#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h40 s SER 27 N 0.00 7.14 0.25 4.04 1.04 -1.26 -5.07 113.70 119.84 3h40 s SER 27 Ca 0.00 1.37 0.07 0.00 0.48 0.00 0.00 55.95 57.87 3h40 s SER 27 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 3h40 s SER 27 CO 0.00 -0.02 0.17 -0.13 0.98 0.00 0.00 173.24 174.23 3h40 s ARG 28 N 0.19 2.84 -0.27 4.02 0.52 -1.26 -5.00 118.95 120.00 3h40 s ARG 28 Ca 0.38 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 3h40 s ARG 28 Cb -0.20 -2.51 0.08 0.00 0.52 0.00 0.00 34.95 32.84 3h40 s ARG 28 CO 0.21 0.40 0.03 0.08 0.02 0.00 0.00 175.30 176.04 3h40 s VAL 29 N -2.15 1.23 -0.03 3.52 1.01 -1.26 -4.13 120.40 118.58 3h40 s VAL 29 Ca 0.33 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3h40 s VAL 29 Cb -0.08 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3h40 s VAL 29 CO 0.24 -0.38 -0.10 -0.63 0.00 0.00 0.00 175.10 174.23 3h40 s ILE 30 N 1.49 3.40 -0.04 2.22 -1.09 0.82 -0.57 121.20 127.43 3h40 s ILE 30 Ca 0.02 -0.70 0.07 0.00 -2.23 0.00 0.00 60.65 57.81 3h40 s ILE 30 Cb -0.18 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.29 3h40 s ILE 30 CO -0.13 0.52 -0.25 0.54 -1.23 0.00 0.00 174.94 174.39 3h40 s VAL 31 N -0.84 2.01 -0.23 2.92 0.11 -0.70 -1.42 120.40 122.25 3h40 s VAL 31 Ca 0.14 -1.06 -0.04 0.00 -2.93 0.00 0.00 61.98 58.08 3h40 s VAL 31 Cb -0.11 -1.69 -0.00 0.00 -1.53 0.00 0.00 36.38 33.05 3h40 s VAL 31 CO 0.03 0.56 -0.03 -2.28 -3.33 0.00 0.00 175.10 170.05 3h40 s HIS 32 N -0.34 2.99 -0.22 1.54 2.46 0.64 -1.43 115.29 120.93 3h40 s HIS 32 Ca 0.02 -1.04 -0.08 0.00 0.47 0.00 0.00 55.06 54.43 3h40 s HIS 32 Cb -0.12 -2.11 -0.04 0.00 -0.13 0.00 0.00 32.58 30.18 3h40 s HIS 32 CO 0.02 -0.58 0.09 0.08 -2.47 0.00 0.00 174.74 171.88 3h40 s VAL 33 N 1.46 4.73 -0.20 0.89 1.01 0.17 -0.61 120.40 127.85 3h40 s VAL 33 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 3h40 s VAL 33 Cb -0.15 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.11 3h40 s VAL 33 CO -0.03 0.38 -0.01 -0.62 0.00 0.00 0.00 175.10 174.82 3h40 s ASP 34 N 1.03 3.25 0.21 3.32 3.68 0.12 -1.68 116.67 126.60 3h40 s ASP 34 Ca 0.05 -0.93 -0.30 0.00 2.13 0.00 0.00 52.55 53.50 3h40 s ASP 34 Cb -0.14 -0.87 -0.08 0.00 -1.45 0.00 0.00 42.92 40.38 3h40 s ASP 34 CO 0.03 -0.26 1.08 -0.76 0.13 0.00 0.00 175.17 175.40 3h40 s LEU 35 N 1.65 4.52 0.22 -1.34 1.43 -0.84 -0.10 118.68 124.21 3h40 s LEU 35 Ca -0.03 2.12 -0.30 0.00 -1.03 0.00 0.00 54.13 54.89 3h40 s LEU 35 Cb -0.17 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.35 3h40 s LEU 35 CO -0.07 -0.17 1.31 -1.81 0.23 0.00 0.00 176.35 175.84 3h40 s ASP 36 N -0.38 6.87 0.00 2.29 1.01 -1.22 -4.09 116.67 121.16 3h40 s ASP 36 Ca 0.47 2.46 0.00 0.00 0.71 0.00 0.00 52.55 56.19 3h40 s ASP 36 Cb -0.30 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.02 3h40 s ASP 36 CO 0.36 -0.53 0.00 0.00 0.21 0.00 0.00 175.17 175.21 3h40 h PHE 38 N 1.53 -1.80 -0.89 0.00 3.57 -1.96 -1.24 116.94 116.16 3h40 h PHE 38 Ca 0.00 0.11 0.08 0.00 3.53 0.00 0.00 57.97 61.68 3h40 h PHE 38 Cb 0.00 0.88 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 3h40 h PHE 38 CO 0.00 -0.43 0.54 1.88 -2.23 0.00 0.00 178.31 178.08 3h40 h TYR 39 N -0.19 1.00 -0.54 0.41 0.05 -1.97 -1.36 116.97 114.38 3h40 h TYR 39 Ca 0.12 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.93 3h40 h TYR 39 Cb 0.50 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 3h40 h TYR 39 CO -0.88 0.47 0.34 0.00 -1.05 0.00 0.00 178.16 177.04 3h40 h ALA 40 N 1.44 0.68 -0.91 3.88 0.00 -1.66 -0.16 119.26 122.54 3h40 h ALA 40 Ca 0.40 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.28 3h40 h ALA 40 Cb 0.26 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3h40 h ALA 40 CO -0.20 0.15 0.60 1.96 0.00 0.00 0.00 179.25 181.75 3h40 h GLN 41 N 0.73 1.15 -0.18 0.00 4.20 -0.20 0.21 115.11 121.01 3h40 h GLN 41 Ca 0.20 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3h40 h GLN 41 Cb -0.05 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.47 3h40 h GLN 41 CO -0.04 0.76 -0.10 0.28 -0.67 0.00 0.00 178.83 179.06 3h40 h VAL 42 N 1.18 1.31 -0.39 -0.54 2.07 -0.72 -1.73 116.25 117.42 3h40 h VAL 42 Ca 0.35 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 3h40 h VAL 42 Cb -0.06 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3h40 h VAL 42 CO -0.09 0.35 0.03 -0.33 0.02 0.00 0.00 177.57 177.54 3h40 h GLU 43 N 0.08 0.61 -0.08 1.57 4.39 -0.57 -1.51 114.58 119.06 3h40 h GLU 43 Ca 0.04 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 3h40 h GLU 43 Cb 0.58 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3h40 h GLU 43 CO 0.03 0.61 -0.49 0.52 -1.16 0.00 0.00 179.01 178.52 3h40 h MET 44 N 0.59 0.22 -0.05 2.33 2.86 -0.52 -2.51 114.93 117.85 3h40 h MET 44 Ca 0.13 -0.12 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 3h40 h MET 44 Cb 0.33 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3h40 h MET 44 CO 0.01 0.67 -0.70 0.82 1.06 0.00 0.00 176.91 178.77 3h40 h ILE 45 N 0.18 1.42 0.44 -1.22 2.04 -0.78 -3.11 117.51 116.47 3h40 h ILE 45 Ca 0.01 -2.20 -0.02 0.00 1.00 0.00 0.00 64.86 63.65 3h40 h ILE 45 Cb 0.94 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3h40 h ILE 45 CO 0.08 0.65 -0.21 0.28 0.00 0.00 0.00 178.15 178.94 3h40 h SER 46 N 0.16 -0.49 -3.45 1.72 0.02 -1.07 -3.39 113.55 107.05 3h40 h SER 46 Ca -0.02 0.02 -0.72 0.00 -0.84 0.00 0.00 61.79 60.23 3h40 h SER 46 Cb 1.24 0.13 -0.31 0.00 0.14 0.00 0.00 62.40 63.60 3h40 h SER 46 CO 0.11 -0.30 -0.40 0.21 -1.14 0.00 0.00 176.83 175.31 3h40 s ASN 47 N -3.32 5.62 0.45 3.07 3.84 -0.96 -4.96 114.94 118.67 3h40 s ASN 47 Ca -0.09 -2.08 0.21 0.00 0.21 0.00 0.00 52.86 51.12 3h40 s ASN 47 Cb 0.01 -1.97 1.19 0.00 -0.55 0.00 0.00 41.25 39.93 3h40 s ASN 47 CO 0.26 -0.62 1.85 -0.65 -2.79 0.00 0.00 177.10 175.15 3h40 h PRO 48 N 8.18 0.29 0.00 0.43 0.11 -1.74 -0.72 132.00 138.55 3h40 h PRO 48 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3h40 h PRO 48 Cb 1.05 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3h40 h PRO 48 CO 0.81 0.19 0.08 0.39 -0.21 0.00 0.00 178.00 179.26 3h40 n GLU 49 N -4.46 0.01 0.11 1.05 1.02 -1.26 -0.66 120.64 116.45 3h40 n GLU 49 Ca 0.20 0.45 0.12 0.00 -0.02 0.00 0.00 57.16 57.90 3h40 n GLU 49 Cb 0.79 -1.62 0.16 0.00 -0.02 0.00 0.00 31.44 30.75 3h40 n GLU 49 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3h40 h LEU 50 N 0.00 0.00-10.07 -4.62 3.38 -1.42 -3.45 115.31 99.14 3h40 h LEU 50 Ca 0.00 -0.08 -0.45 0.00 0.09 0.00 0.00 57.88 57.45 3h40 h LEU 50 Cb 0.16 0.00 0.22 0.00 0.09 0.00 0.00 40.66 41.13 3h40 h LEU 50 CO 0.00 0.04 -0.15 0.29 0.09 0.00 0.00 178.44 178.71 3h40 n LYS 51 N -2.49 -2.26 0.00 1.13 5.02 0.17 -3.11 118.16 116.61 3h40 n LYS 51 Ca 0.03 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.69 3h40 n LYS 51 Cb 0.49 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 3h40 n LYS 51 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3h40 n ASP 52 N -4.47 0.00 -4.73 4.39 5.75 -1.26 -4.80 116.55 111.43 3h40 n ASP 52 Ca 0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.41 3h40 n ASP 52 Cb 0.55 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.59 3h40 n ASP 52 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3h40 s LYS 53 N 0.00 4.51 -0.23 0.11 1.02 -1.18 -4.92 119.74 119.05 3h40 s LYS 53 Ca 0.00 1.12 -0.38 0.00 0.02 0.00 0.00 55.97 56.73 3h40 s LYS 53 Cb 0.00 -3.41 -0.14 0.00 -0.52 0.00 0.00 37.83 33.76 3h40 s LYS 53 CO 0.00 0.15 1.81 -0.35 -0.92 0.00 0.00 175.35 176.04 3h40 n PRO 54 N 3.30 1.45 -5.24 -1.68 -0.04 -1.26 -4.82 135.00 126.71 3h40 n PRO 54 Ca 0.00 0.53 -0.32 0.00 -0.04 0.00 0.00 63.50 63.68 3h40 n PRO 54 Cb 0.51 -2.28 -0.16 0.00 -0.04 0.00 0.00 33.50 31.52 3h40 n PRO 54 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h40 s LEU 55 N 3.90 2.12 -0.02 1.53 2.96 -1.26 -1.88 118.68 126.03 3h40 s LEU 55 Ca 0.97 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 54.44 3h40 s LEU 55 Cb -0.95 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 3h40 s LEU 55 CO 0.61 0.26 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.93 3h40 s GLY 56 N -0.23 0.69 -0.21 7.98 0.00 -0.40 -0.59 107.32 114.56 3h40 s GLY 56 Ca -0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 44.72 44.04 3h40 s GLY 56 CO 0.03 -0.42 0.11 0.14 0.00 0.00 0.00 173.10 172.95 3h40 s VAL 57 N -0.21 5.10 -0.04 1.40 1.01 0.25 -2.20 120.40 125.70 3h40 s VAL 57 Ca 0.03 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.12 3h40 s VAL 57 Cb -0.07 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3h40 s VAL 57 CO -0.00 0.42 -0.10 -1.58 0.00 0.00 0.00 175.10 173.83 3h40 s GLN 58 N 0.62 2.58 -0.20 2.72 0.74 0.36 -1.42 119.66 125.07 3h40 s GLN 58 Ca 0.06 -0.65 -0.02 0.00 0.05 0.00 0.00 55.36 54.79 3h40 s GLN 58 Cb -0.12 -2.47 0.06 0.00 1.10 0.00 0.00 33.01 31.57 3h40 s GLN 58 CO 0.01 0.63 0.01 -0.65 -0.55 0.00 0.00 175.29 174.74 3h40 s GLN 59 N -0.90 0.90 7.95 1.67 -0.21 -0.45 0.64 119.66 129.26 3h40 s GLN 59 Ca 0.13 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 54.98 3h40 s GLN 59 Cb -0.11 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.74 3h40 s GLN 59 CO 0.02 -0.61 0.00 1.63 -2.12 0.00 0.00 175.29 174.22 3h40 n LYS 60 N 4.96 0.00 -0.78 2.91 4.76 -1.26 -1.67 118.16 127.09 3h40 n LYS 60 Ca -0.10 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.42 3h40 n LYS 60 Cb 0.47 0.00 0.37 0.00 -1.84 0.00 0.00 35.03 34.03 3h40 n LYS 60 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 3h40 n TYR 61 N 13.70 1.80 -4.39 2.13 0.18 -1.26 -4.96 117.16 124.35 3h40 n TYR 61 Ca 0.00 -0.74 -0.25 0.00 1.88 0.00 0.00 57.90 58.79 3h40 n TYR 61 Cb 0.00 -0.44 -0.12 0.00 -0.38 0.00 0.00 39.34 38.40 3h40 n TYR 61 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3h40 s LEU 62 N -2.65 2.43 -0.51 -3.48 1.43 -0.67 -2.28 118.68 112.95 3h40 s LEU 62 Ca 0.52 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 3h40 s LEU 62 Cb 0.39 -1.06 0.13 0.00 0.03 0.00 0.00 46.19 45.69 3h40 s LEU 62 CO 0.16 0.07 0.35 -0.69 0.23 0.00 0.00 176.35 176.48 3h40 s VAL 63 N -1.74 3.95 0.14 -1.59 1.01 -0.50 -1.34 120.40 120.33 3h40 s VAL 63 Ca 0.18 -2.14 -0.13 0.00 0.00 0.00 0.00 61.98 59.89 3h40 s VAL 63 Cb -0.07 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3h40 s VAL 63 CO 0.09 -0.79 1.56 -0.37 0.00 0.00 0.00 175.10 175.59 3h40 h VAL 64 N 5.94 1.27 -3.50 2.92 -1.51 -1.54 0.26 116.25 120.08 3h40 h VAL 64 Ca -0.13 -1.12 -0.05 0.00 -1.23 0.00 0.00 66.70 64.16 3h40 h VAL 64 Cb 1.04 1.11 -0.12 0.00 -2.13 0.00 0.00 31.29 31.19 3h40 h VAL 64 CO 0.78 0.38 -0.12 0.28 -1.23 0.00 0.00 177.57 177.67 3h40 s THR 65 N -4.90 0.06 0.09 7.19 -1.32 -1.23 -2.56 115.64 112.97 3h40 s THR 65 Ca -0.12 -0.87 -0.15 0.00 -1.21 0.00 0.00 61.69 59.34 3h40 s THR 65 Cb 0.11 -1.47 0.03 0.00 -1.51 0.00 0.00 72.50 69.65 3h40 s THR 65 CO 0.82 -0.27 0.34 0.00 -2.21 0.00 0.00 174.62 173.30 3h40 s ASN 67 N -2.55 4.45 0.41 0.00 2.20 0.24 -4.80 114.94 114.89 3h40 s ASN 67 Ca 0.01 1.54 0.13 0.00 -0.94 0.00 0.00 52.86 53.59 3h40 s ASN 67 Cb 0.02 -2.29 0.97 0.00 -2.00 0.00 0.00 41.25 37.94 3h40 s ASN 67 CO -0.09 -2.03 1.95 1.88 -2.94 0.00 0.00 177.10 175.87 3h40 h TYR 68 N -1.13 0.55 0.40 1.54 0.05 -1.98 -1.50 116.97 114.91 3h40 h TYR 68 Ca -0.46 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.33 3h40 h TYR 68 Cb 1.25 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.78 3h40 h TYR 68 CO 0.52 0.24 -0.51 0.93 -1.05 0.00 0.00 178.16 178.29 3h40 h GLU 69 N 0.50 -0.91 -0.43 4.88 4.39 -1.91 0.31 114.58 121.41 3h40 h GLU 69 Ca 0.33 0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.10 3h40 h GLU 69 Cb 0.61 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 3h40 h GLU 69 CO -0.11 -0.60 0.28 0.00 -1.16 0.00 0.00 179.01 177.42 3h40 h ALA 70 N -0.77 1.74 -0.11 3.43 0.00 -1.76 -0.13 119.26 121.66 3h40 h ALA 70 Ca -0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3h40 h ALA 70 Cb 0.85 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3h40 h ALA 70 CO -0.12 0.23 -0.26 -0.09 0.00 0.00 0.00 179.25 179.01 3h40 h ARG 71 N 0.54 0.20 -0.04 0.00 2.43 -0.36 -1.73 114.38 115.42 3h40 h ARG 71 Ca 0.16 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3h40 h ARG 71 Cb -0.01 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3h40 h ARG 71 CO -0.04 0.46 -0.22 0.87 -1.51 0.00 0.00 179.97 179.53 3h40 h LYS 72 N 0.18 0.07 -0.92 0.20 1.57 0.15 -2.50 116.57 115.32 3h40 h LYS 72 Ca 0.03 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 3h40 h LYS 72 Cb 0.57 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 3h40 h LYS 72 CO 0.04 0.29 0.17 1.28 -0.57 0.00 0.00 179.45 180.67 3h40 n LEU 73 N -4.25 4.07 0.00 2.94 4.32 -0.67 -4.88 117.00 118.53 3h40 n LEU 73 Ca -0.02 -2.11 0.00 0.00 -0.02 0.00 0.00 56.01 53.87 3h40 n LEU 73 Cb 0.30 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 3h40 n LEU 73 CO 0.38 0.61 0.00 0.61 -1.22 0.00 0.00 177.39 177.77 3h40 n GLY 74 N -0.02 3.09 3.67 -0.72 0.00 -0.94 -4.53 105.19 105.74 3h40 n GLY 74 Ca 0.21 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.76 3h40 n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h40 n VAL 75 N -0.91 0.23 -4.36 1.61 0.31 -1.07 -4.98 118.33 109.17 3h40 n VAL 75 Ca 0.00 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 64.00 3h40 n VAL 75 Cb 0.00 -1.67 -0.12 0.00 -0.91 0.00 0.00 33.84 31.14 3h40 n VAL 75 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3h40 s LYS 76 N 2.14 1.60 0.33 5.55 0.00 -1.26 -4.21 119.74 123.89 3h40 s LYS 76 Ca 0.84 -1.31 -0.29 0.00 0.00 0.00 0.00 55.97 55.21 3h40 s LYS 76 Cb -0.68 -1.99 -0.12 0.00 0.00 0.00 0.00 37.83 35.04 3h40 s LYS 76 CO 0.43 0.45 1.41 1.63 0.00 0.00 0.00 175.35 179.27 3h40 n LYS 77 N 0.69 2.38 -3.26 1.78 5.02 -1.26 -3.22 118.16 120.29 3h40 n LYS 77 Ca -0.16 0.84 -0.15 0.00 -2.02 0.00 0.00 58.31 56.82 3h40 n LYS 77 Cb 0.54 -2.