.02 0.93 -1.93 0.00 0.00 178.83 178.17 3h02 h GLU 248 N 0.56 -0.05 0.02 1.69 5.08 -1.32 -0.35 114.58 120.22 3h02 h GLU 248 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3h02 h GLU 248 Cb 0.42 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3h02 h GLU 248 CO -0.29 0.15 -0.01 1.25 -1.00 0.00 0.00 179.01 179.11 3h02 h LEU 249 N -0.24 -0.02 -1.37 1.33 5.85 -0.82 -2.01 115.31 118.03 3h02 h LEU 249 Ca -0.00 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 3h02 h LEU 249 Cb 0.22 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3h02 h LEU 249 CO 0.01 0.16 0.03 0.00 -0.34 0.00 0.00 178.44 178.30 3h02 h ALA 250 N 0.77 1.49 -0.88 1.25 0.00 -0.56 -0.89 119.26 120.44 3h02 h ALA 250 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3h02 h ALA 250 Cb 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3h02 h ALA 250 CO 0.00 0.37 0.47 0.78 0.00 0.00 0.00 179.25 180.87 3h02 h GLY 251 N 0.73 1.32 1.55 0.00 0.00 -0.82 0.77 103.07 106.62 3h02 h GLY 251 Ca 0.10 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 3h02 h GLY 251 CO 0.00 0.59 -0.43 3.43 0.00 0.00 0.00 176.54 180.13 3h02 h ASN 252 N 1.24 0.53 -0.66 0.19 2.35 -0.58 -2.89 115.58 115.76 3h02 h ASN 252 Ca 0.31 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3h02 h ASN 252 Cb 0.05 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 3h02 h ASN 252 CO -0.05 0.89 0.23 0.00 -1.65 0.00 0.00 177.43 176.86 3h02 h ALA 253 N 1.13 0.86 0.00 -0.83 0.00 -0.30 0.08 119.26 120.20 3h02 h ALA 253 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h02 h ALA 253 Cb 0.92 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3h02 h ALA 253 CO 0.08 0.51 0.00 2.41 0.00 0.00 0.00 179.25 182.25 3h02 n THR 254 N -4.37 0.02 0.00 0.00 -1.04 0.18 -0.50 114.28 108.57 3h02 n THR 254 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3h02 n THR 254 Cb 0.20 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 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 0.57 0.00 -0.21 -4.42 4.77 0.01 -1.82 117.00 115.90 3h02 n LEU 256 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3h02 n LEU 256 Cb 0.03 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.32 3h02 n LEU 256 CO 0.00 0.00 1.16 0.15 -1.33 0.00 0.00 177.39 177.37 3h02 h PHE 257 N 0.00 0.97 0.00 -1.77 3.57 -1.04 -3.21 116.94 115.45 3h02 h PHE 257 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3h02 h PHE 257 Cb 0.00 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 3h02 h PHE 257 CO 0.00 0.67 0.07 0.66 -2.23 0.00 0.00 178.31 177.48 3h02 n TYR 258 N -4.37 0.00 -0.43 0.41 4.01 -0.76 -3.54 117.16 112.48 3h02 n TYR 258 Ca 0.07 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 3h02 n TYR 258 Cb 0.09 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 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 2.15 0.00 -0.37 -0.72 -2.24 -1.22 -4.37 114.28 107.51 3h02 n THR 260 Ca 0.04 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.82 3h02 n THR 260 Cb 0.18 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.54 1.22 -0.56 -0.78 5.08 -1.96 -1.43 114.58 115.61 3h02 h GLU 261 Ca 0.00 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3h02 h GLU 261 Cb 0.00 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 3h02 