#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h54 s LYS 2 N 0.00 0.45 -0.34 0.03 2.20 -1.06 -5.04 119.74 115.98 1h54 s LYS 2 Ca 0.00 0.90 -0.02 0.00 -0.36 0.00 0.00 55.97 56.49 1h54 s LYS 2 Cb 0.00 0.04 0.07 0.00 -1.51 0.00 0.00 37.83 36.43 1h54 s LYS 2 CO 0.00 -0.16 0.07 0.50 -0.36 0.00 0.00 175.35 175.40 1h54 s ARG 3 N 1.54 2.21 0.00 4.03 3.52 -1.26 -3.63 118.95 125.36 1h54 s ARG 3 Ca -0.09 -1.50 0.23 0.00 -0.13 0.00 0.00 55.73 54.24 1h54 s ARG 3 Cb -0.08 -3.32 0.51 0.00 -1.56 0.00 0.00 34.95 30.50 1h54 s ARG 3 CO -0.14 -0.80 1.46 0.44 -0.81 0.00 0.00 175.30 175.45 1h54 n ILE 4 N 4.58 0.67 -4.32 4.11 -5.35 -1.26 -4.94 119.36 112.85 1h54 n ILE 4 Ca -0.08 -0.83 -0.24 0.00 -0.27 0.00 0.00 62.75 61.33 1h54 n ILE 4 Cb 0.43 0.81 -0.13 0.00 -1.74 0.00 0.00 39.64 39.01 1h54 n ILE 4 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1h54 s PHE 5 N -1.33 1.83 0.82 4.28 0.40 -1.26 -4.79 117.98 117.93 1h54 s PHE 5 Ca 0.42 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 56.23 1h54 s PHE 5 Cb 0.24 -1.01 0.09 0.00 0.51 0.00 0.00 43.02 42.85 1h54 s PHE 5 CO 0.32 0.21 1.09 -1.21 0.70 0.00 0.00 175.22 176.33 1h54 s GLU 6 N -1.86 1.85 -0.26 0.44 2.02 0.10 -4.95 118.70 116.04 1h54 s GLU 6 Ca 0.07 0.94 -0.14 0.00 0.02 0.00 0.00 54.97 55.86 1h54 s GLU 6 Cb -0.10 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 1h54 s GLU 6 CO 0.04 -1.86 0.31 0.08 0.02 0.00 0.00 175.26 173.85 1h54 s VAL 7 N -2.96 5.23 0.01 2.63 1.01 -1.26 -4.29 120.40 120.77 1h54 s VAL 7 Ca 0.62 0.44 -0.08 0.00 0.00 0.00 0.00 61.98 62.96 1h54 s VAL 7 Cb -0.17 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1h54 s VAL 7 CO 0.56 0.21 0.16 -1.10 0.00 0.00 0.00 175.10 174.93 1h54 s GLN 8 N 1.83 0.53 0.15 2.72 -1.52 -1.25 -5.01 119.66 117.12 1h54 s GLN 8 Ca 0.13 -0.43 -0.16 0.00 -1.95 0.00 0.00 55.36 52.94 1h54 s GLN 8 Cb -0.16 0.22 0.02 0.00 -0.22 0.00 0.00 33.01 32.88 1h54 s GLN 8 CO 0.10 -0.13 1.79 -1.35 -0.25 0.00 0.00 175.29 175.44 1h54 h PRO 9 N 4.09 0.43 -0.02 2.91 0.11 -1.95 -3.34 132.00 134.24 1h54 h PRO 9 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1h54 h PRO 9 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1h54 h PRO 9 CO 0.42 0.28 0.00 0.91 -0.21 0.00 0.00 178.00 179.40 1h54 n TRP 10 N -4.88 0.01 -4.19 0.65 7.02 -1.26 -4.31 117.44 110.49 1h54 n TRP 10 Ca 0.01 -0.05 -0.17 0.00 -1.02 0.00 0.00 57.50 56.27 1h54 n TRP 10 Cb 0.06 -0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 28.82 1h54 n TRP 10 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1h54 s ASN 11 N -0.38 1.24 -0.53 -0.99 0.01 -1.25 -1.62 114.94 111.42 