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.11 3h40 n LYS 77 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h40 n LEU 78 N 1.04 -5.57 -4.11 -0.35 4.77 0.87 -5.00 117.00 108.65 3h40 n LEU 78 Ca 0.05 -0.69 -0.23 0.00 -0.03 0.00 0.00 56.01 55.11 3h40 n LEU 78 Cb 0.36 -3.18 -0.15 0.00 -2.33 0.00 0.00 43.42 38.12 3h40 n LEU 78 CO 0.63 0.05 -0.48 -0.32 -1.33 0.00 0.00 177.39 175.95 3h40 s MET 79 N -4.40 1.23 0.40 3.23 1.75 -0.96 -4.91 119.30 115.66 3h40 s MET 79 Ca 0.44 -0.52 -0.25 0.00 -1.25 0.00 0.00 55.69 54.11 3h40 s MET 79 Cb -0.06 -1.17 -0.11 0.00 2.84 0.00 0.00 34.83 36.33 3h40 s MET 79 CO 0.75 0.29 1.10 0.27 -0.65 0.00 0.00 175.02 176.78 3h40 n ASN 80 N 2.81 1.72 -0.12 1.11 0.23 -1.26 -1.41 115.26 118.33 3h40 n ASN 80 Ca -0.15 1.08 -0.04 0.00 -0.53 0.00 0.00 54.58 54.94 3h40 n ASN 80 Cb 0.55 -1.40 0.03 0.00 -2.08 0.00 0.00 39.78 36.88 3h40 n ASN 80 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3h40 h VAL 81 N 1.79 0.71 0.09 3.53 2.07 -1.78 0.11 116.25 122.76 3h40 h VAL 81 Ca -0.45 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3h40 h VAL 81 Cb 1.32 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3h40 h VAL 81 CO 0.58 0.02 -0.16 -0.09 0.02 0.00 0.00 177.57 177.94 3h40 h ARG 82 N 0.13 -0.26 0.00 1.57 9.65 -1.90 0.33 114.38 123.90 3h40 h ARG 82 Ca 0.20 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 3h40 h ARG 82 Cb 0.28 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 3h40 h ARG 82 CO -0.32 -0.18 0.27 -0.44 2.80 0.00 0.00 179.97 182.11 3h40 h ASP 83 N -0.27 0.00 0.46 -3.80 5.19 -1.88 0.23 116.42 116.34 3h40 h ASP 83 Ca -0.01 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.10 3h40 h ASP 83 Cb 0.26 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 3h40 h ASP 83 CO -0.06 0.00 -1.61 0.00 -3.12 0.00 0.00 179.24 174.45 3h40 h ALA 84 N 1.34 0.45 0.00 3.45 0.00 0.16 -3.29 119.26 121.38 3h40 h ALA 84 Ca 0.00 -1.24 -0.25 0.00 0.00 0.00 0.00 54.91 53.42 3h40 h ALA 84 Cb 0.54 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3h40 h ALA 84 CO 0.00 1.31 -1.55 0.87 0.00 0.00 0.00 179.25 179.88 3h40 h LYS 85 N 0.04 0.00 0.00 0.00 1.57 0.24 -2.63 116.57 115.80 3h40 h LYS 85 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3h40 h LYS 85 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.31 3h40 h LYS 85 CO 0.12 0.46 0.00 0.39 -0.57 0.00 0.00 179.45 179.86 3h40 n GLU 86 N -3.02 0.98 0.00 3.15 -0.58 0.47 0.10 120.64 121.75 3h40 n GLU 86 Ca -0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 3h40 n GLU 86 Cb 0.98 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.73 3h40 n GLU 86 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3h40 n LYS 87 N -0.62 1.01 -2.85 3.49 0.00 -1.23 -4.87 118.16 113.09 3h40 n LYS 87 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.26 3h40 n LYS 87 Cb 0.03 -0.91 0.02 0.00 -0.00 0.00 0.00 35.03 34.16 3h40 n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3h40 n PRO 89 N 1.79 0.61 0.00 0.00 -0.02 0.12 -1.02 135.00 136.47 3h40 n PRO 89 Ca 0.13 -0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 3h40 n PRO 89 Cb 0.60 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3h40 n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h40 n GLN 90 N 3.74 0.00 -1.57 -0.52 10.64 -1.26 -5.11 117.38 123.31 3h40 n GLN 90 Ca 0.13 0.00 -0.53 0.00 -1.83 0.00 0.00 57.00 54.77 3h40 n GLN 90 Cb 0.13 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.45 3h40 n GLN 90 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3h40 n LEU 91 N 0.00 1.27 -4.86 2.61 7.94 -0.19 -4.93 117.00 118.84 3h40 n LEU 91 Ca 0.00 1.13 -0.33 0.00 -1.11 0.00 0.00 56.01 55.70 3h40 n LEU 91 Cb 0.00 -1.14 -0.05 0.00 0.53 0.00 0.00 43.42 42.75 3h40 n LEU 91 CO 0.00 -1.28 0.20 -0.69 -1.11 0.00 0.00 177.39 174.51 3h40 s VAL 92 N 0.26 4.93 -0.02 1.96 1.01 -0.79 -4.98 120.40 122.77 3h40 s VAL 92 Ca 0.83 0.57 0.03 0.00 0.00 0.00 0.00 61.98 63.41 3h40 s VAL 92 Cb -0.99 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 31.72 3h40 s VAL 92 CO 0.50 0.08 -0.10 -0.76 0.00 0.00 0.00 175.10 174.82 3h40 s LEU 93 N -2.42 1.90 0.03 3.92 1.43 -1.26 -1.28 118.68 121.00 3h40 s LEU 93 Ca 0.42 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 3h40 s LEU 93 Cb -0.13 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.51 3h40 s LEU 93 CO 0.20 0.10 -0.22 -0.69 0.23 0.00 0.00 176.35 175.97 3h40 s VAL 94 N -0.01 1.73 0.08 -1.59 1.01 -0.93 -4.98 120.40 115.71 3h40 s VAL 94 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.52 3h40 s VAL 94 Cb -0.07 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3h40 s VAL 94 CO 0.00 0.29 1.01 0.21 0.00 0.00 0.00 175.10 176.61 3h40 s ASN 95 N -1.03 7.38 -0.16 3.32 3.84 -1.26 -0.49 114.94 126.55 3h40 s ASN 95 Ca 0.08 1.82 0.14 0.00 0.21 0.00 0.00 52.86 55.11 3h40 s ASN 95 Cb -0.09 -2.58 0.37 0.00 -0.55 0.00 0.00 41.25 38.40 3h40 s ASN 95 CO 0.01 -0.19 1.19 0.61 -2.79 0.00 0.00 177.10 175.93 3h40 n GLY 96 N 2.51 4.43 0.18 1.21 0.00 0.21 -4.78 105.19 108.95 3h40 n GLY 96 Ca 0.04 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 44.89 3h40 n GLY 96 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h40 h GLU 97 N 0.71 0.16 -5.74 1.61 5.08 -1.93 -3.39 114.58 111.08 3h40 h GLU 97 Ca -0.03 -0.08 -0.63 0.00 -1.00 0.00 0.00 59.36 57.63 3h40 h GLU 97 Cb 1.12 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.24 3h40 h GLU 97 CO 0.01 0.58 0.33 0.34 -1.00 0.00 0.00 179.01 179.27 3h40 s ASP 98 N -6.89 6.43 0.00 1.42 3.68 -1.26 -4.91 116.67 115.14 3h40 s ASP 98 Ca -0.04 -0.04 0.30 0.00 2.13 0.00 0.00 52.55 54.90 3h40 s ASP 98 Cb 0.13 -2.38 1.42 0.00 -1.45 0.00 0.00 42.92 40.65 3h40 s ASP 98 CO 0.76 -0.86 1.96 0.18 0.13 0.00 0.00 175.17 177.35 3h40 n LEU 99 N 6.60 0.52 -0.39 -1.34 4.77 -1.26 -4.53 117.00 121.37 3h40 n LEU 99 Ca 0.02 -0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.86 3h40 n LEU 99 Cb 0.48 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3h40 n LEU 99 CO 0.57 0.09 0.55 0.74 -1.33 0.00 0.00 177.39 178.01 3h40 h THR 100 N 0.75 0.00 -0.01 -5.08 2.02 -1.95 0.15 112.91 108.79 3h40 h THR 100 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3h40 h THR 100 Cb 0.27 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3h40 h THR 100 CO 0.00 0.00 -0.63 0.03 0.37 0.00 0.00 175.52 175.29 3h40 h ARG 101 N -0.01 0.05 -0.01 6.66 3.08 -2.00 -1.73 114.38 120.42 3h40 h ARG 101 Ca 0.28 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3h40 h ARG 101 Cb 0.53 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3h40 h ARG 101 CO -0.96 0.66 0.00 1.88 -1.07 0.00 0.00 179.97 180.48 3h40 h TYR 102 N 0.04 0.02 -0.68 3.04 0.99 -1.50 -1.88 116.97 117.00 3h40 h TYR 102 Ca -0.01 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.77 3h40 h TYR 102 Cb 1.12 -0.01 -0.05 0.00 1.00 0.00 0.00 36.73 38.79 3h40 h TYR 102 CO 0.01 0.31 0.39 -0.09 -0.00 0.00 0.00 178.16 178.78 3h40 h ARG 103 N -0.28 0.72 -0.44 4.88 2.43 -0.70 0.85 114.38 121.85 3h40 h ARG 103 Ca 0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3h40 h ARG 103 Cb 0.31 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3h40 h ARG 103 CO 0.00 0.48 0.16 0.93 -1.51 0.00 0.00 179.97 180.03 3h40 h GLU 104 N 0.74 0.66 -0.51 0.20 5.08 -1.22 -2.15 114.58 117.38 3h40 h GLU 104 Ca 0.29 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3h40 h GLU 104 Cb 0.14 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3h40 h GLU 104 CO -0.16 0.62 -0.09 1.98 -1.00 0.00 0.00 179.01 180.36 3h40 h MET 105 N 0.56 0.94 -0.71 2.33 4.05 -0.96 -2.36 114.93 118.79 3h40 h MET 105 Ca 0.14 -0.33 0.10 0.00 -0.28 0.00 0.00 59.70 59.33 3h40 h MET 105 Cb 0.22 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 30.88 3h40 h MET 105 CO -0.01 0.99 0.35 1.03 0.23 0.00 0.00 176.91 179.50 3h40 h SER 106 N 0.85 0.44 0.62 1.39 0.87 -0.58 -0.59 113.55 116.55 3h40 h SER 106 Ca 0.14 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.63 3h40 h SER 106 Cb 0.63 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3h40 h SER 106 CO 0.04 0.25 -0.63 1.88 -0.53 0.00 0.00 176.83 177.84 3h40 h TYR 107 N 0.59 0.01 -0.51 2.24 -1.99 -1.12 -2.33 116.97 113.86 3h40 h TYR 107 Ca 0.35 -0.00 -0.07 0.00 2.00 0.00 0.00 58.73 61.00 3h40 h TYR 107 Cb 0.38 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.09 3h40 h TYR 107 CO -0.11 0.63 0.01 0.87 -0.00 0.00 0.00 178.16 179.56 3h40 h LYS 108 N 0.00 0.84 0.20 4.88 1.57 -0.69 0.19 116.57 123.56 3h40 h LYS 108 Ca -0.01 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3h40 h LYS 108 Cb 1.11 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3h40 h LYS 108 CO 0.08 0.83 -0.10 0.28 -0.57 0.00 0.00 179.45 179.98 3h40 h VAL 109 N 0.78 0.85 -0.56 0.50 2.07 -0.92 -0.72 116.25 118.26 3h40 h VAL 109 Ca 0.15 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.47 3h40 h VAL 109 Cb 0.45 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3h40 h VAL 109 CO 0.02 0.06 0.27 0.74 0.02 0.00 0.00 177.57 178.67 3h40 h THR 110 N -0.40 0.90 -0.71 2.57 2.02 -1.19 -0.71 112.91 115.40 3h40 h THR 110 Ca -0.03 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3h40 h THR 110 Cb 0.30 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3h40 h THR 110 CO 0.05 0.09 0.26 -0.33 0.37 0.00 0.00 175.52 175.95 3h40 h GLU 111 N 0.50 1.06 -0.76 6.66 5.08 -0.83 0.14 114.58 126.44 3h40 h GLU 111 Ca 0.26 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3h40 h GLU 111 Cb 0.21 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3h40 h GLU 111 CO -0.20 0.88 0.26 1.25 -1.00 0.00 0.00 179.01 180.20 3h40 h LEU 112 N 1.03 1.08 -0.61 1.33 6.46 -0.35 -2.46 115.31 121.79 3h40 h LEU 112 Ca 0.24 -0.19 -0.14 0.00 -0.12 0.00 0.00 57.88 57.67 3h40 h LEU 112 Cb 0.23 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3h40 h LEU 112 CO -0.02 0.98 -0.37 -0.07 -0.62 0.00 0.00 178.44 178.35 3h40 h LEU 113 N 1.12 0.73 -2.28 2.25 3.38 -0.30 -2.76 115.31 117.44 3h40 h LEU 113 Ca 0.25 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3h40 h LEU 113 Cb 0.27 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3h40 h LEU 113 CO -0.01 1.02 -0.04 -0.33 0.09 0.00 0.00 178.44 179.17 3h40 h GLU 114 N 0.57 0.00 -0.43 1.13 5.08 -0.37 -1.40 114.58 119.17 3h40 h GLU 114 Ca 0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3h40 h GLU 114 Cb 0.89 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 3h40 h GLU 114 CO 0.08 0.04 -0.15 1.49 -1.00 0.00 0.00 179.01 179.47 3h40 h GLU 115 N 0.00 0.80 -0.11 2.33 4.81 -1.14 -2.83 114.58 118.44 3h40 h GLU 115 Ca -0.00 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3h40 h GLU 115 Cb 0.10 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3h40 h GLU 115 CO 0.00 0.90 0.00 0.74 -0.73 0.00 0.00 179.01 179.93 3h40 h PHE 116 N 0.71 0.21 -2.27 0.92 -1.00 -1.33 -3.45 116.94 110.74 3h40 h PHE 116 Ca 0.11 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 3h40 h PHE 116 Cb 0.65 -0.06 -0.23 0.00 3.61 0.00 0.00 35.95 39.92 3h40 h PHE 116 CO 0.03 0.43 -0.12 0.45 -1.61 0.00 0.00 178.31 177.50 3h40 s SER 117 N -5.69 -0.77 0.57 2.17 0.15 -1.05 -5.03 113.70 104.04 3h40 s SER 117 Ca -0.14 1.26 0.26 0.00 0.70 0.00 0.00 55.95 58.03 3h40 s SER 117 Cb 0.05 1.14 1.57 0.00 -1.71 0.00 0.00 66.02 67.07 3h40 s SER 117 CO 0.70 -0.22 2.11 1.55 1.20 0.00 0.00 173.24 178.58 3h40 h PRO 118 N 7.07 0.00 -5.14 5.44 0.13 -1.79 -3.36 132.00 134.34 3h40 h PRO 118 Ca -0.33 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.12 3h40 h PRO 118 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 3h40 h PRO 118 CO 0.22 0.00 0.93 0.08 -0.23 0.00 0.00 178.00 179.00 3h40 s VAL 119 N -4.77 4.65 -0.09 1.56 1.01 -1.26 -4.92 120.40 116.57 3h40 s VAL 119 Ca -0.05 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.44 3h40 s VAL 119 Cb 0.16 -4.82 0.01 0.00 0.00 0.00 0.00 36.38 31.73 3h40 s VAL 119 CO 0.60 -1.56 -0.19 -0.69 0.00 0.00 0.00 175.10 173.25 3h40 s VAL 120 N 2.91 1.71 -0.15 2.92 1.01 -1.26 -2.48 120.40 125.06 3h40 s VAL 120 Ca 0.35 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3h40 s VAL 120 Cb -0.04 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3h40 s VAL 120 CO -0.09 0.48 -0.07 -0.70 0.00 0.00 0.00 175.10 174.73 3h40 s GLU 121 N 0.57 3.57 0.16 2.72 2.12 0.47 -1.62 118.70 126.69 3h40 s GLU 121 Ca -0.15 -0.58 -0.13 0.00 0.36 0.00 0.00 54.97 54.47 3h40 s GLU 121 Cb -0.17 -2.84 -0.07 0.00 0.26 0.00 0.00 34.13 31.32 3h40 s GLU 121 CO 0.05 0.20 0.55 1.03 -0.54 0.00 0.00 175.26 176.55 3h40 s ARG 122 N 0.43 3.94 -0.32 4.30 0.52 -1.26 -0.13 118.95 126.42 3h40 s ARG 122 Ca -0.06 0.44 -0.02 0.00 -0.52 0.00 0.00 55.73 55.57 3h40 s ARG 122 Cb -0.15 -2.87 0.11 0.00 0.52 0.00 0.00 34.95 32.56 3h40 s ARG 122 CO 0.04 0.44 0.15 -1.17 0.02 0.00 0.00 175.30 174.78 3h40 s LEU 123 N -2.14 1.07 0.00 2.53 2.96 -0.09 -4.96 118.68 118.04 3h40 s LEU 123 Ca 0.40 -1.65 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 3h40 s LEU 123 Cb -0.14 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.06 3h40 s LEU 123 CO 0.19 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.44 3h40 n GLY 124 N 4.78 -1.43 0.11 7.98 0.00 -1.26 -2.90 105.19 112.46 3h40 n GLY 124 Ca -0.00 -1.27 0.12 0.00 0.00 0.00 0.00 46.02 44.87 3h40 n GLY 124 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3h40 h PHE 125 N 0.00 0.00 -0.14 1.61 0.05 -1.98 -3.39 116.94 113.10 3h40 h PHE 125 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3h40 h PHE 125 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.95 3h40 h PHE 125 CO 0.00 0.00 0.00 -0.40 -0.18 0.00 0.00 178.31 177.73 3h40 n ASP 126 N -2.51 2.24 -4.16 2.17 5.68 -1.26 -4.64 116.55 114.07 3h40 n ASP 126 Ca 0.02 -1.66 -0.22 0.00 -0.50 0.00 0.00 54.79 52.43 3h40 n ASP 126 Cb 0.51 -0.09 -0.14 0.00 -1.14 0.00 0.00 41.12 40.26 3h40 n ASP 126 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3h40 s GLU 127 N -0.89 1.11 0.01 0.11 2.02 -1.14 -1.98 118.70 117.94 3h40 s GLU 127 Ca 0.15 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 3h40 s GLU 127 Cb 0.09 -1.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.17 3h40 s GLU 127 CO 0.13 0.29 -0.02 -0.80 0.02 0.00 0.00 175.26 174.88 3h40 s ASN 128 N -0.92 0.17 -0.05 -0.19 0.01 -0.67 -0.92 114.94 112.37 3h40 s ASN 128 Ca 0.04 -0.36 0.05 0.00 -0.71 0.00 0.00 52.86 51.89 3h40 s ASN 128 Cb -0.07 0.08 -0.02 0.00 0.41 0.00 0.00 41.25 41.65 3h40 s ASN 128 CO 0.01 -0.22 -0.21 -0.36 -1.51 0.00 0.00 177.10 174.80 3h40 s PHE 129 N -1.07 2.51 -0.05 2.20 0.40 0.81 -0.66 117.98 122.12 3h40 s PHE 129 Ca -0.12 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.76 3h40 s PHE 129 Cb -0.07 -1.60 0.01 0.00 0.51 0.00 0.00 43.02 41.87 3h40 s PHE 129 CO -0.01 -0.05 -0.10 0.08 0.70 0.00 0.00 175.22 175.85 3h40 s VAL 130 N -0.41 0.91 -0.46 -0.44 1.01 -0.52 -0.40 120.40 120.10 3h40 s VAL 130 Ca 0.04 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 3h40 s VAL 130 Cb -0.12 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.44 3h40 s VAL 130 CO 0.02 0.30 0.80 -0.62 0.00 0.00 0.00 175.10 175.59 3h40 s ASP 131 N 0.60 6.41 0.00 3.32 -1.08 -1.04 -1.72 116.67 123.16 3h40 s ASP 131 Ca -0.11 -0.13 0.24 0.00 -0.52 0.00 0.00 52.55 52.03 3h40 s ASP 131 Cb -0.14 -2.39 0.56 0.00 -1.46 0.00 0.00 42.92 39.49 3h40 s ASP 131 CO 0.02 -0.94 1.47 0.18 0.52 0.00 0.00 175.17 176.42 3h40 n LEU 132 N 6.77 2.48 -0.13 -1.34 4.77 0.26 -4.64 117.00 125.16 3h40 n LEU 132 Ca 0.02 -0.92 -0.11 0.00 -0.03 0.00 0.00 56.01 54.97 3h40 n LEU 132 Cb 0.48 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3h40 n LEU 132 CO 0.59 0.46 0.55 0.74 -1.33 0.00 0.00 177.39 178.41 3h40 h THR 133 N 3.61 0.08 -0.82 -5.08 2.02 -1.84 0.36 112.91 111.25 3h40 h THR 133 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3h40 h THR 133 Cb 0.78 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 3h40 h THR 133 CO 0.00 0.00 0.40 -0.33 0.37 0.00 0.00 175.52 175.96 3h40 h GLU 134 N -0.34 1.18 -0.77 6.66 5.08 -1.92 -2.50 114.58 121.97 3h40 h GLU 134 Ca 0.12 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3h40 h GLU 134 Cb 0.59 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3h40 h GLU 134 CO -0.59 0.91 0.32 1.98 -1.00 0.00 0.00 179.01 180.63 3h40 h MET 135 N 1.16 1.13 -0.56 2.33 4.05 -1.70 -2.15 114.93 119.19 3h40 h MET 135 Ca 0.28 -0.19 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 3h40 h MET 135 Cb 0.11 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 3h40 h MET 135 CO -0.04 0.90 0.21 0.28 0.23 0.00 0.00 176.91 178.50 3h40 h VAL 136 N 1.11 1.23 -0.15 -5.77 2.07 -0.61 -2.17 116.25 111.96 3h40 h VAL 136 Ca 0.26 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3h40 h VAL 136 Cb 0.18 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3h40 h VAL 136 CO -0.02 0.28 0.09 -0.33 0.02 0.00 0.00 177.57 177.60 3h40 h GLU 137 N 0.78 0.20 -0.82 1.57 4.39 -1.14 -0.66 114.58 118.90 3h40 h GLU 137 Ca 0.19 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.92 3h40 h GLU 137 Cb 0.22 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 3h40 h GLU 137 CO -0.01 0.19 0.51 -0.22 -1.16 0.00 0.00 179.01 178.31 3h40 h LYS 138 N 0.16 0.92 -0.42 2.33 3.64 -1.29 -0.62 116.57 121.30 3h40 h LYS 138 Ca 0.05 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3h40 h LYS 138 Cb 0.04 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3h40 h LYS 138 CO -0.01 0.61 -0.05 0.00 -2.27 0.00 0.00 179.45 177.73 3h40 h ARG 139 N 0.95 0.77 -0.70 1.90 3.08 -1.12 -2.95 114.38 116.32 3h40 h ARG 139 Ca 0.35 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3h40 h ARG 139 Cb 0.12 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3h40 h ARG 139 CO -0.16 0.87 0.27 -0.07 -1.07 0.00 0.00 179.97 179.82 3h40 h LEU 140 N 0.60 0.95 -1.44 3.04 3.38 -0.60 -1.84 115.31 119.41 3h40 h LEU 140 Ca 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3h40 h LEU 140 Cb 0.56 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3h40 h LEU 140 CO 0.03 0.85 0.00 1.56 0.09 0.00 0.00 178.44 180.98 3h40 h GLN 141 N 1.01 0.00 0.00 1.13 4.20 -1.01 -2.19 115.11 118.25 3h40 h GLN 141 Ca 0.23 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.78 3h40 h GLN 141 Cb 0.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3h40 h GLN 141 CO -0.02 0.00 -0.92 1.96 -0.67 0.00 0.00 178.83 179.18 3h40 h GLN 142 N 0.00 0.00 -7.15 1.46 1.08 -1.17 -3.46 115.11 105.87 3h40 h GLN 142 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 3h40 h GLN 142 Cb 0.29 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 27.80 3h40 h GLN 142 CO 0.00 0.58 0.39 -0.51 -0.95 0.00 0.00 178.83 178.34 3h40 s LEU 143 N -6.34 3.57 0.23 1.46 1.43 -0.82 -5.05 118.68 113.15 3h40 s LEU 143 Ca 0.01 2.00 0.05 0.00 -1.03 0.00 0.00 54.13 55.16 3h40 s LEU 143 Cb 0.08 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.72 3h40 s LEU 143 CO 0.79 -1.30 0.30 -1.10 0.23 0.00 0.00 176.35 175.26 3h40 s GLN 144 N -3.76 3.29 -0.37 1.70 -1.52 -1.26 -4.97 119.66 112.77 3h40 s GLN 144 Ca 0.68 -0.81 -0.17 0.00 -1.95 0.00 0.00 55.36 53.11 3h40 s GLN 144 Cb -0.20 -2.81 -0.18 0.00 -0.22 0.00 0.00 33.01 29.61 3h40 s GLN 144 CO 0.34 0.44 1.63 0.43 -0.25 0.00 0.00 175.29 177.88 3h40 n SER 145 N -1.17 1.86 0.01 5.90 7.64 -1.26 -2.21 113.62 124.39 3h40 n SER 145 Ca -0.08 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.39 3h40 n SER 145 Cb 0.57 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 3h40 n SER 145 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3h40 n ASP 146 N 6.83 -0.16 0.00 6.43 9.92 -1.26 -4.91 116.55 133.40 3h40 n ASP 146 Ca 0.36 0.23 0.07 0.00 -0.53 0.00 0.00 54.79 54.93 3h40 n ASP 146 Cb 0.27 0.37 0.31 0.00 -0.64 0.00 0.00 41.12 41.43 3h40 n ASP 146 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 3h40 n GLU 147 N -2.48 0.01 0.26 -1.24 0.28 -0.94 -1.75 120.64 114.80 3h40 n GLU 147 Ca 0.00 0.25 0.16 0.00 -0.16 0.00 0.00 57.16 57.41 3h40 n GLU 147 Cb 0.00 -1.50 0.60 0.00 1.43 0.00 0.00 31.44 31.97 3h40 n GLU 147 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3h40 h LEU 148 N 0.00 0.00 -0.04 -1.84 5.85 -1.88 -2.01 115.31 115.39 3h40 h LEU 148 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h40 h LEU 148 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3h40 h LEU 148 CO 0.00 0.03 -0.34 -1.20 -0.34 0.00 0.00 178.44 176.59 3h40 n SER 149 N -3.13 0.40 -0.75 1.25 7.64 -0.72 -3.40 113.62 114.90 3h40 n SER 149 Ca 0.01 -0.11 0.12 0.00 1.01 0.00 0.00 58.87 59.90 3h40 n SER 149 Cb 0.35 0.03 0.14 0.00 -1.01 0.00 0.00 64.21 63.71 3h40 n SER 149 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h40 n ALA 150 N -1.42 2.78 -1.68 -0.43 0.00 -0.76 -4.95 120.51 114.05 3h40 n ALA 150 Ca 0.07 -0.64 -0.46 0.00 0.00 0.00 0.00 53.44 52.41 3h40 n ALA 150 Cb 0.33 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 3h40 n ALA 150 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h40 n VAL 151 N 0.76 0.23 -4.47 0.00 0.31 -1.20 -4.98 118.33 108.99 3h40 n VAL 151 Ca 0.13 -0.04 -0.23 0.00 -0.01 0.00 0.00 64.34 64.19 3h40 n VAL 151 Cb 0.53 -1.73 -0.10 0.00 -0.91 0.00 0.00 33.84 31.62 3h40 n VAL 151 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3h40 s THR 152 N 2.16 1.80 0.32 2.52 -4.23 -1.26 -5.07 115.64 111.87 3h40 s THR 152 Ca 0.83 -2.14 -0.07 0.00 -1.18 0.00 0.00 61.69 59.13 3h40 s THR 152 Cb -0.65 -2.53 -0.06 0.00 1.34 0.00 0.00 72.50 70.60 3h40 s THR 152 CO 0.42 -0.25 0.62 0.54 -0.54 0.00 0.00 174.62 175.40 3h40 s VAL 153 N -2.91 4.94 -0.21 2.29 0.11 -1.26 -4.74 120.40 118.63 3h40 s VAL 153 Ca 0.31 0.27 -0.00 0.00 -2.93 0.00 0.00 61.98 59.63 3h40 s VAL 153 Cb 0.04 -3.72 0.02 0.00 -1.53 0.00 0.00 36.38 31.19 3h40 s VAL 153 CO 0.13 -0.35 -0.14 -0.55 -3.33 0.00 0.00 175.10 170.86 3h40 s SER 154 N -3.07 3.69 0.00 3.54 0.15 -1.26 -5.01 113.70 111.74 3h40 s SER 154 Ca 0.47 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.39 3h40 s SER 154 Cb -0.11 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 3h40 s SER 154 CO 0.29 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.30 3h40 n GLY 155 N 4.64 -1.69 3.84 9.45 0.00 -1.26 -4.76 105.19 115.41 3h40 n GLY 155 Ca -0.19 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 3h40 n GLY 155 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h40 s HIS 156 N 0.00 3.40 -0.23 1.61 3.76 -0.58 -4.97 115.29 118.28 3h40 s HIS 156 Ca 0.00 1.50 -0.03 0.00 -0.15 0.00 0.00 55.06 56.37 3h40 s HIS 156 Cb 0.00 -2.79 0.01 0.00 1.11 0.00 0.00 32.58 30.90 3h40 s HIS 156 CO 0.00 -0.25 -0.04 0.08 -0.85 0.00 0.00 174.74 173.68 3h40 s VAL 157 N -2.43 3.20 0.28 -0.90 1.01 -1.26 -1.15 120.40 119.16 3h40 s VAL 157 Ca 0.60 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 3h40 s VAL 157 Cb -0.10 -2.53 -0.14 0.00 0.00 0.00 0.00 36.38 33.62 3h40 s VAL 157 CO 0.24 0.32 1.17 0.00 0.00 0.00 0.00 175.10 176.83 3h40 n TYR 158 N 4.76 1.69 -2.32 5.22 4.19 0.09 -1.25 117.16 129.53 3h40 n TYR 158 Ca -0.17 0.62 -0.15 0.00 3.31 0.00 0.00 57.90 61.50 3h40 n TYR 158 Cb 0.49 -2.33 -0.01 0.00 0.49 0.00 0.00 39.34 37.98 3h40 n TYR 158 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 3h40 n ASN 159 N 1.33 -4.53 -4.12 2.98 5.15 -1.26 -2.47 115.26 112.33 3h40 n ASN 159 Ca 0.09 0.15 -0.35 0.00 -0.60 0.00 0.00 54.58 53.87 3h40 n ASN 159 Cb 0.32 -3.85 -0.04 0.00 -0.53 0.00 0.00 39.78 35.68 3h40 n ASN 159 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3h40 n ASN 160 N -1.75 -2.74 -4.77 1.20 5.15 -0.38 -4.85 115.26 107.11 3h40 n ASN 160 Ca -0.18 -0.92 -0.40 0.00 -0.60 0.00 0.00 54.58 52.49 3h40 n ASN 160 Cb 0.62 -2.29 -0.02 0.00 -0.53 0.00 0.00 39.78 37.56 3h40 n ASN 160 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3h40 s GLN 161 N -6.81 4.28 0.23 1.20 0.74 -1.03 -4.98 119.66 113.30 3h40 s GLN 161 Ca 0.69 2.02 -0.30 0.00 0.05 0.00 0.00 55.36 57.83 3h40 s GLN 161 Cb -0.39 -2.95 -0.09 0.00 1.10 0.00 0.00 33.01 30.69 3h40 s GLN 161 CO 0.85 -0.18 1.16 -1.12 -0.55 0.00 0.00 175.29 175.45 3h40 s SER 162 N -0.77 7.15 0.17 6.67 0.01 -1.26 -4.95 113.70 120.72 3h40 s SER 162 Ca 0.51 2.27 -0.18 0.00 1.31 0.00 0.00 55.95 59.86 3h40 s SER 162 Cb -0.35 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.18 3h40 s SER 162 CO 0.46 -0.28 0.64 -0.63 0.41 0.00 0.00 173.24 173.85 3h40 s ILE 163 N -0.60 4.69 -0.29 1.44 1.01 -1.26 -5.05 121.20 121.14 3h40 s ILE 163 Ca 0.49 1.12 0.03 0.00 0.00 0.00 0.00 60.65 62.29 3h40 s ILE 163 Cb -0.33 -3.83 0.08 0.00 0.01 0.00 0.00 42.46 38.39 3h40 s ILE 163 CO 0.39 0.27 -0.04 0.21 0.00 0.00 0.00 174.94 175.77 3h40 s ASN 164 N -1.60 4.59 0.19 3.58 3.84 -1.26 -4.98 114.94 119.32 3h40 s ASN 164 Ca 0.39 -1.70 0.16 0.00 0.21 0.00 0.00 52.86 51.92 3h40 s ASN 164 Cb -0.17 -1.59 0.78 0.00 -0.55 0.00 0.00 41.25 39.73 3h40 s ASN 164 CO 0.20 -0.27 1.48 0.18 -2.79 0.00 