h GLU 261 CO 0.00 0.81 0.01 1.49 -1.00 0.00 0.00 179.01 180.32 3h02 h GLU 262 N 1.26 0.98 -0.41 2.33 4.81 -1.97 -1.97 114.58 119.62 3h02 h GLU 262 Ca 0.40 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3h02 h GLU 262 Cb 0.02 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3h02 h GLU 262 CO -0.13 0.98 0.22 0.78 -0.73 0.00 0.00 179.01 180.13 3h02 h GLY 263 N 0.87 0.61 2.00 1.92 0.00 -1.53 -2.96 103.07 103.98 3h02 h GLY 263 Ca 0.16 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3h02 h GLY 263 CO 0.03 0.27 -0.02 1.46 0.00 0.00 0.00 176.54 178.27 3h02 h GLN 264 N 0.53 0.00 -0.74 4.80 4.20 -0.86 -2.57 115.11 120.47 3h02 h GLN 264 Ca 0.14 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.93 3h02 h GLN 264 Cb 0.06 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 3h02 h GLN 264 CO -0.02 0.02 0.49 1.49 -0.67 0.00 0.00 178.83 180.14 3h02 h GLU 265 N 0.00 0.70 0.03 1.46 4.57 -1.19 0.47 114.58 120.62 3h02 h GLU 265 Ca -0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3h02 h GLU 265 Cb 0.15 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3h02 h GLU 265 CO 0.00 0.46 -0.02 0.78 -1.18 0.00 0.00 179.01 179.06 3h02 h GLY 266 N 0.72 -0.05 1.02 1.92 0.00 -1.63 0.33 103.07 105.38 3h02 h GLY 266 Ca 0.33 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 3h02 h GLY 266 CO -0.12 -0.02 0.02 3.21 0.00 0.00 0.00 176.54 179.63 3h02 h ARG 267 N -0.32 0.92 -0.57 4.80 2.47 -1.61 -2.84 114.38 117.23 3h02 h ARG 267 Ca -0.00 -0.28 -0.08 0.00 -1.26 0.00 0.00 59.98 58.35 3h02 h ARG 267 Cb 0.30 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 3h02 h ARG 267 CO 0.01 0.93 0.03 -0.91 0.56 0.00 0.00 179.97 180.58 3h02 h ASN 268 N 0.79 0.96 0.14 7.04 2.35 -0.01 -0.82 115.58 126.04 3h02 h ASN 268 Ca 0.15 -0.29 0.02 0.00 -0.55 0.00 0.00 56.30 55.62 3h02 h ASN 268 Cb 0.50 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 3h02 h ASN 268 CO 0.02 1.02 -0.43 0.00 -1.65 0.00 0.00 177.43 176.40 3h02 h ALA 269 N 0.98 -0.77 -0.49 -0.83 0.00 -0.29 1.08 119.26 118.93 3h02 h ALA 269 Ca 0.16 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3h02 h ALA 269 Cb 0.51 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3h02 h ALA 269 CO 0.02 -1.00 0.23 0.74 0.00 0.00 0.00 179.25 179.25 3h02 h PHE 270 N -0.68 0.42 -0.76 0.00 -1.00 -1.42 0.10 116.94 113.61 3h02 h PHE 270 Ca 0.02 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.84 3h02 h PHE 270 Cb 0.69 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 40.09 3h02 h PHE 270 CO -0.36 0.19 0.49 -0.97 -1.61 0.00 0.00 178.31 176.05 3h02 h ASN 271 N 0.45 0.83 -0.01 2.17 -0.00 -0.62 -2.40 115.58 116.01 3h02 h ASN 271 Ca 0.22 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.51 3h02 h ASN 271 Cb 0.16 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 38.28 3h02 h ASN 271 CO -0.17 0.59 0.00 0.00 -0.00 0.00 0.00 177.43 177.84 3h02 n GLN 272 N -4.59 1.23 -2.98 6.67 6.02 0.37 -4.94 117.38 119.16 3h02 n GLN 272 Ca 0.08 -0.33 -0.12 0.00 -0.01 0.00 0.00 57.00 56.61 3h02 n GLN 272 Cb 0.05 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 29.90 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 -0.58 -3.79 -3.52 -1.09 4.76 0.24 -5.01 118.16 109.17 3h02 n LYS 273 Ca 0.22 0.64 -0.13 0.00 -2.87 0.00 0.00 58.31 56.17 3h02 n LYS 273 Cb 0.19 -4.93 -0.04 0.00 -1.84 0.00 0.00 35.03 28.41 3h02 n LYS 273 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3h02 s ARG 274 N -4.67 1.14 0.48 1.97 1.70 -0.54 -5.03 118.95 114.00 3h02 s ARG 274 Ca 0.12 -0.37 -0.21 0.00 -0.47 0.00 0.00 55.73 54.80 3h02 s ARG 274 Cb -0.02 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.81 3h02 s ARG 274 CO 0.55 -0.45 1.10 1.14 -1.08 0.00 0.00 175.30 176.55 3h02 s GLN 275 N -3.11 3.74 0.51 3.89 -2.07 -1.26 -3.88 119.66 117.48 3h02 s GLN 275 Ca -0.02 1.56 -0.22 0.00 -1.82 0.00 0.00 55.36 54.86 3h02 s GLN 275 Cb -0.00 -2.23 -0.06 0.00 -1.09 0.00 0.00 33.01 29.63 3h02 s GLN 275 CO -0.07 -0.52 1.26 -2.14 -1.32 0.00 0.00 175.29 172.51 3h02 s PRO 276 N -2.97 3.40 -0.08 9.60 0.02 -1.26 -4.93 135.00 138.78 3h02 s PRO 276 Ca 0.66 2.01 -0.01 0.00 0.02 0.00 0.00 61.00 63.68 3h02 s PRO 276 Cb -0.22 -2.30 0.03 0.00 0.02 0.00 0.00 34.50 32.02 3h02 s PRO 276 CO 0.27 -0.91 -0.01 0.34 -0.33 0.00 0.00 177.00 176.35 3h02 s ASP 277 N -1.17 1.66 0.00 2.53 -1.08 -1.26 -5.03 116.67 112.32 3h02 s ASP 277 Ca 0.68 -0.12 0.12 0.00 -0.52 0.00 0.00 52.55 52.71 3h02 s ASP 277 Cb -0.35 -0.50 0.16 0.00 -1.46 0.00 0.00 42.92 40.78 3h02 s ASP 277 CO 0.41 -0.18 0.99 0.49 0.52 0.00 0.00 175.17 177.40 3h02 n PHE 278 N 5.09 0.14 0.29 -5.34 3.01 -1.26 -4.55 117.46 114.84 3h02 n PHE 278 Ca -0.08 -0.15 0.15 0.00 1.01 0.00 0.00 57.45 58.38 3h02 n PHE 278 Cb 0.50 -0.01 0.90 0.00 -0.01 0.00 0.00 39.48 40.86 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 2.28 0.00 0.52 4.37 4.64 -2.01 -1.74 113.55 121.61 3h02 h SER 279 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3h02 h SER 279 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3h02 h SER 279 CO 0.00 0.00 -0.16 0.50 -0.87 0.00 0.00 176.83 176.30 3h02 h LYS 280 N 0.00 0.00 -6.39 4.77 3.64 -2.05 -3.44 116.57 113.10 3h02 h LYS 280 Ca 0.01 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.86 3h02 h LYS 280 Cb 0.06 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3h02 h LYS 280 CO -0.00 0.16 -0.18 -0.06 -2.27 0.00 0.00 179.45 177.10 3h02 s PHE 281 N -4.03 3.46 0.58 1.91 0.40 -0.66 -5.07 117.98 114.58 3h02 s PHE 281 Ca -0.02 0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 56.81 3h02 s PHE 281 Cb 0.12 -2.10 -0.05 0.00 0.51 0.00 0.00 43.02 41.51 3h02 s PHE 281 CO 0.61 0.26 1.04 0.15 0.70 0.00 0.00 175.22 177.98 3h02 s LYS 282 N -3.18 3.47 -0.86 0.44 1.02 -1.26 -4.99 119.74 114.37 3h02 s LYS 282 Ca 0.44 1.12 0.00 0.00 0.02 0.00 0.00 55.97 57.55 3h02 s LYS 282 Cb -0.11 -2.06 0.24 0.00 -0.52 0.00 0.00 37.83 35.39 3h02 s LYS 282 CO 0.27 -0.68 0.90 0.54 -0.92 0.00 0.00 175.35 175.46 3h02 n ARG 283 N -1.98 2.95 -1.07 1.68 1.74 -1.26 -5.07 116.66 113.66 3h02 n ARG 283 Ca 0.08 -4.55 -0.33 0.00 -0.77 0.00 0.00 57.85 52.28 3h02 n ARG 283 Cb 0.53 -2.38 0.13 0.00 -1.02 0.00 0.00 32.46 29.72 3h02 n ARG 283 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3h02 s ASN 284 N -1.19 3.55 0.00 0.55 0.01 -1.26 -5.33 114.94 111.26 3h02 s ASN 284 Ca 0.32 2.30 0.32 0.00 -0.71 0.00 0.00 52.86 55.09 3h02 s ASN 284 Cb 0.02 -2.58 1.86 0.00 0.41 0.00 0.00 41.25 40.95 3h02 s ASN 284 CO -0.05 -2.69 2.20 -0.81 -1.51 0.00 0.00 177.10 174.24