1h54 s ASN 11 Ca 0.05 -0.47 -0.03 0.00 -0.71 0.00 0.00 52.86 51.70 1h54 s ASN 11 Cb 0.03 -0.04 0.14 0.00 0.41 0.00 0.00 41.25 41.79 1h54 s ASN 11 CO 0.05 -0.07 0.33 -0.69 -1.51 0.00 0.00 177.10 175.21 1h54 s VAL 12 N -1.03 3.53 0.11 1.60 1.01 -0.63 -3.83 120.40 121.16 1h54 s VAL 12 Ca -0.03 -2.55 0.07 0.00 0.00 0.00 0.00 61.98 59.47 1h54 s VAL 12 Cb -0.08 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1h54 s VAL 12 CO 0.01 -0.79 -0.18 -0.51 0.00 0.00 0.00 175.10 173.62 1h54 s ILE 13 N 0.49 1.58 0.05 2.22 2.07 -1.26 -1.23 121.20 125.12 1h54 s ILE 13 Ca 0.13 -1.60 -0.10 0.00 -1.41 0.00 0.00 60.65 57.67 1h54 s ILE 13 Cb -0.22 -1.53 0.00 0.00 0.13 0.00 0.00 42.46 40.85 1h54 s ILE 13 CO -0.04 -0.19 0.21 0.28 -1.91 0.00 0.00 174.94 173.29 1h54 s THR 14 N -1.49 0.11 -0.10 4.00 -1.32 -0.09 0.03 115.64 116.79 1h54 s THR 14 Ca 0.07 -0.92 0.14 0.00 -1.21 0.00 0.00 61.69 59.78 1h54 s THR 14 Cb -0.08 -0.99 0.22 0.00 -1.51 0.00 0.00 72.50 70.13 1h54 s THR 14 CO 0.04 -0.51 1.11 1.41 -2.21 0.00 0.00 174.62 174.47 1h54 n HIS 15 N 0.54 0.00 -5.05 9.09 8.25 -1.26 -1.25 115.22 125.54 1h54 n HIS 15 Ca -0.18 -0.87 -0.32 0.00 -0.26 0.00 0.00 57.72 56.08 1h54 n HIS 15 Cb 0.60 -0.13 -0.16 0.00 1.12 0.00 0.00 29.99 31.42 1h54 n HIS 15 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1h54 s THR 16 N -2.41 2.43 -0.15 1.59 2.01 -1.26 -4.45 115.64 113.39 1h54 s THR 16 Ca 0.24 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.37 1h54 s THR 16 Cb 0.21 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1h54 s THR 16 CO 0.02 0.55 -0.18 0.12 -0.69 0.00 0.00 174.62 174.44 1h54 s PHE 17 N 0.35 2.42 -0.11 4.92 5.36 -1.26 -4.98 117.98 124.69 1h54 s PHE 17 Ca -0.16 -1.33 -0.02 0.00 -0.96 0.00 0.00 56.93 54.47 1h54 s PHE 17 Cb -0.17 -1.71 0.04 0.00 -0.34 0.00 0.00 43.02 40.83 1h54 s PHE 17 CO 0.08 -0.67 0.01 0.34 -1.46 0.00 0.00 175.22 173.52 1h54 s ASP 18 N 1.20 1.96 0.43 6.13 -1.08 -1.26 -5.02 116.67 119.03 1h54 s ASP 18 Ca 0.01 -0.29 0.22 0.00 -0.52 0.00 0.00 52.55 51.96 1h54 s ASP 18 Cb -0.14 -0.47 1.19 0.00 -1.46 0.00 0.00 42.92 42.04 1h54 s ASP 18 CO -0.08 -0.23 1.78 -0.65 0.52 0.00 0.00 175.17 176.51 1h54 h PRO 19 N 8.31 0.30 0.00 4.34 0.11 -1.98 0.59 132.00 143.67 1h54 h PRO 19 Ca -0.19 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 1h54 h PRO 19 Cb 1.12 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1h54 h PRO 19 CO 0.28 0.20 -0.04 0.87 -0.21 0.00 0.00 178.00 179.10 1h54 h LYS 20 N 0.31 0.00 -0.24 1.05 6.56 -1.95 -2.63 116.57 119.67 1h54 h LYS 20 Ca 0.58 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 60.13 1h54 