0.00 177.10 175.90 3h40 n LEU 165 N 4.37 0.38 -0.49 3.21 4.77 -1.26 -1.54 117.00 126.44 3h40 n LEU 165 Ca -0.07 0.65 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 3h40 n LEU 165 Cb 0.42 -0.67 0.22 0.00 -2.33 0.00 0.00 43.42 41.07 3h40 n LEU 165 CO 0.22 -0.69 0.56 0.18 -1.33 0.00 0.00 177.39 176.33 3h40 n LEU 166 N -1.98 1.79 -4.54 2.23 4.77 -1.26 -4.78 117.00 113.22 3h40 n LEU 166 Ca 0.00 -0.60 -0.43 0.00 -0.03 0.00 0.00 56.01 54.95 3h40 n LEU 166 Cb 0.08 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 3h40 n LEU 166 CO 0.09 0.32 0.57 -0.62 -1.33 0.00 0.00 177.39 176.43 3h40 s ASP 167 N -2.33 6.42 0.49 -1.43 -1.08 -0.59 -4.92 116.67 113.25 3h40 s ASP 167 Ca 0.25 -0.08 0.22 0.00 -0.52 0.00 0.00 52.55 52.43 3h40 s ASP 167 Cb 0.19 -2.39 1.28 0.00 -1.46 0.00 0.00 42.92 40.55 3h40 s ASP 167 CO 0.47 -0.91 1.96 1.62 0.52 0.00 0.00 175.17 178.83 3h40 h VAL 168 N 5.97 0.75 -0.22 1.11 3.04 -1.86 0.11 116.25 125.15 3h40 h VAL 168 Ca -0.25 -0.05 -0.13 0.00 -1.01 0.00 0.00 66.70 65.26 3h40 h VAL 168 Cb 1.09 0.59 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 3h40 h VAL 168 CO 0.96 0.03 -0.42 -0.07 -1.01 0.00 0.00 177.57 177.06 3h40 h LEU 169 N 0.14 0.55 -0.22 3.16 3.38 -1.94 -2.14 115.31 118.24 3h40 h LEU 169 Ca 0.30 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3h40 h LEU 169 Cb 0.99 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3h40 h LEU 169 CO -0.04 0.90 -0.04 0.45 0.09 0.00 0.00 178.44 179.80 3h40 h HIS 170 N 0.43 0.48 -0.52 1.13 3.86 -1.27 -2.33 115.15 116.92 3h40 h HIS 170 Ca 0.03 -0.10 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3h40 h HIS 170 Cb 0.91 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.22 3h40 h HIS 170 CO 0.03 0.65 0.29 0.82 0.86 0.00 0.00 177.93 180.58 3h40 h ILE 171 N 0.16 1.01 -0.19 2.45 1.08 -1.32 -0.25 117.51 120.45 3h40 h ILE 171 Ca 0.06 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3h40 h ILE 171 Cb 0.49 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 3h40 h ILE 171 CO 0.02 0.10 0.11 0.03 -0.69 0.00 0.00 178.15 177.72 3h40 h ARG 172 N 0.57 0.27 -0.07 2.37 3.08 -1.34 -1.35 114.38 117.91 3h40 h ARG 172 Ca 0.22 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 3h40 h ARG 172 Cb 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3h40 h ARG 172 CO -0.12 0.25 -0.24 -0.07 -1.07 0.00 0.00 179.97 178.72 3h40 h LEU 173 N 0.21 0.11 -0.36 3.04 3.38 -1.14 -0.07 115.31 120.48 3h40 h LEU 173 Ca 0.07 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3h40 h LEU 173 Cb 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3h40 h LEU 173 CO -0.01 0.35 -0.24 -0.07 0.09 0.00 0.00 178.44 178.57 3h40 h LEU 174 N 0.10 0.83 -0.89 1.67 3.38 -0.60 0.17 115.31 119.97 3h40 h LEU 174 Ca 0.02 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3h40 h LEU 174 Cb 0.49 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3h40 h LEU 174 CO 0.03 1.08 0.40 0.58 0.09 0.00 0.00 178.44 180.63 3h40 h VAL 175 N 0.58 1.26 -0.79 1.22 2.07 -0.85 0.15 116.25 119.88 3h40 h VAL 175 Ca 0.07 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.95 3h40 h VAL 175 Cb 0.80 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3h40 h VAL 175 CO 0.06 0.31 0.52 1.23 0.02 0.00 0.00 177.57 179.71 3h40 h GLY 176 N 1.20 1.08 1.55 2.17 0.00 -0.44 0.33 103.07 108.96 3h40 h GLY 176 Ca 0.29 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3h40 h GLY 176 CO -0.04 0.22 -0.32 1.48 0.00 0.00 0.00 176.54 177.88 3h40 h SER 177 N 0.80 0.52 -0.24 0.19 4.64 0.10 -1.42 113.55 118.15 3h40 h SER 177 Ca 0.35 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3h40 h SER 177 Cb 0.33 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3h40 h SER 177 CO -0.13 0.81 0.07 1.56 -0.87 0.00 0.00 176.83 178.27 3h40 h GLN 178 N 0.43 0.37 -0.63 4.77 4.20 -0.06 -0.87 115.11 123.31 3h40 h GLN 178 Ca 0.05 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3h40 h GLN 178 Cb 0.78 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 3h40 h GLN 178 CO 0.06 0.46 0.33 0.82 -0.67 0.00 0.00 178.83 179.84 3h40 h ILE 179 N 0.21 1.21 -0.80 2.54 2.04 -1.03 -0.86 117.51 120.82 3h40 h ILE 179 Ca 0.08 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.45 3h40 h ILE 179 Cb 0.25 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 3h40 h ILE 179 CO -0.00 0.23 0.49 0.00 0.00 0.00 0.00 178.15 178.87 3h40 h ALA 180 N 1.16 1.08 -0.66 1.87 0.00 -1.01 0.11 119.26 121.81 3h40 h ALA 180 Ca 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3h40 h ALA 180 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3h40 h ALA 180 CO -0.03 0.23 0.13 0.00 0.00 0.00 0.00 179.25 179.58 3h40 h ALA 181 N 1.37 0.88 -0.69 0.00 0.00 -0.57 -1.00 119.26 119.24 3h40 h ALA 181 Ca 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3h40 h ALA 181 Cb 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3h40 h ALA 181 CO -0.16 0.62 0.38 0.93 0.00 0.00 0.00 179.25 181.02 3h40 h GLU 182 N 1.00 0.96 -0.35 0.00 5.08 -0.03 -0.68 114.58 120.56 3h40 h GLU 182 Ca 0.20 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3h40 h GLU 182 Cb 0.41 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3h40 h GLU 182 CO 0.01 0.72 0.16 0.52 -1.00 0.00 0.00 179.01 179.42 3h40 h MET 183 N 0.95 0.51 -0.19 2.33 2.86 -0.50 -0.35 114.93 120.54 3h40 h MET 183 Ca 0.24 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 3h40 h MET 183 Cb 0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3h40 h MET 183 CO -0.04 0.47 -0.28 0.00 1.06 0.00 0.00 176.91 178.12 3h40 h ARG 184 N 0.43 0.36 -0.41 1.72 3.08 -0.94 -0.14 114.38 118.48 3h40 h ARG 184 Ca 0.12 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 3h40 h ARG 184 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3h40 h ARG 184 CO -0.01 0.62 -0.22 1.49 -1.07 0.00 0.00 179.97 180.77 3h40 h GLU 185 N 0.32 0.87 -0.46 0.04 4.57 -0.88 -2.13 114.58 116.90 3h40 h GLU 185 Ca 0.04 -0.39 -0.06 0.00 -1.18 0.00 0.00 59.36 57.78 3h40 h GLU 185 Cb 0.67 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 3h40 h GLU 185 CO 0.05 1.03 0.07 0.00 -1.18 0.00 0.00 179.01 178.98 3h40 h ALA 186 N 0.81 0.61 -0.87 2.92 0.00 -0.70 0.10 119.26 122.13 3h40 h ALA 186 Ca 0.09 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3h40 h ALA 186 Cb 0.78 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3h40 h ALA 186 CO 0.06 0.34 0.57 0.52 0.00 0.00 0.00 179.25 180.74 3h40 h MET 187 N 0.63 1.09 -0.03 0.00 2.86 -0.91 0.12 114.93 118.69 3h40 h MET 187 Ca 0.14 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3h40 h MET 187 Cb 0.39 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3h40 h MET 187 CO 0.01 0.72 -0.14 -0.92 1.06 0.00 0.00 176.91 177.64 3h40 h TYR 188 N 1.12 0.20 -0.25 -0.22 3.20 -1.06 -1.55 116.97 118.41 3h40 h TYR 188 Ca 0.33 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 3h40 h TYR 188 Cb -0.04 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3h40 h TYR 188 CO -0.00 0.79 -0.04 -0.97 -1.64 0.00 0.00 178.16 176.30 3h40 h ASN 189 N -0.45 0.46 0.97 -2.11 -0.73 -0.54 -0.26 115.58 112.93 3h40 h ASN 189 Ca -0.01 -0.35 -0.19 0.00 1.87 0.00 0.00 56.30 57.62 3h40 h ASN 189 Cb 0.81 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.24 3h40 h ASN 189 CO 0.03 0.70 -1.09 1.56 -0.37 0.00 0.00 177.43 178.26 3h40 h GLN 190 N 0.21 0.00 0.00 6.67 4.20 -0.90 -3.40 115.11 121.89 3h40 h GLN 190 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3h40 h GLN 190 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3h40 h GLN 190 CO 0.02 0.62 0.00 1.28 -0.67 0.00 0.00 178.83 180.08 3h40 n LEU 191 N -3.16 0.05 -0.18 1.46 4.77 -0.63 -5.03 117.00 114.28 3h40 n LEU 191 Ca -0.05 -0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 55.40 3h40 n LEU 191 Cb 0.89 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.96 3h40 n LEU 191 CO 0.44 0.01 -0.02 0.61 -1.33 0.00 0.00 177.39 177.10 3h40 n GLY 192 N 0.90 0.57 3.64 -0.72 0.00 -0.11 -4.96 105.19 104.52 3h40 n GLY 192 Ca 0.00 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 3h40 n GLY 192 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h40 s LEU 193 N -0.54 3.37 0.26 0.99 1.43 -1.07 -4.93 118.68 118.19 3h40 s LEU 193 Ca 0.00 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.18 3h40 s LEU 193 Cb 0.00 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3h40 s LEU 193 CO 0.00 0.34 0.26 0.42 0.23 0.00 0.00 176.35 177.60 3h40 s THR 194 N -0.92 4.57 -0.04 5.49 -4.23 -1.26 -2.75 115.64 116.49 3h40 s THR 194 Ca 0.15 -1.28 -0.31 0.00 -1.18 0.00 0.00 61.69 59.07 3h40 s THR 194 Cb -0.11 -3.50 0.12 0.00 1.34 0.00 0.00 72.50 70.35 3h40 s THR 194 CO 0.04 -0.32 1.34 -0.83 -0.54 0.00 0.00 174.62 174.31 3h40 s GLY 195 N -3.91 -0.38 0.27 3.99 0.00 -1.26 -3.37 107.32 102.66 3h40 s GLY 195 Ca 0.34 0.64 0.07 0.00 0.00 0.00 0.00 44.72 45.77 3h40 s GLY 195 CO 0.26 1.42 0.26 0.00 0.00 0.00 0.00 173.10 175.04 3h40 s ALA 197 N -2.14 -0.20 -0.04 0.00 0.00 -0.94 -0.70 121.76 117.74 3h40 s ALA 197 Ca 0.35 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.13 3h40 s ALA 197 Cb -0.08 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3h40 s ALA 197 CO 0.26 -0.17 -0.07 0.20 0.00 0.00 0.00 175.76 175.98 3h40 s GLY 198 N -1.21 0.50 -0.13 0.00 0.00 0.22 -1.72 107.32 104.98 3h40 s GLY 198 Ca -0.13 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.42 3h40 s GLY 198 CO 0.01 0.19 -0.20 0.14 0.00 0.00 0.00 173.10 173.24 3h40 s VAL 199 N 0.59 2.29 0.32 1.40 1.01 -0.52 -0.26 120.40 125.23 3h40 s VAL 199 Ca -0.09 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 3h40 s VAL 199 Cb -0.12 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.37 3h40 s VAL 199 CO 0.01 0.54 0.56 0.00 0.00 0.00 0.00 175.10 176.21 3h40 n ALA 200 N 3.87 -1.01 0.65 5.51 0.00 -0.51 -0.79 120.51 128.24 3h40 n ALA 200 Ca -0.19 -1.19 0.13 0.00 0.00 0.00 0.00 53.44 52.19 3h40 n ALA 200 Cb 0.52 0.95 0.41 0.00 0.00 0.00 0.00 19.45 21.34 3h40 n ALA 200 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h40 n SER 201 N -1.55 0.75 -3.59 0.00 3.41 -1.26 -0.13 113.62 111.26 3h40 n SER 201 Ca -0.04 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 59.00 3h40 n SER 201 Cb 0.50 -0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 3h40 n SER 201 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h40 s ASN 202 N -4.41 0.48 0.17 4.04 6.03 -1.26 -4.16 114.94 115.83 3h40 s ASN 202 Ca 0.11 -1.29 -0.11 0.00 -1.03 0.00 0.00 52.86 50.53 3h40 s ASN 202 Cb 0.13 0.61 0.06 0.00 -3.03 0.00 0.00 41.25 39.01 3h40 s ASN 202 CO 0.60 -1.20 1.67 0.11 -2.03 0.00 0.00 177.10 176.24 3h40 h LYS 203 N 2.21 0.92 0.30 3.55 1.57 -1.84 -2.12 116.57 121.17 3h40 h LYS 203 Ca -0.29 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3h40 h LYS 203 Cb 1.24 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 3h40 h LYS 203 CO 0.39 0.87 -0.46 1.25 -0.57 0.00 0.00 179.45 180.93 3h40 h LEU 204 N 0.82 -1.32 -0.82 2.94 6.46 -1.95 -0.97 115.31 120.48 3h40 h LEU 204 Ca 0.18 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 58.03 3h40 h LEU 204 Cb 0.37 0.47 -0.04 0.00 -0.73 0.00 0.00 40.66 40.73 3h40 h LEU 204 CO 0.00 -0.57 0.38 -0.07 -0.62 0.00 0.00 178.44 177.57 3h40 h LEU 205 N -0.82 1.08 -0.64 2.25 4.07 -1.87 -0.36 115.31 119.02 3h40 h LEU 205 Ca -0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 3h40 h LEU 205 Cb 0.77 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 3h40 h LEU 205 CO -0.16 0.92 0.32 0.00 -1.08 0.00 0.00 178.44 178.44 3h40 h ALA 206 N 1.20 0.82 -0.22 1.53 0.00 -1.24 0.18 119.26 121.54 3h40 h ALA 206 Ca 0.28 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3h40 h ALA 206 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3h40 h ALA 206 CO -0.03 0.37 -0.53 -0.22 0.00 0.00 0.00 179.25 178.84 3h40 h LYS 207 N 0.88 0.64 -0.17 0.00 3.64 -0.89 -1.31 116.57 119.35 3h40 h LYS 207 Ca 0.22 -0.39 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 3h40 h LYS 207 Cb 0.09 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3h40 h LYS 207 CO -0.03 1.00 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.62 3h40 h LEU 208 N 0.49 0.48 0.00 5.20 3.38 -0.66 -3.25 115.31 120.95 3h40 h LEU 208 Ca 0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3h40 h LEU 208 Cb 1.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3h40 h LEU 208 CO 0.10 0.88 -0.63 1.62 0.09 0.00 0.00 178.44 180.50 3h40 h VAL 209 N 0.36 0.32 -0.34 1.22 3.04 -0.55 -3.34 116.25 116.96 3h40 h VAL 209 Ca 0.02 -1.50 0.08 0.00 -1.01 0.00 0.00 66.70 64.29 3h40 h VAL 209 Cb 0.96 1.99 -0.02 0.00 -2.01 0.00 0.00 31.29 32.21 3h40 h VAL 209 CO 0.08 0.18 0.24 0.77 -1.01 0.00 0.00 177.57 177.83 3h40 h SER 210 N 0.00 0.09 -0.32 3.17 4.64 -1.27 -2.15 113.55 117.71 3h40 h SER 210 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3h40 h SER 210 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3h40 h SER 210 CO 0.03 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3h40 n GLY 211 N -1.57 0.93 0.16 -0.77 0.00 -1.25 -4.33 105.19 98.35 3h40 n GLY 211 Ca 0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 3h40 n GLY 211 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h40 h VAL 212 N 2.92 1.11 -3.50 1.61 2.07 -1.58 -3.23 116.25 115.65 3h40 h VAL 212 Ca 0.00 -0.25 -0.69 0.00 0.82 0.00 0.00 66.70 66.57 3h40 h VAL 212 Cb 0.65 0.67 -0.36 0.00 -1.52 0.00 0.00 31.29 30.74 3h40 h VAL 212 CO 0.00 0.11 -0.33 -0.36 0.02 0.00 0.00 177.57 177.01 3h40 s PHE 213 N -6.02 3.48 0.22 1.57 0.40 -1.26 -5.01 117.98 111.35 3h40 s PHE 213 Ca -0.13 -2.81 -0.14 0.00 -0.60 0.00 0.00 56.93 53.25 3h40 s PHE 213 Cb 0.10 -3.18 0.25 0.00 0.51 0.00 0.00 43.02 40.70 3h40 s PHE 213 CO 0.72 -0.81 1.61 -0.22 0.70 0.00 0.00 175.22 177.22 3h40 h LYS 214 N 6.77 -0.03 -5.29 0.44 1.63 -1.85 -3.37 116.57 114.87 3h40 h LYS 214 Ca 0.02 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 59.19 3h40 h LYS 214 Cb 0.92 0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 32.41 3h40 h LYS 214 CO 0.73 -0.02 -0.03 -2.14 -3.45 0.00 0.00 179.45 174.54 3h40 s PRO 215 N -6.19 3.75 -1.27 1.90 0.02 -1.26 -4.61 135.00 127.34 3h40 s PRO 215 Ca -0.14 -0.02 -0.26 0.00 0.02 0.00 0.00 61.00 60.60 3h40 s PRO 215 Cb 0.20 -3.77 0.03 0.00 0.02 0.00 0.00 34.50 30.98 3h40 s PRO 215 CO 0.73 -0.57 0.57 -1.71 -0.33 0.00 0.00 177.00 175.69 3h40 n ASN 216 N 5.72 -3.25 -3.44 2.53 5.15 -1.26 -4.95 115.26 115.75 3h40 n ASN 216 Ca -0.04 -1.26 -0.14 0.00 -0.60 0.00 0.00 54.58 52.54 3h40 n ASN 216 Cb 0.49 -1.91 -0.05 0.00 -0.53 0.00 0.00 39.78 37.78 3h40 n ASN 216 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3h40 s GLN 217 N -7.24 1.78 0.03 1.20 -0.21 -1.21 -4.85 119.66 109.16 3h40 s GLN 217 Ca 0.39 -1.72 -0.03 0.00 0.02 0.00 0.00 55.36 54.02 3h40 s GLN 217 Cb -0.20 0.42 -0.02 0.00 1.00 0.00 0.00 33.01 34.20 3h40 s GLN 217 CO 0.96 -0.72 0.03 1.14 -2.12 0.00 0.00 175.29 174.59 3h40 s GLN 218 N -3.32 0.46 0.02 2.91 -2.07 -1.26 -2.21 119.66 114.20 3h40 s GLN 218 Ca 0.32 -0.71 0.01 0.00 -1.82 0.00 0.00 55.36 53.15 3h40 s GLN 218 Cb 0.01 0.17 -0.02 0.00 -1.09 0.00 0.00 33.01 32.08 3h40 s GLN 218 CO 0.19 -0.10 -0.04 0.99 -1.32 0.00 0.00 175.29 175.01 3h40 s THR 219 N -2.15 0.25 -0.01 3.63 2.01 -0.70 -1.52 115.64 117.14 3h40 s THR 219 Ca -0.09 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.18 3h40 s THR 219 Cb -0.04 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 3h40 s THR 219 CO -0.03 -0.36 -0.25 0.54 -0.69 0.00 0.00 174.62 173.82 3h40 s VAL 220 N -1.18 2.00 -0.27 3.82 0.11 -0.30 -1.44 120.40 123.14 3h40 s VAL 220 Ca -0.11 -1.10 -0.08 0.00 -2.93 0.00 0.00 61.98 57.76 3h40 s VAL 220 Cb -0.08 -1.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.09 3h40 s VAL 220 CO -0.00 0.54 0.09 -0.22 -3.33 0.00 0.00 175.10 172.18 3h40 s LEU 221 N -0.65 3.68 0.22 2.54 2.96 0.03 -0.73 118.68 126.73 3h40 s LEU 221 Ca 0.10 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.46 3h40 s LEU 221 Cb -0.10 -1.92 -0.08 0.00 0.50 0.00 0.00 46.19 44.59 3h40 s LEU 221 CO -0.01 -0.11 0.61 -0.76 -1.32 0.00 0.00 176.35 174.77 3h40 s LEU 222 N 1.58 4.23 0.24 -0.68 1.43 -1.26 -4.69 118.68 119.53 3h40 s LEU 222 Ca 0.05 1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 54.15 3h40 s LEU 222 Cb -0.16 -3.61 0.32 0.00 0.03 0.00 0.00 46.19 42.77 3h40 s LEU 222 CO 0.04 -0.03 1.58 -0.65 0.23 0.00 0.00 176.35 177.52 3h40 h PRO 223 N 2.95 -0.02 0.00 1.29 0.11 -1.99 -0.81 132.00 133.53 3h40 h PRO 223 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h40 h PRO 223 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3h40 h PRO 223 CO 0.67 -0.01 0.23 0.93 -0.21 0.00 0.00 178.00 179.60 3h40 h GLU 224 N -0.02 0.00 -0.41 1.05 3.07 -2.01 -0.99 114.58 115.26 3h40 h GLU 224 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 3h40 h GLU 224 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3h40 h GLU 224 CO -0.87 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 177.17 3h40 n SER 225 N -2.19 3.17 -0.18 1.42 7.64 -0.31 -4.65 113.62 118.52 3h40 n SER 225 Ca -0.01 -1.94 -0.04 0.00 1.01 0.00 0.00 58.87 57.89 3h40 n SER 225 Cb 0.26 -0.27 0.06 0.00 -1.01 0.00 0.00 64.21 63.24 3h40 n SER 225 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h40 h GLN 227 N 0.53 1.11 -0.51 0.00 1.08 -1.82 -1.43 115.11 114.07 3h40 h GLN 227 Ca 0.24 -0.29 0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3h40 h GLN 227 Cb 0.15 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3h40 h GLN 227 CO -0.17 1.00 0.29 1.25 -0.95 0.00 0.00 178.83 180.25 3h40 h HIS 228 N 1.03 0.53 0.02 2.96 2.76 -1.77 0.14 115.15 120.83 3h40 h HIS 228 Ca 0.21 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 3h40 h HIS 228 Cb 0.42 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3h40 h HIS 228 CO 0.03 0.28 -0.01 1.25 -1.30 0.00 0.00 177.93 178.19 3h40 h LEU 229 N 0.56 -0.02 -0.59 0.26 6.46 -1.07 -1.04 115.31 119.87 3h40 h LEU 229 Ca 0.22 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3h40 h LEU 229 Cb 0.07 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 3h40 h LEU 229 CO -0.12 0.11 0.36 -0.29 -0.62 0.00 0.00 178.44 177.88 3h40 h ILE 230 N -0.16 1.17 0.00 4.05 6.09 -0.99 -1.74 117.51 125.93 3h40 h ILE 230 Ca -0.00 -0.39 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 3h40 h ILE 230 Cb 0.15 0.36 0.00 0.00 0.47 0.00 0.00 36.82 37.81 3h40 h ILE 230 CO 0.00 0.18 0.00 1.41 -3.07 0.00 0.00 178.15 176.67 3h40 n HIS 231 N -4.62 0.40 0.29 2.19 8.25 0.01 -2.56 115.22 119.19 3h40 n HIS 231 Ca 0.04 0.14 0.17 0.00 -0.26 0.00 0.00 57.72 57.81 3h40 n HIS 231 Cb 0.05 -0.72 0.67 0.00 1.12 0.00 0.00 29.99 31.11 3h40 n HIS 231 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3h40 h SER 232 N 0.00 0.00 -4.12 0.41 4.64 -0.23 -3.44 113.55 110.82 3h40 h SER 232 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3h40 h SER 232 Cb 0.45 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.62 3h40 h SER 232 CO 0.00 0.00 0.42 -0.76 -0.87 0.00 0.00 176.83 175.62 3h40 s LEU 233 N -5.97 3.64 0.00 5.97 1.43 -1.06 -4.97 118.68 117.72 3h40 s LEU 233 Ca 0.01 2.14 0.20 0.00 -1.03 0.00 0.00 54.13 55.45 3h40 s LEU 233 Cb 0.09 -4.57 -0.14 0.00 0.03 0.00 0.00 46.19 41.59 3h40 s LEU 233 CO 0.52 -1.35 0.89 0.59 0.23 0.00 0.00 176.35 177.24 3h40 n ASN 234 N -1.62 1.25 -3.56 2.29 3.02 -1.26 -4.78 115.26 110.60 3h40 n ASN 234 Ca 0.11 -1.13 -0.16 0.00 -0.03 0.00 0.00 54.58 53.38 3h40 n ASN 234 Cb 0.51 0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 40.45 3h40 n ASN 234 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3h40 s HIS 235 N -2.67 -0.64 0.54 3.10 2.46 -1.26 -4.80 115.29 112.02 3h40 s HIS 235 Ca 0.11 1.24 0.27 0.00 0.47 0.00 0.00 55.06 57.14 3h40 s HIS 235 Cb 0.15 0.38 1.44 0.00 -0.13 0.00 0.00 32.58 34.43 3h40 s HIS 235 CO 0.71 -0.51 1.98 -0.84 -2.47 0.00 0.00 174.74 173.61 3h40 h ILE 236 N 3.19 0.64 -0.34 0.89 3.07 -1.80 0.03 117.51 123.19 3h40 h ILE 236 Ca -0.26 0.00 0.10 0.00 1.55 0.00 0.00 64.86 66.25 3h40 h ILE 236 Cb 1.15 0.71 -0.01 0.00 -0.27 0.00 0.00 36.82 38.39 3h40 h ILE 236 CO 0.29 0.00 0.27 0.11 -1.05 0.00 0.00 178.15 177.78 3h40 h LYS 237 N 0.00 0.00 0.00 0.16 6.56 -1.87 -0.29 116.57 121.13 3h40 h LYS 237 Ca 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 3h40 h LYS 237 Cb 1.06 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.72 3h40 h LYS 237 CO -0.00 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 177.78 3h40 n GLU 238 N -4.23 0.12 -2.67 3.15 1.02 -0.00 -4.76 120.64 113.26 3h40 n GLU 238 Ca 0.05 0.27 -0.43 0.00 -0.02 0.00 0.00 57.16 57.03 3h40 n GLU 238 Cb 0.45 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 3h40 n GLU 238 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3h40 s ILE 239 N -3.13 4.74 0.11 -3.67 1.01 -0.12 -4.98 121.20 115.16 3h40 s ILE 239 Ca 0.08 2.03 -0.31 0.00 0.00 0.00 0.00 60.65 62.45 3h40 s ILE 239 Cb 0.12 -4.31 -0.10 0.00 0.01 0.00 0.00 42.46 38.18 3h40 s ILE 239 CO 0.42 -0.05 1.87 -2.84 0.00 0.00 0.00 174.94 174.34 3h40 s PRO 240 N 2.34 4.13 0.00 2.79 0.02 -1.26 -1.69 135.00 141.34 3h40 s PRO 240 Ca 0.47 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.10 3h40 s PRO 240 Cb -0.18 -3.72 0.00 0.00 0.02 0.00 0.00 34.50 30.63 3h40 s PRO 240 CO 0.15 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 3h40 n GLY 241 N 4.31 0.96 2.92 0.52 0.00 -1.26 -5.02 105.19 107.62 3h40 n GLY 241 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3h40 n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h40 s ILE 242 N -2.00 1.75 0.51 -0.61 1.01 -0.68 -4.97 121.20 116.21 3h40 s ILE 242 Ca 0.00 -1.94 -0.06 0.00 0.00 0.00 0.00 60.65 58.65 3h40 s ILE 242 Cb 0.00 -2.28 0.11 0.00 0.01 0.00 0.00 42.46 40.30 3h40 s ILE 242 CO 0.00 -0.59 0.70 0.61 0.00 0.00 0.00 174.94 175.66 3h40 n GLY 243 N 4.48 -0.45 0.26 6.18 0.00 -1.26 -4.70 105.19 109.70 3h40 n GLY 243 Ca 0.01 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.24 3h40 n GLY 243 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3h40 h TYR 244 N -1.04 0.08 0.00 1.61 3.20 -2.00 -1.86 116.97 116.96 3h40 h TYR 244 Ca -0.23 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.69 3h40 h TYR 244 Cb 0.71 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.06 3h40 h TYR 244 CO 0.00 -0.17 0.00 1.63 -1.64 0.00 0.00 178.16 177.98 3h40 n LYS 245 N -5.26 0.00 -0.24 1.82 4.76 -1.26 -2.78 118.16 115.20 3h40 n LYS 245 Ca 0.13 0.03 0.20 0.00 -2.87 0.00 0.00 58.31 55.80 3h40 n LYS 245 Cb 0.44 -1.02 0.37 0.00 -1.84 0.00 0.00 35.03 32.98 3h40 n LYS 245 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3h40 n THR 246 N -0.60 -0.31 0.15 -0.18 -1.04 -1.20 0.49 114.28 111.59 3h40 n THR 246 Ca 0.00 1.52 -0.14 0.00 -2.04 0.00 0.00 64.05 63.40 3h40 n THR 246 Cb 0.00 -2.39 -0.06 0.00 -1.82 0.00 0.00 70.33 66.05 3h40 n THR 246 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h40 h ALA 247 N 1.46 -0.53 -0.65 2.41 0.00 -1.36 0.49 119.26 121.08 3h40 h ALA 247 Ca 0.57 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.49 3h40 h ALA 247 Cb 1.42 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.62 3h40 h ALA 247 CO -0.60 -0.84 0.43 0.87 0.00 0.00 0.00 179.25 179.10 3h40 h LYS 248 N -0.54 0.56 -0.05 0.00 1.79 0.22 0.85 116.57 119.41 3h40 h LYS 248 Ca 0.01 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3h40 h LYS 248 Cb 0.54 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3h40 h LYS 248 CO -0.12 0.37 0.00 0.00 -1.08 0.00 0.00 179.45 178.62 3h40 h LEU 250 N -0.21 0.93 0.33 0.00 3.38 0.03 -2.71 115.31 117.06 3h40 h LEU 250 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3h40 h LEU 250 Cb 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h40 h LEU 250 CO 0.00 0.65 -0.16 -0.33 0.09 0.00 0.00 178.44 178.69 3h40 h GLU 251 N 1.08 -0.42 0.00 1.13 5.08 -0.67 -0.65 114.58 120.13 3h40 h GLU 251 Ca 0.33 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3h40 h GLU 251 Cb -0.02 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3h40 h GLU 251 CO -0.09 -0.21 0.38 0.00 -1.00 0.00 0.00 179.01 178.09 3h40 h ALA 252 N 0.08 1.31 -0.02 3.43 0.00 -0.98 1.96 119.26 125.04 3h40 h ALA 252 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h40 h ALA 252 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3h40 h ALA 252 CO 0.07 -0.31 -0.12 1.28 0.00 0.00 0.00 179.25 180.18 3h40 n LEU 253 N -2.36 2.46 0.00 0.00 4.77 -0.60 -4.95 117.00 116.31 3h40 n LEU 253 Ca -0.01 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3h40 n LEU 253 Cb 0.40 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3h40 n LEU 253 CO 0.08 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3h40 n GLY 254 N 1.34 0.76 3.55 -0.72 0.00 0.67 -5.02 105.19 105.76 3h40 n GLY 254 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3h40 n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h40 s ILE 255 N -2.81 4.66 -0.00 -0.61 1.01 -0.35 -4.85 121.20 118.25 3h40 s ILE 255 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.15 3h40 s ILE 255 Cb 0.00 -4.30 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 3h40 s ILE 255 CO 0.00 -0.67 -0.00 0.59 0.00 0.00 0.00 174.94 174.86 3h40 n ASN 256 N 6.66 3.59 -4.97 3.58 3.02 -1.26 -3.42 115.26 122.45 3h40 n ASN 256 Ca 0.02 -0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.37 3h40 n ASN 256 Cb 0.48 -0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3h40 n ASN 256 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h40 s SER 257 N -4.12 5.99 0.23 6.41 1.04 -1.26 -2.71 113.70 119.28 3h40 s SER 257 Ca -0.00 0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.38 3h40 s SER 257 Cb 0.00 -1.45 0.21 0.00 0.10 0.00 0.00 66.02 64.88 3h40 s SER 257 CO 0.01 -0.47 1.91 0.58 0.98 0.00 0.00 173.24 176.25 3h40 h VAL 258 N 0.76 1.23 -0.28 5.02 2.07 -1.89 -1.96 