h LYS 20 Cb 1.64 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 33.27 1h54 h LYS 20 CO -0.24 0.04 -0.02 -0.25 -2.06 0.00 0.00 179.45 176.92 1h54 n ASP 21 N -3.71 3.27 0.16 0.86 8.00 0.19 -4.78 116.55 120.54 1h54 n ASP 21 Ca -0.03 -3.23 -0.14 0.00 0.71 0.00 0.00 54.79 52.10 1h54 n ASP 21 Cb 0.14 -0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 40.62 1h54 n ASP 21 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1h54 h LYS 22 N 1.30 -0.62 -0.98 -1.24 1.63 -1.42 0.38 116.57 115.62 1h54 h LYS 22 Ca 0.06 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.95 1h54 h LYS 22 Cb 1.43 0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 33.13 1h54 h LYS 22 CO 0.23 -0.41 0.63 0.00 -3.45 0.00 0.00 179.45 176.44 1h54 h ARG 23 N -0.65 1.15 -0.37 1.90 3.08 -1.85 0.21 114.38 117.86 1h54 h ARG 23 Ca 0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1h54 h ARG 23 Cb 0.63 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1h54 h ARG 23 CO -0.15 0.76 0.13 1.25 -1.07 0.00 0.00 179.97 180.88 1h54 h LEU 24 N 1.18 0.52 -0.61 3.04 5.85 -1.74 -1.64 115.31 121.92 1h54 h LEU 24 Ca 0.41 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1h54 h LEU 24 Cb 0.09 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1h54 h LEU 24 CO -0.15 0.57 0.31 -0.61 -0.34 0.00 0.00 178.44 178.22 1h54 h GLN 25 N 0.44 0.86 -0.76 1.25 4.15 -0.14 -2.41 115.11 118.52 1h54 h GLN 25 Ca 0.12 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1h54 h GLN 25 Cb 0.23 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1h54 h GLN 25 CO -0.01 0.68 0.33 0.93 -1.93 0.00 0.00 178.83 178.83 1h54 h GLU 26 N 0.83 1.10 -0.11 1.69 5.08 -0.42 -2.59 114.58 120.16 1h54 h GLU 26 Ca 0.21 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1h54 h GLU 26 Cb 0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1h54 h GLU 26 CO -0.03 0.88 0.06 0.77 -1.00 0.00 0.00 179.01 179.69 1h54 h SER 27 N 1.09 0.14 0.11 1.42 0.02 -0.93 0.79 113.55 116.19 1h54 h SER 27 Ca 0.26 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1h54 h SER 27 Cb 0.16 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1h54 h SER 27 CO -0.03 0.19 -0.11 -0.03 -1.14 0.00 0.00 176.83 175.71 1h54 h MET 28 N 0.09 0.00 -0.95 3.45 4.05 -1.28 -2.84 114.93 117.45 1h54 h MET 28 Ca 0.04 0.00 -0.49 0.00 -0.28 0.00 0.00 59.70 58.97 1h54 h MET 28 Cb 0.08 0.00 -0.29 0.00 -0.80 0.00 0.00 31.60 30.59 1h54 h MET 28 CO -0.01 0.11 0.60 0.25 0.23 0.00 0.00 176.91 178.10 1h54 n THR 29 N -4.40 3.16 -1.76 -0.77 -2.24 -0.99 -4.98 114.28 102.30 1h54 n THR 29 Ca -0.03 -1.98 -0.32 0.00 -2.27 0.00 0.00 64.05 59.46 