116.25 121.20 3h40 h VAL 258 Ca -0.47 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 3h40 h VAL 258 Cb 1.25 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3h40 h VAL 258 CO 0.56 0.22 -0.10 -0.09 0.02 0.00 0.00 177.57 178.18 3h40 h ARG 259 N 1.21 0.46 0.00 1.57 2.43 -1.94 -1.03 114.38 117.09 3h40 h ARG 259 Ca 0.33 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3h40 h ARG 259 Cb -0.14 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 3h40 h ARG 259 CO -0.07 0.57 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.45 3h40 h ASP 260 N 0.44 -0.18 -0.49 -3.80 3.32 -1.75 -0.31 116.42 113.64 3h40 h ASP 260 Ca 0.08 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.18 3h40 h ASP 260 Cb 0.44 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 3h40 h ASP 260 CO 0.02 -0.10 0.31 0.25 -1.72 0.00 0.00 179.24 178.00 3h40 h LEU 261 N -0.11 0.51 -1.40 1.55 5.85 -1.10 0.13 115.31 120.74 3h40 h LEU 261 Ca 0.03 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3h40 h LEU 261 Cb 0.15 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3h40 h LEU 261 CO -0.06 0.36 0.44 1.56 -0.34 0.00 0.00 178.44 180.39 3h40 h GLN 262 N 0.62 0.76 -0.02 1.25 4.20 -0.89 -2.76 115.11 118.27 3h40 h GLN 262 Ca 0.19 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3h40 h GLN 262 Cb -0.02 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.59 3h40 h GLN 262 CO -0.07 0.50 -0.26 0.25 -0.67 0.00 0.00 178.83 178.59 3h40 n THR 263 N -4.46 0.00 -1.19 -0.54 -2.24 -0.15 -4.97 114.28 100.73 3h40 n THR 263 Ca 0.08 -0.29 -0.31 0.00 -2.27 0.00 0.00 64.05 61.26 3h40 n THR 263 Cb 0.13 1.06 0.10 0.00 -2.10 0.00 0.00 70.33 69.52 3h40 n THR 263 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3h40 s PHE 264 N -2.30 2.47 -0.03 4.78 5.36 0.40 -4.95 117.98 123.71 3h40 s PHE 264 Ca 0.24 1.58 -0.30 0.00 -0.96 0.00 0.00 56.93 57.50 3h40 s PHE 264 Cb 0.19 -3.08 -0.05 0.00 -0.34 0.00 0.00 43.02 39.74 3h40 s PHE 264 CO 0.46 -1.92 1.40 0.45 -1.46 0.00 0.00 175.22 174.16 3h40 s SER 265 N -3.30 6.85 0.16 6.13 0.15 -1.26 -4.93 113.70 117.51 3h40 s SER 265 Ca 0.62 2.06 -0.15 0.00 0.70 0.00 0.00 55.95 59.18 3h40 s SER 265 Cb -0.18 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.68 3h40 s SER 265 CO 0.56 -0.74 1.73 -0.65 1.20 0.00 0.00 173.24 175.35 3h40 h PRO 266 N 8.02 0.23 0.06 5.44 0.11 -1.96 -2.54 132.00 141.36 3h40 h PRO 266 Ca -0.37 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.75 3h40 h PRO 266 Cb 1.17 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3h40 h PRO 266 CO 0.91 0.15 -0.47 0.87 -0.21 0.00 0.00 178.00 179.25 3h40 h LYS 267 N 0.23 -0.64 -0.54 1.05 6.56 -1.98 0.48 116.57 121.73 3h40 h LYS 267 Ca 0.19 0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.84 3h40 h LYS 267 Cb 0.21 0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 31.98 3h40 h LYS 267 CO -0.23 -0.43 0.33 0.82 -2.06 0.00 0.00 179.45 177.89 3h40 h ILE 268 N -0.66 1.07 -0.88 1.86 2.04 -1.95 0.44 117.51 119.43 3h40 h ILE 268 Ca 0.02 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3h40 h ILE 268 Cb 0.71 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3h40 h ILE 268 CO -0.30 0.12 0.47 0.25 0.00 0.00 0.00 178.15 178.69 3h40 h LEU 269 N 0.66 1.11 -0.58 1.44 5.85 -1.14 -1.56 115.31 121.10 3h40 h LEU 269 Ca 0.22 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 3h40 h LEU 269 Cb 0.01 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3h40 h LEU 269 CO -0.09 0.90 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.79 3h40 h GLU 270 N 1.24 1.06 0.00 1.25 4.81 0.91 -1.80 114.58 122.06 3h40 h GLU 270 Ca 0.31 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3h40 h GLU 270 Cb 0.05 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3h40 h GLU 270 CO -0.05 1.06 0.00 1.63 -0.73 0.00 0.00 179.01 180.93 3h40 n LYS 271 N -4.17 0.92 0.00 1.92 5.02 0.15 -2.23 118.16 119.77 3h40 n LYS 271 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3h40 n LYS 271 Cb 0.37 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 3h40 n LYS 271 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3h40 n GLU 272 N -0.95 3.30 0.00 1.97 2.13 -0.65 -4.81 120.64 121.62 3h40 n GLU 272 Ca 0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3h40 n GLU 272 Cb 0.09 -0.52 0.00 0.00 0.27 0.00 0.00 31.44 31.28 3h40 n GLU 272 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3h40 n LEU 273 N -0.69 0.23 0.00 4.31 4.77 -0.70 -5.09 117.00 119.83 3h40 n LEU 273 Ca 0.00 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3h40 n LEU 273 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3h40 n LEU 273 CO 0.00 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3h40 n GLY 274 N 0.67 2.28 0.28 -0.72 0.00 -0.95 -4.34 105.19 102.41 3h40 n GLY 274 Ca 0.00 -1.67 0.04 0.00 0.00 0.00 0.00 46.02 44.39 3h40 n GLY 274 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h40 h ILE 275 N 0.00 1.10 0.14 -0.61 2.10 -1.89 -0.36 117.51 117.99 3h40 h ILE 275 Ca 0.00 -0.33 -0.01 0.00 1.08 0.00 0.00 64.86 65.61 3h40 h ILE 275 Cb 0.00 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 36.57 3h40 h ILE 275 CO 0.00 0.12 -0.07 -1.28 -1.08 0.00 0.00 178.15 175.84 3h40 h SER 276 N 0.32 -0.16 -0.36 2.19 0.87 -1.92 -2.48 113.55 112.02 3h40 h SER 276 Ca 0.08 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.71 3h40 h SER 276 Cb 0.09 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.03 3h40 h SER 276 CO -0.01 -0.07 -0.03 0.58 -0.53 0.00 0.00 176.83 176.77 3h40 h VAL 277 N -0.28 0.70 0.07 2.23 2.07 -1.75 -2.14 116.25 117.15 3h40 h VAL 277 Ca -0.02 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3h40 h VAL 277 Cb 0.15 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3h40 h VAL 277 CO 0.03 0.01 -0.28 0.00 0.02 0.00 0.00 177.57 177.36 3h40 h ALA 278 N 1.33 -0.43 -0.05 1.67 0.00 -1.18 -0.87 119.26 119.73 3h40 h ALA 278 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3h40 h ALA 278 Cb 0.25 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3h40 h ALA 278 CO -0.32 -0.80 -0.20 -0.56 0.00 0.00 0.00 179.25 177.38 3h40 h GLN 279 N -0.46 0.08 0.10 0.00 3.07 -1.32 -2.51 115.11 114.08 3h40 h GLN 279 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.76 3h40 h GLN 279 Cb 0.51 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.06 3h40 h GLN 279 CO -0.19 0.28 -0.05 -0.09 0.09 0.00 0.00 178.83 178.87 3h40 h ARG 280 N 0.08 -0.13 0.00 0.06 2.43 -0.92 -2.98 114.38 112.91 3h40 h ARG 280 Ca 0.01 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3h40 h ARG 280 Cb 0.40 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3h40 h ARG 280 CO 0.03 0.37 -0.11 -0.84 -1.51 0.00 0.00 179.97 177.91 3h40 h ILE 281 N -0.81 0.39 -0.01 1.20 3.07 -1.18 -1.73 117.51 118.44 3h40 h ILE 281 Ca -0.01 -0.63 -0.18 0.00 1.55 0.00 0.00 64.86 65.59 3h40 h ILE 281 Cb 0.57 1.45 -0.01 0.00 -0.27 0.00 0.00 36.82 38.56 3h40 h ILE 281 CO 0.02 0.11 -0.81 -0.61 -1.05 0.00 0.00 178.15 175.82 3h40 h GLN 282 N 0.00 0.16 -0.17 0.16 4.15 -1.52 -2.01 115.11 115.88 3h40 h GLN 282 Ca -0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 3h40 h GLN 282 Cb 0.44 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3h40 h GLN 282 CO 0.01 0.88 0.05 0.87 -1.93 0.00 0.00 178.83 178.72 3h40 h LYS 283 N 0.10 0.27 -0.86 1.69 1.79 -1.19 -2.69 116.57 115.68 3h40 h LYS 283 Ca -0.03 -0.06 0.11 0.00 -2.18 0.00 0.00 60.65 58.49 3h40 h LYS 283 Cb 1.41 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.96 3h40 h LYS 283 CO 0.12 0.39 0.55 -0.07 -1.08 0.00 0.00 179.45 179.36 3h40 h LEU 284 N 0.09 0.70 -2.41 2.94 3.38 -1.04 0.84 115.31 119.80 3h40 h LEU 284 Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3h40 h LEU 284 Cb 0.23 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3h40 h LEU 284 CO -0.00 0.39 -0.03 0.77 0.09 0.00 0.00 178.44 179.66 3h40 h SER 285 N 0.76 0.00 -0.24 -0.43 4.64 -1.02 0.34 113.55 117.60 3h40 h SER 285 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3h40 h SER 285 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3h40 h SER 285 CO -0.17 0.03 0.00 0.49 -0.87 0.00 0.00 176.83 176.30 3h40 n PHE 286 N -3.64 0.30 -0.95 4.77 3.01 0.19 -4.85 117.46 116.30 3h40 n PHE 286 Ca -0.03 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.28 3h40 n PHE 286 Cb 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 3h40 n PHE 286 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h40 n GLY 287 N 1.30 0.46 3.76 1.37 0.00 0.12 -4.89 105.19 107.29 3h40 n GLY 287 Ca 0.17 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 3h40 n GLY 287 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h40 s GLU 288 N -1.17 4.06 -0.30 1.61 2.02 -0.62 -4.81 118.70 119.49 3h40 s GLU 288 Ca 0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 54.97 54.83 3h40 s GLU 288 Cb 0.00 -3.38 0.19 0.00 0.10 0.00 0.00 34.13 31.04 3h40 s GLU 288 CO 0.00 0.38 0.71 0.34 0.02 0.00 0.00 175.26 176.72 3h40 s ASP 289 N 0.10 -1.22 0.00 -0.19 2.15 -1.26 -2.50 116.67 113.74 3h40 s ASP 289 Ca 0.11 0.50 0.19 0.00 0.43 0.00 0.00 52.55 53.77 3h40 s ASP 289 Cb -0.12 1.92 0.53 0.00 -0.30 0.00 0.00 42.92 44.95 3h40 s ASP 289 CO 0.00 -0.23 1.43 0.59 -0.17 0.00 0.00 175.17 176.80 3h40 n ASN 290 N 5.40 2.53 -4.76 -0.34 3.02 -1.26 -4.55 115.26 115.31 3h40 n ASN 290 Ca 0.01 -1.91 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 3h40 n ASN 290 Cb 0.53 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 3h40 n ASN 290 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3h40 n SER 291 N 0.88 3.83 -4.87 6.41 3.41 -1.26 -4.97 113.62 117.06 3h40 n SER 291 Ca 0.17 1.18 -0.31 0.00 -0.26 0.00 0.00 58.87 59.65 3h40 n SER 291 Cb 0.43 -1.60 -0.00 0.00 -0.26 0.00 0.00 64.21 62.78 3h40 n SER 291 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3h40 s PRO 292 N -1.10 3.69 -0.06 4.33 0.04 -1.26 -4.69 135.00 135.95 3h40 s PRO 292 Ca 0.60 0.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 3h40 s PRO 292 Cb -0.49 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 3h40 s PRO 292 CO 0.54 -0.45 1.07 0.08 0.04 0.00 0.00 177.00 178.28 3h40 s VAL 293 N -2.97 4.60 -0.16 -0.36 1.01 -1.26 -5.01 120.40 116.26 3h40 s VAL 293 Ca 0.55 1.88 -0.10 0.00 0.00 0.00 0.00 61.98 64.32 3h40 s VAL 293 Cb -0.11 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3h40 s VAL 293 CO 0.47 0.04 0.18 -0.63 0.00 0.00 0.00 175.10 175.15 3h40 s ILE 294 N 1.82 5.40 -0.30 2.22 -1.09 -1.26 -4.92 121.20 123.07 3h40 s ILE 294 Ca 0.52 0.30 -0.28 0.00 -2.23 0.00 0.00 60.65 58.95 3h40 s ILE 294 Cb -0.21 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 3h40 s ILE 294 CO 0.22 0.49 1.82 -0.22 -1.23 0.00 0.00 174.94 176.02 3h40 s LEU 295 N -0.14 3.56 0.04 2.97 0.20 -1.26 -3.27 118.68 120.78 3h40 s LEU 295 Ca 0.13 1.42 -0.23 0.00 0.69 0.00 0.00 54.13 56.14 3h40 s LEU 295 Cb -0.12 -3.53 -0.15 0.00 -0.43 0.00 0.00 46.19 41.96 3h40 s LEU 295 CO 0.02 -1.67 1.47 0.28 -0.29 0.00 0.00 176.35 176.16 3h40 h SER 296 N 12.78 0.13 0.00 3.68 0.02 -1.67 -3.49 113.55 125.00 3h40 h SER 296 Ca -0.35 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 3h40 h SER 296 Cb 1.17 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3h40 h SER 296 CO 1.02 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 177.72 3h40 n GLY 297 N -0.29 0.57 3.77 -3.77 0.00 -1.26 -4.77 105.19 99.43 3h40 n GLY 297 Ca -0.07 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 3h40 n GLY 297 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h40 s PRO 298 N 0.00 2.37 0.47 1.61 0.02 -1.26 -4.98 135.00 133.23 3h40 s PRO 298 Ca 0.00 1.23 -0.24 0.00 0.02 0.00 0.00 61.00 62.01 3h40 s PRO 298 Cb 0.00 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 3h40 s PRO 298 CO 0.00 -1.57 1.40 -2.14 -0.33 0.00 0.00 177.00 174.36 3h40 s PRO 299 N -4.70 3.56 0.00 5.54 0.02 -1.26 -4.92 135.00 133.23 3h40 s PRO 299 Ca 0.63 2.35 0.26 0.00 0.02 0.00 0.00 61.00 64.26 3h40 s PRO 299 Cb -0.18 -2.55 0.74 0.00 0.02 0.00 0.00 34.50 32.52 3h40 s PRO 299 CO 0.53 -0.89 1.57 1.04 -0.33 0.00 0.00 177.00 178.91 3h40 n GLN 300 N -0.40 0.14 -3.45 5.54 1.13 -1.26 -4.93 117.38 114.14 3h40 n GLN 300 Ca 0.06 -0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3h40 n GLN 300 Cb 0.43 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.26 3h40 n GLN 300 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3h40 s SER 301 N -2.91 -0.50 -0.03 1.08 1.04 -1.26 -4.02 113.70 107.09 3h40 s SER 301 Ca 0.14 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.58 3h40 s SER 301 Cb 0.18 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.84 3h40 s SER 301 CO 0.63 -0.86 -0.07 -0.36 0.98 0.00 0.00 173.24 173.56 3h40 s PHE 302 N -3.55 0.84 0.10 5.02 0.40 -0.60 -5.01 117.98 115.18 3h40 s PHE 302 Ca 0.02 -0.22 -0.25 0.00 -0.60 0.00 0.00 56.93 55.88 3h40 s PHE 302 Cb -0.01 -0.65 0.07 0.00 0.51 0.00 0.00 43.02 42.95 3h40 s PHE 302 CO -0.11 -0.13 0.63 -1.54 0.70 0.00 0.00 175.22 174.77 3h40 s SER 303 N 0.45 -0.59 0.00 1.36 1.04 -1.26 -0.27 113.70 114.43 3h40 s SER 303 Ca -0.07 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.57 3h40 s SER 303 Cb -0.10 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 3h40 s SER 303 CO 0.01 -0.86 -0.04 -1.61 0.98 0.00 0.00 173.24 171.71 3h40 s GLU 304 N -3.05 0.34 0.00 4.02 2.02 -1.13 -5.03 118.70 115.87 3h40 s GLU 304 Ca -0.02 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.74 3h40 s GLU 304 Cb -0.01 -0.29 0.00 0.00 0.10 0.00 0.00 34.13 33.93 3h40 s GLU 304 CO -0.07 0.08 0.00 0.39 0.02 0.00 0.00 175.26 175.68 3h40 n GLU 305 N 2.75 2.60 0.00 1.61 1.02 -1.26 -2.69 120.64 124.67 3h40 n GLU 305 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 3h40 n GLU 305 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 3h40 n GLU 305 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3h40 n ASP 306 N -0.79 0.00 -4.35 1.62 -0.08 -1.15 -4.92 116.55 106.88 3h40 n ASP 306 Ca 0.00 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.94 3h40 n ASP 306 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 3h40 n ASP 306 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3h40 s SER 307 N 0.00 4.20 0.22 1.67 1.04 -1.26 -1.54 113.70 118.03 3h40 s SER 307 Ca 0.00 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.14 3h40 s SER 307 Cb 0.00 -1.68 -0.03 0.00 0.10 0.00 0.00 66.02 64.40 3h40 s SER 307 CO 0.00 0.08 0.26 -0.36 0.98 0.00 0.00 173.24 174.20 3h40 s PHE 308 N 0.88 3.30 0.00 5.02 0.40 0.11 -4.96 117.98 122.73 3h40 s PHE 308 Ca -0.02 -0.03 -0.03 0.00 -0.60 0.00 0.00 56.93 56.25 3h40 s PHE 308 Cb -0.15 -1.52 -0.12 0.00 0.51 0.00 0.00 43.02 41.74 3h40 s PHE 308 CO 0.01 0.49 2.11 0.36 0.70 0.00 0.00 175.22 178.88 3h40 n LYS 309 N -1.07 1.06 -3.35 0.44 0.00 -1.26 -4.39 118.16 109.60 3h40 n LYS 309 Ca -0.08 -0.46 -0.16 0.00 -0.00 0.00 0.00 58.31 57.61 3h40 n LYS 309 Cb 0.57 -1.66 0.08 0.00 -0.00 0.00 0.00 35.03 34.02 3h40 n LYS 309 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3h40 n LYS 310 N 2.46 -6.29 -2.86 -1.58 4.76 -1.26 -4.96 118.16 108.43 3h40 n LYS 310 Ca 0.20 0.80 -0.29 0.00 -2.87 0.00 0.00 58.31 56.15 3h40 n LYS 310 Cb 0.50 -5.67 -0.03 0.00 -1.84 0.00 0.00 35.03 27.98 3h40 n LYS 310 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h40 s SER 312 N -3.22 3.44 0.00 0.00 0.15 -1.26 -5.01 113.70 107.80 3h40 s SER 312 Ca 0.48 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.89 3h40 s SER 312 Cb 0.28 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 3h40 s SER 312 CO -0.15 -0.43 0.26 -1.54 1.20 0.00 0.00 173.24 172.58 3h40 n SER 313 N 5.24 0.68 0.00 5.45 3.41 -1.26 -4.71 113.62 122.43 3h40 n SER 313 Ca -0.06 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 3h40 n SER 313 Cb 0.43 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3h40 n SER 313 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h40 n GLU 314 N 0.56 0.00 -3.87 4.33 4.71 -1.26 -4.87 120.64 120.24 3h40 n GLU 314 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 3h40 n GLU 314 Cb 0.13 -2.17 -0.07 0.00 -1.01 0.00 0.00 31.44 28.32 3h40 n GLU 314 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3h40 s VAL 315 N -0.77 0.14 0.00 2.62 -7.23 -1.26 -4.86 120.40 109.04 3h40 s VAL 315 Ca 0.00 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 3h40 s VAL 315 Cb 0.00 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.54 3h40 s VAL 315 CO 0.00 -0.62 0.00 -1.84 -0.31 0.00 0.00 175.10 172.33 3h40 n GLU 316 N -0.07 0.00 0.00 4.82 0.28 -1.26 -4.60 120.64 119.81 3h40 n GLU 316 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 3h40 n GLU 316 Cb 0.62 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.97 3h40 n GLU 316 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h40 n ALA 317 N 0.13 2.21 1.27 -1.84 0.00 -1.26 -2.73 120.51 118.28 3h40 n ALA 317 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3h40 n ALA 317 Cb 0.00 -1.00 0.52 0.00 0.00 0.00 0.00 19.45 18.97 3h40 n ALA 317 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h40 n LYS 318 N -0.23 0.52 0.29 0.00 4.01 -1.26 -3.15 118.16 118.34 3h40 n LYS 318 Ca 0.00 -0.21 0.17 0.00 -0.51 0.00 0.00 58.31 57.76 3h40 n LYS 318 Cb 0.08 -1.50 0.84 0.00 -0.51 0.00 0.00 35.03 33.95 3h40 n LYS 318 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 3h40 h ASN 319 N 0.52 0.00 -0.22 4.39 7.08 -1.92 -0.79 115.58 124.65 3h40 h ASN 319 Ca 0.00 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.06 3h40 h ASN 319 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.66 3h40 h ASN 319 CO 0.00 0.05 -0.48 0.07 -2.08 0.00 0.00 177.43 175.00 3h40 h LYS 320 N 0.00 0.71 0.00 4.14 2.10 -1.83 -2.75 116.57 118.93 3h40 h LYS 320 Ca -0.00 -0.47 -0.02 0.00 -2.00 0.00 0.00 60.65 58.16 3h40 h LYS 320 Cb 0.31 0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.70 3h40 h LYS 320 CO 0.01 1.09 -0.11 0.82 -2.00 0.00 0.00 179.45 179.25 3h40 h ILE 321 N 0.42 0.83 0.00 0.07 2.04 -1.35 0.13 117.51 119.65 3h40 h ILE 321 Ca 0.00 -0.43 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 3h40 h ILE 321 Cb 1.09 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3h40 h ILE 321 CO 0.11 0.11 -0.55 -0.33 0.00 0.00 0.00 178.15 177.49 3h40 h GLU 322 N 0.00 0.00 -0.04 2.37 5.08 -1.11 -2.22 114.58 118.66 3h40 h GLU 322 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3h40 h GLU 322 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 3h40 h GLU 322 CO 0.01 0.55 -0.32 1.49 -1.00 0.00 0.00 179.01 179.74 3h40 h GLU 323 N 0.00 0.28 -0.06 2.33 4.81 -0.77 -2.30 114.58 118.88 3h40 h GLU 323 Ca -0.01 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.00 3h40 h GLU 323 Cb 1.02 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 3h40 h GLU 323 CO 0.07 0.93 -0.16 -0.07 -0.73 0.00 0.00 179.01 179.05 3h40 h LEU 324 N -0.27 -0.47 -1.30 1.64 3.38 -1.26 -1.78 115.31 115.25 3h40 h LEU 324 Ca -0.03 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3h40 h LEU 324 Cb 1.01 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 3h40 h LEU 324 CO 0.07 -0.21 0.55 0.25 0.09 0.00 0.00 178.44 179.18 3h40 h LEU 325 N -0.23 0.69 0.17 1.67 6.46 -1.45 -1.76 115.31 120.86 3h40 h LEU 325 Ca 0.07 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3h40 h LEU 325 Cb 0.33 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 3h40 h LEU 325 CO -0.20 0.39 -0.33 0.00 -0.62 0.00 0.00 178.44 177.69 3h40 h ALA 326 N 1.59 -0.90 -0.02 1.25 0.00 -0.72 0.22 119.26 120.68 3h40 h ALA 326 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3h40 h ALA 326 Cb 0.52 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3h40 h ALA 326 CO -0.17 -0.96 -0.00 0.77 0.00 0.00 0.00 179.25 178.89 3h40 h SER 327 N -0.54 -0.02 -0.29 0.00 0.02 -1.41 -2.89 113.55 108.43 3h40 h SER 327 Ca -0.02 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3h40 h SER 327 Cb 0.51 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.98 3h40 h SER 327 CO -0.13 -0.00 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.17 3h40 h LEU 328 N 0.00 -1.05 -1.25 5.07 3.38 -1.20 -0.25 115.31 120.02 3h40 h LEU 328 Ca 0.01 0.17 0.24 0.00 0.09 0.00 0.00 57.88 58.40 3h40 h LEU 328 Cb 0.01 0.47 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 3h40 h LEU 328 CO -0.02 -0.33 0.64 -0.07 0.09 0.00 0.00 178.44 178.74 3h40 h LEU 329 N -0.31 0.54 -0.72 1.67 3.38 -0.40 1.11 115.31 120.58 3h40 h LEU 329 Ca 0.14 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 3h40 h LEU 329 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3h40 h LEU 329 CO -0.46 0.13 -0.54 -1.13 0.09 0.00 0.00 178.44 176.53 3h40 h ASN 330 N 0.49 0.00 0.00 -0.43 -0.73 -0.91 -2.12 115.58 111.89 3h40 h ASN 330 Ca 0.59 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.74 3h40 h ASN 330 Cb 1.31 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.90 3h40 h ASN 330 CO -0.33 0.54 -0.15 0.03 -0.37 0.00 0.00 177.43 177.15 3h40 h ARG 331 N 0.00 0.00 -0.97 6.67 3.08 0.20 -2.89 114.38 120.47 3h40 h ARG 331 Ca -0.01 0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.29 3h40 h ARG 331 Cb 1.08 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.07 3h40 h ARG 331 CO 0.07 0.55 0.65 0.28 -1.07 0.00 0.00 179.97 180.45 3h40 h VAL 332 N -1.00 0.58 0.00 2.04 2.07 0.77 -2.70 116.25 118.00 3h40 h VAL 332 Ca -0.03 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3h40 h VAL 332 Cb 0.61 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3h40 h VAL 332 CO -0.02 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.62 3h40 n GLN 334 N -0.56 -0.04 -0.32 0.00 1.13 -1.03 0.45 117.38 117.02 3h40 n GLN 334 Ca 0.00 0.23 0.17 0.00 -1.94 0.00 0.00 57.00 55.46 3h40 n GLN 334 Cb 0.00 -0.34 0.37 0.00 0.11 0.00 0.00 30.24 30.38 3h40 n GLN 334 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 3h40 h ASP 335 N 0.00 0.34 0.00 1.08 3.58 -1.64 -3.46 116.42 116.32 3h40 h ASP 335 Ca 0.05 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.68 3h40 h ASP 335 Cb 0.09 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.30 3h40 h ASP 335 CO -0.15 -0.08 0.00 0.61 -2.88 0.00 0.00 179.24 176.74 3h40 n GLY 336 N -1.33 3.09 3.69 -0.78 0.00 0.17 -5.06 105.19 104.97 3h40 n GLY 336 Ca 0.26 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 3h40 n GLY 336 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h40 s ARG 337 N 0.00 1.23 0.00 1.61 0.52 -1.26 -5.02 118.95 116.03 3h40 s ARG 337 Ca 0.00 1.19 0.08 0.00 -0.52 0.00 0.00 55.73 56.48 3h40 s ARG 337 Cb 0.00 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.67 3h40 s ARG 337 CO 0.00 -2.37 -0.25 -1.59 0.02 0.00 0.00 175.30 171.11 3h40 s LYS 338 N -4.77 1.91 0.05 3.54 0.00 -0.77 -4.78 119.74 114.93 3h40 s LYS 338 Ca 0.64 -0.95 -0.24 0.00 0.00 0.00 0.00 55.97 55.43 3h40 s LYS 338 Cb -0.20 -1.92 -0.06 0.00 0.00 0.00 0.00 37.83 35.65 3h40 s LYS 338 CO 0.58 0.52 0.71 -1.25 0.00 0.00 0.00 175.35 175.91 3h40 s PRO 339 N -0.81 4.44 -0.17 1.78 0.04 -1.26 -1.49 135.00 137.54 3h40 s PRO 339 Ca 0.10 0.98 0.16 0.00 0.04 0.00 0.00 61.00 62.28 3h40 s PRO 339 Cb -0.10 -3.33 0.53 0.00 0.04 0.00 0.00 34.50 31.64 3h40 s PRO 339 CO 0.00 0.38 1.43 0.72 0.04 0.00 0.00 177.00 179.57 3h40 n HIS 340 N 2.51 0.97 -3.69 0.56 8.25 -0.66 -4.88 115.22 118.29 3h40 n HIS 340 Ca -0.05 -0.83 -0.14 0.00 -0.26 0.00 0.00 57.72 56.44 3h40 n HIS 340 Cb 0.50 -0.30 -0.09 0.00 1.12 0.00 0.00 29.99 31.23 3h40 n HIS 340 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3h40 s THR 341 N -2.65 0.01 0.24 1.59 2.01 -1.14 -3.08 115.64 112.60 3h40 s THR 341 Ca 0.41 -0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.39 3h40 s THR 341 Cb 0.33 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 3h40 s THR 341 CO 0.10 -0.04 -0.05 0.54 -0.69 0.00 0.00 174.62 174.48 3h40 s VAL 342 N -0.17 1.34 0.10 3.82 0.11 -0.88 -2.00 120.40 122.72 3h40 s VAL 342 Ca -0.04 -2.09 -0.21 0.00 -2.93 0.00 0.00 61.98 56.71 3h40 s VAL 342 Cb -0.03 -2.29 0.05 0.00 -1.53 0.00 0.00 36.38 32.58 3h40 s VAL 342 CO 0.02 -0.39 0.52 -0.60 -3.33 0.00 0.00 175.10 171.32 3h40 s ARG 343 N -3.78 1.13 -0.03 1.54 3.52 -0.68 -2.61 118.95 118.04 3h40 s ARG 343 Ca 0.27 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.46 3h40 s ARG 343 Cb 0.04 0.51 0.02 0.00 -1.56 0.00 0.00 34.95 33.96 3h40 s ARG 343 CO 0.09 -0.45 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.60 3h40 s LEU 344 N -2.41 1.47 0.14 -0.88 1.02 -1.24 -1.85 118.68 114.93 3h40 s LEU 344 Ca -0.01 -0.07 0.09 0.00 0.02 0.00 0.00 54.13 54.16 3h40 s LEU 344 Cb -0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 46.19 45.89 3h40 s LEU 344 CO -0.08 -0.04 -0.22 -0.63 0.02 0.00 0.00 176.35 175.40 3h40 s ILE 345 N 0.65 1.98 0.33 -0.59 1.01 -0.73 -2.26 121.20 121.58 3h40 s ILE 345 Ca -0.07 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 58.79 3h40 s ILE 345 Cb -0.10 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 3h40 s ILE 345 CO -0.01 -0.12 0.40 0.27 0.00 0.00 0.00 174.94 175.48 3h40 s ILE 346 N -1.50 0.00 0.18 2.92 -4.36 -0.35 -2.79 121.20 115.29 3h40 s ILE 346 Ca 0.13 -1.73 -0.02 0.00 -0.26 0.00 0.00 60.65 58.77 3h40 s ILE 346 Cb -0.08 -2.58 -0.04 0.00 1.25 0.00 0.00 42.46 41.01 3h40 s ILE 346 CO 0.06 0.00 0.14 -0.60 0.24 0.00 0.00 174.94 174.78 3h40 s ARG 347 N -3.26 1.14 -0.09 0.37 3.52 -1.16 -3.08 118.95 116.39 3h40 s ARG 347 Ca 0.34 -1.53 -0.05 0.00 -0.13 0.00 0.00 55.73 54.36 3h40 s ARG 347 Cb 0.01 0.28 0.04 0.00 -1.56 0.00 0.00 34.95 33.72 3h40 s ARG 347 CO 0.22 -0.37 0.22 1.03 -0.81 0.00 0.00 175.30 175.58 3h40 s ARG 348 N -4.11 0.19 0.22 5.12 0.52 -1.26 -1.08 118.95 118.55 3h40 s ARG 348 Ca 0.32 0.46 -0.23 0.00 -0.52 0.00 0.00 55.73 55.76 3h40 s ARG 348 Cb 0.06 -0.10 -0.08 0.00 0.52 0.00 0.00 34.95 35.35 3h40 s ARG 348 CO 0.08 -0.15 0.79 1.52 0.02 0.00 0.00 175.30 177.57 3h40 s TYR 349 N 1.09 3.76 0.00 -0.53 -0.85 -1.26 -4.76 117.35 114.79 3h40 s TYR 349 Ca -0.08 1.57 0.00 0.00 -0.52 0.00 0.00 57.07 58.04 3h40 s TYR 349 Cb -0.09 -2.74 0.00 0.00 0.38 0.00 0.00 41.96 39.50 3h40 s TYR 349 CO -0.07 0.38 0.00 -1.13 -1.52 0.00 0.00 175.55 173.21 3h40 n SER 350 N 1.02 0.00 -2.26 -0.18 3.41 -1.26 -5.09 113.62 109.26 3h40 n SER 350 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3h40 n SER 350 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3h40 n SER 350 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3h40 n SER 351 N 0.00 0.00 -3.57 4.04 2.88 -1.26 -4.92 113.62 110.79 3h40 n SER 351 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 3h40 n SER 351 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 3h40 n SER 351 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3h40 n GLU 352 N 0.00 5.20 -1.91 -1.46 0.00 -1.26 -4.96 120.64 116.26 3h40 n GLU 352 Ca 0.00 -4.58 -0.25 0.00 0.00 0.00 0.00 57.16 52.33 3h40 n GLU 352 Cb 0.00 -2.45 -0.05 0.00 0.00 0.00 0.00 31.44 28.94 3h40 n GLU 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 3h40 s LYS 353 N -4.30 2.30 0.00 5.31 -2.85 -1.26 -4.77 119.74 114.17 3h40 s LYS 353 Ca 0.40 0.06 0.07 0.00 -1.00 0.00 0.00 55.97 55.51 3h40 s LYS 353 Cb 0.21 -4.91 0.42 0.00 -2.06 0.00 0.00 37.83 31.50 3h40 s LYS 353 CO -0.15 -3.59 0.90 1.58 0.10 0.00 0.00 175.35 174.19 3h40 n HIS 354 N 15.13 0.00 -3.15 1.78 -0.00 -1.26 -4.34 115.22 123.38 3h40 n HIS 354 Ca 0.40 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 58.17 3h40 n HIS 354 Cb 0.47 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.99 30.42 3h40 n HIS 354 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3h40 s TYR 355 N -2.04 -0.79 -0.29 1.57 2.02 -1.26 -5.14 117.35 111.41 3h40 s TYR 355 Ca 0.10 0.77 0.04 0.00 -0.37 0.00 0.00 57.07 57.61 3h40 s TYR 355 Cb 0.05 0.25 0.20 0.00 -0.40 0.00 0.00 41.96 42.06 3h40 s TYR 355 CO 0.08 -0.44 0.62 0.20 -1.57 0.00 0.00 175.55 174.45 3h40 s GLY 356 N 2.93 -1.19 0.04 0.71 0.00 -1.26 -5.15 107.32 103.40 3h40 s GLY 356 Ca 0.07 1.28 0.01 0.00 0.00 0.00 0.00 44.72 46.08 3h40 s GLY 356 CO -0.15 3.66 -0.05 0.50 0.00 0.00 0.00 173.10 177.06 3h40 s ARG 357 N 2.84 0.51 0.02 2.90 0.52 -1.26 -4.63 118.95 119.85 3h40 s ARG 357 Ca 0.13 -0.88 -0.00 0.00 -0.52 0.00 0.00 55.73 54.46 3h40 s ARG 357 Cb -0.10 -0.05 -0.02 0.00 0.52 0.00 0.00 34.95 35.30 3h40 s ARG 357 CO -0.25 -0.02 -0.02 -1.21 0.02 0.00 0.00 175.30 173.82 3h40 s GLU 358 N -2.31 0.26 -0.21 3.54 2.02 -1.18 -4.97 118.70 115.86 3h40 s GLU 358 Ca -0.06 -0.50 -0.21 0.00 0.02 0.00 0.00 54.97 54.23 3h40 s GLU 358 Cb -0.04 0.09 0.06 0.00 0.10 0.00 0.00 34.13 34.34 3h40 s GLU 358 CO -0.03 -0.04 0.58 -1.54 0.02 0.00 0.00 175.26 174.25 3h40 s SER 359 N -1.22 -0.60 -0.37 -0.19 1.04 -1.25 -1.22 113.70 109.89 3h40 s SER 359 Ca -0.13 1.14 -0.07 0.00 0.48 0.00 0.00 55.95 57.37 3h40 s SER 359 Cb -0.08 1.16 0.06 0.00 0.10 0.00 0.00 66.02 67.25 3h40 s SER 359 CO -0.01 -0.22 0.17 -0.13 0.98 0.00 0.00 173.24 174.03 3h40 s ARG 360 N 0.23 2.57 0.04 4.02 1.81 -0.96 -4.94 118.95 121.72 3h40 s ARG 360 Ca -0.01 -1.33 -0.19 0.00 -1.72 0.00 0.00 55.73 52.48 3h40 s ARG 360 Cb -0.04 -3.59 -0.06 0.00 -0.45 0.00 0.00 34.95 30.81 3h40 s ARG 360 CO 0.01 -0.80 0.57 -1.14 -0.68 0.00 0.00 175.30 173.25 3h40 s GLN 361 N 1.39 4.23 -0.09 3.54 0.74 -1.26 -3.63 119.66 124.58 3h40 s GLN 361 Ca 0.01 0.71 -0.26 0.00 0.05 0.00 0.00 55.36 55.87 3h40 s GLN 361 Cb -0.21 -3.28 0.06 0.00 1.10 0.00 0.00 33.01 30.69 3h40 s GLN 361 CO 0.02 0.54 0.61 0.00 -0.55 0.00 0.00 175.29 175.92 3h40 s PRO 363 N -0.86 2.31 -0.22 0.00 0.02 -1.26 -2.08 135.00 132.91 3h40 s PRO 363 Ca -0.09 1.57 -0.09 0.00 0.02 0.00 0.00 61.00 62.42 3h40 s PRO 363 Cb -0.02 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 3h40 s PRO 363 CO 0.07 -1.66 0.10 0.42 -0.33 0.00 0.00 177.00 175.60 3h40 s ILE 364 N -2.22 4.88 -0.37 2.83 1.01 -1.18 -4.79 121.20 121.35 3h40 s ILE 364 Ca 0.70 0.01 -0.42 0.00 0.00 0.00 0.00 60.65 60.94 3h40 s ILE 364 Cb -0.25 -3.25 -0.17 0.00 0.01 0.00 0.00 42.46 38.80 3h40 s ILE 364 CO 0.45 0.38 1.78 -2.65 0.00 0.00 0.00 174.94 174.90 3h40 n PRO 365 N 4.22 0.71 -0.39 2.79 -0.02 -1.26 -4.82 135.00 136.23 3h40 n PRO 365 Ca -0.16 0.25 0.32 0.00 -2.02 0.00 0.00 63.50 61.90 3h40 n PRO 365 Cb 0.52 -1.91 0.63 0.00 -0.02 0.00 0.00 33.50 32.73 3h40 n PRO 365 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3h40 h SER 366 N 7.16 0.24 -0.11 2.55 4.64 -1.99 0.14 113.55 126.18 3h40 h SER 366 Ca -0.41 0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 60.87 3h40 h SER 366 Cb 1.34 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3h40 h SER 366 CO 0.98 -0.02 -0.38 0.45 -0.87 0.00 0.00 176.83 176.99 3h40 h HIS 367 N 0.18 0.60 0.00 4.77 3.86 -2.02 -3.19 115.15 119.35 3h40 h HIS 367 Ca 0.68 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 3h40 h HIS 367 Cb 2.18 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 30.55 3h40 h HIS 367 CO -0.00 0.99 0.00 -0.39 0.86 0.00 0.00 177.93 179.38 3h40 h VAL 368 N 0.04 0.00 -0.93 2.45 -1.51 -1.12 -2.94 116.25 112.24 3h40 h VAL 368 Ca -0.01 -0.36 0.01 0.00 -1.23 0.00 0.00 66.70 65.11 3h40 h VAL 368 Cb 1.00 1.29 -0.05 0.00 -2.13 0.00 0.00 31.29 31.40 3h40 h VAL 368 CO 0.08 0.00 0.61 0.40 -1.23 0.00 0.00 177.57 177.43 3h40 h ILE 369 N 0.00 1.24 -0.19 7.19 2.04 -1.32 -3.50 117.51 122.98 3h40 h ILE 369 Ca 0.00 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 3h40 h ILE 369 Cb 0.38 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 3h40 h ILE 369 CO 0.00 0.24 0.08 0.00 0.00 0.00 0.00 178.15 178.47 3h40 n GLN 370 N -4.38 1.64 0.00 2.37 6.02 -1.12 -5.03 117.38 116.88 3h40 n GLN 370 Ca 0.11 -0.74 0.00 0.00 -0.01 0.00 0.00 57.00 56.35 3h40 n GLN 370 Cb 0.03 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.79 3h40 n GLN 370 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h40 n VAL 379 N 0.13 0.00 0.08 5.09 0.31 -1.26 -5.16 118.33 117.51 3h40 n VAL 379 Ca 0.10 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.39 3h40 n VAL 379 Cb 0.63 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.53 3h40 n VAL 379 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3h40 h MET 380 N 0.00 -0.25 0.00 5.55 2.86 -2.00 -3.31 114.93 117.79 3h40 h MET 380 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3h40 h MET 380 Cb 0.00 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3h40 h MET 380 CO 0.00 -0.17 0.00 0.25 1.06 0.00 0.00 176.91 178.05 3h40 n THR 381 N -3.04 0.00 0.38 2.22 -2.24 -1.26 0.58 114.28 110.92 3h40 n THR 381 Ca -0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 3h40 n THR 381 Cb 0.12 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.26 3h40 n THR 381 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3h40 h PRO 382 N 0.00 -1.00 -1.01 -0.78 0.11 -2.02 -2.80 132.00 124.50 3h40 h PRO 382 Ca 0.00 0.07 0.26 0.00 0.11 0.00 0.00 66.00 66.43 3h40 h PRO 382 Cb 0.00 0.23 -0.08 0.00 0.11 0.00 0.00 31.00 31.26 3h40 h PRO 382 CO 0.00 -0.67 0.67 1.98 -0.21 0.00 0.00 178.00 179.77 3h40 h MET 383 N -1.04 0.35 0.09 1.05 -1.53 0.01 -0.59 114.93 113.26 3h40 h MET 383 Ca -0.10 -0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.15 3h40 h MET 383 Cb 0.82 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.76 3h40 h MET 383 CO 0.11 0.23 -0.38 0.28 0.14 0.00 0.00 176.91 177.28 3h40 h VAL 384 N 0.36 0.00 0.00 -5.77 2.07 -0.85 0.16 116.25 112.22 3h40 h VAL 384 Ca 0.55 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.07 3h40 h VAL 384 Cb 1.48 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3h40 h VAL 384 CO -0.23 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.69 3h40 n ASP 385 N -4.64 0.30 -0.14 0.57 -0.08 -0.84 -1.09 116.55 110.62 3h40 n ASP 385 Ca -0.06 0.56 -0.11 0.00 -1.51 0.00 0.00 54.79 53.66 3h40 n ASP 385 Cb 0.30 -0.63 0.01 0.00 2.34 0.00 0.00 41.12 43.15 3h40 n ASP 385 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3h40 h ILE 386 N 0.00 1.27 0.00 5.18 1.08 0.51 -2.24 117.51 123.31 3h40 h ILE 386 Ca 0.00 -1.40 -0.15 0.00 -0.39 0.00 0.00 64.86 62.91 3h40 h ILE 386 Cb 0.41 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 3h40 h ILE 386 CO 0.00 0.48 -0.89 -0.07 -0.69 0.00 0.00 178.15 176.98 3h40 h LEU 387 N 0.82 0.00 -1.17 1.44 3.38 -0.09 -3.32 115.31 116.38 3h40 h LEU 387 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3h40 h LEU 387 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3h40 h LEU 387 CO 0.07 0.65 0.34 0.24 0.09 0.00 0.00 178.44 179.83 3h40 h MET 388 N 0.00 0.92 -0.11 1.13 2.86 -0.76 0.22 114.93 119.19 3h40 h MET 388 Ca -0.06 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 3h40 h MET 388 Cb 1.55 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 33.03 3h40 h MET 388 CO 0.07 0.69 -0.16 0.87 1.06 0.00 0.00 176.91 179.44 3h40 h LYS 389 N 0.92 0.31 -0.07 1.72 6.56 -1.52 -2.32 116.57 122.18 3h40 h LYS 389 Ca 0.23 -0.18 0.02 0.00 -1.06 0.00 0.00 60.65 59.66 3h40 h LYS 389 Cb 0.06 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.73 3h40 h LYS 389 CO -0.03 0.76 0.06 -0.07 -2.06 0.00 0.00 179.45 178.11 3h40 h LEU 390 N -0.11 0.00 0.11 2.94 3.38 -1.58 -2.33 115.31 117.72 3h40 h LEU 390 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3h40 h LEU 390 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3h40 h LEU 390 CO 0.04 0.00 -0.05 0.15 0.09 0.00 0.00 178.44 178.67 3h40 h PHE 391 N 0.00 -0.13 -0.98 1.13 -0.00 -0.07 -3.24 116.94 113.65 3h40 h PHE 391 Ca 0.03 -0.00 0.22 0.00 -0.00 0.00 0.00 57.97 58.22 3h40 h PHE 391 Cb 0.16 0.04 -0.09 0.00 -0.00 0.00 0.00 35.95 36.07 3h40 h PHE 391 CO 0.00 -0.08 0.63 0.00 -0.00 0.00 0.00 178.31 178.86 3h40 h ARG 392 N -0.16 0.49 0.00 1.11 3.08 -1.06 0.15 114.38 118.00 3h40 h ARG 392 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3h40 h ARG 392 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h40 h ARG 392 CO 0.02 0.33 0.14 -1.71 -1.07 0.00 0.00 179.97 177.68 3h40 n ASN 393 N -4.63 0.46 0.00 7.04 2.85 -0.91 -5.14 115.26 114.94 3h40 n ASN 393 Ca 0.23 0.67 0.00 0.00 -0.11 0.00 0.00 54.58 55.37 3h40 n ASN 393 Cb 0.73 -0.68 0.00 0.00 1.24 0.00 0.00 39.78 41.06 3h40 n ASN 393 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 3h40 n MET 394 N -2.16 2.32 0.00 1.20 0.00 0.52 -5.12 117.12 113.89 3h40 n MET 394 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 57.70 57.83 3h40 n MET 394 Cb 0.16 0.00 0.67 0.00 0.00 0.00 0.00 33.22 34.05 3h40 n MET 394 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3h40 n THR 404 N 0.00 0.02 -4.38 2.03 -2.24 -0.24 -5.15 114.28 104.32 3h40 n THR 404 Ca 0.00 0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 3h40 n THR 404 Cb 0.00 -0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 67.59 3h40 n THR 404 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h40 s LEU 405 N -2.82 2.37 -0.06 3.22 1.02 -1.26 0.06 118.68 121.21 3h40 s LEU 405 Ca 0.20 -0.79 -0.02 0.00 0.02 0.00 0.00 54.13 53.53 3h40 s LEU 405 Cb 0.19 -1.12 0.04 0.00 0.02 0.00 0.00 46.19 45.32 3h40 s LEU 405 CO 0.49 0.12 0.12 -0.76 0.02 0.00 0.00 176.35 176.35 3h40 s LEU 406 N -2.32 0.41 -0.08 1.79 1.43 -0.59 -2.96 118.68 116.36 3h40 s LEU 406 Ca 0.16 0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 3h40 s LEU 406 Cb -0.09 0.19 0.03 0.00 0.03 0.00 0.00 46.19 46.36 3h40 s LEU 406 CO 0.07 -0.19 0.21 -0.94 0.23 0.00 0.00 176.35 175.73 3h40 s SER 407 N 1.69 -0.21 -0.15 2.29 1.04 -1.12 -2.93 113.70 114.31 3h40 s SER 407 Ca -0.03 0.43 -0.07 0.00 0.48 0.00 0.00 55.95 56.76 3h40 s SER 407 Cb -0.12 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 3h40 s SER 407 CO -0.05 -0.11 0.10 -0.69 0.98 0.00 0.00 173.24 173.47 3h40 s VAL 408 N 0.64 5.13 -0.12 5.02 1.01 -1.10 -1.77 120.40 129.21 3h40 s VAL 408 Ca -0.04 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 3h40 s VAL 408 Cb -0.06 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3h40 s VAL 408 CO -0.04 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.50 3h40 s PHE 410 N 1.61 3.14 0.00 0.00 0.40 0.63 -1.69 117.98 122.06 3h40 s PHE 410 Ca 0.04 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 3h40 s PHE 410 Cb -0.13 -3.09 0.00 0.00 0.51 0.00 0.00 43.02 40.31 3h40 s PHE 410 CO -0.09 -0.79 0.00 0.00 0.70 0.00 0.00 175.22 175.04 3h40 n ASN 412 N -1.02 -4.76 -4.79 0.00 2.85 -1.26 -2.90 115.26 103.38 3h40 n ASN 412 Ca 0.00 -0.90 -0.36 0.00 -0.11 0.00 0.00 54.58 53.21 3h40 n ASN 412 Cb 0.00 -3.98 -0.05 0.00 1.24 0.00 0.00 39.78 36.99 3h40 n ASN 412 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3h40 s LEU 413 N -6.24 4.15 0.00 1.20 2.01 -1.26 -1.65 118.68 116.88 3h40 s LEU 413 Ca 0.37 1.95 0.00 0.00 0.01 0.00 0.00 54.13 56.46 3h40 s LEU 413 Cb -0.11 -4.21 0.00 0.00 0.01 0.00 0.00 46.19 41.89 3h40 s LEU 413 CO 0.82 -0.39 0.00 0.29 1.01 0.00 0.00 176.35 178.08