1h54 n THR 29 Cb 0.19 -0.46 0.03 0.00 -2.10 0.00 0.00 70.33 67.99 1h54 n THR 29 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1h54 s SER 30 N -1.39 5.56 0.13 3.42 0.01 -1.07 -3.46 113.70 116.90 1h54 s SER 30 Ca 0.56 1.68 -0.00 0.00 1.31 0.00 0.00 55.95 59.50 1h54 s SER 30 Cb 0.47 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1h54 s SER 30 CO 0.10 -1.32 0.02 -0.76 0.41 0.00 0.00 173.24 171.70 1h54 s LEU 31 N -5.15 1.99 -0.18 2.44 1.43 -0.42 -4.92 118.68 113.87 1h54 s LEU 31 Ca 0.60 -1.17 -0.34 0.00 -1.03 0.00 0.00 54.13 52.19 1h54 s LEU 31 Cb -0.14 0.16 0.14 0.00 0.03 0.00 0.00 46.19 46.38 1h54 s LEU 31 CO 0.48 -0.65 1.18 -0.83 0.23 0.00 0.00 176.35 176.76 1h54 s GLY 32 N -3.07 -0.27 -0.06 -3.19 0.00 -1.26 -1.19 107.32 98.27 1h54 s GLY 32 Ca 0.22 1.69 0.17 0.00 0.00 0.00 0.00 44.72 46.79 1h54 s GLY 32 CO 0.01 0.60 1.14 1.16 0.00 0.00 0.00 173.10 176.01 1h54 n ASN 33 N 0.00 1.08 0.00 1.64 2.04 -0.37 -4.52 115.26 115.13 1h54 n ASN 33 Ca -0.01 -2.53 0.00 0.00 -0.44 0.00 0.00 54.58 51.60 1h54 n ASN 33 Cb 0.58 -0.34 0.00 0.00 -2.53 0.00 0.00 39.78 37.49 1h54 n ASN 33 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1h54 n GLY 34 N -0.15 1.12 0.17 4.83 0.00 0.36 -4.57 105.19 106.95 1h54 n GLY 34 Ca 0.09 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1h54 n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1h54 h TYR 35 N 0.00 0.57 -2.82 1.61 3.20 -1.86 -3.43 116.97 114.24 1h54 h TYR 35 Ca 0.00 -0.28 0.09 0.00 3.14 0.00 0.00 58.73 61.69 1h54 h TYR 35 Cb 0.00 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 1h54 h TYR 35 CO 0.00 1.06 0.30 0.00 -1.64 0.00 0.00 178.16 177.88 1h54 s MET 36 N -3.46 1.61 0.26 1.82 0.23 -1.26 -1.35 119.30 117.14 1h54 s MET 36 Ca -0.06 -0.88 -0.21 0.00 -1.03 0.00 0.00 55.69 53.51 1h54 s MET 36 Cb 0.10 0.56 0.04 0.00 -1.53 0.00 0.00 34.83 33.99 1h54 s MET 36 CO 0.85 -0.74 0.80 0.20 -2.03 0.00 0.00 175.02 174.10 1h54 s GLY 37 N -2.91 -0.05 -0.02 3.16 0.00 -0.35 -1.23 107.32 105.91 1h54 s GLY 37 Ca 0.11 -0.27 -0.28 0.00 0.00 0.00 0.00 44.72 44.27 1h54 s GLY 37 CO 0.05 0.00 0.80 -3.16 0.00 0.00 0.00 173.10 170.79 1h54 s MET 38 N -3.49 0.92 0.86 2.90 0.23 -0.33 -0.25 119.30 120.14 1h54 s MET 38 Ca 0.12 -0.10 -0.11 0.00 -1.03 0.00 0.00 55.69 54.57 1h54 s MET 38 Cb -0.05 0.43 0.11 0.00 -1.53 0.00 0.00 34.83 33.79 1h54 s MET 38 CO 0.06 -0.36 1.09 1.03 -2.03 0.00 0.00 175.02 174.82 1h54 s ARG 39 N -2.34 1.56 -0.04 3.16 0.52 -0.38 -1.30 118.95 120.14 1h54 s ARG 39 Ca -0.01 0.79 -0.05 0.00 -0.52 0.00 0.00 55.73 55.94 1h54 s ARG 39 Cb -0.01 -1.85 -0.20 0.00 0.52 0.00 0.00 34.95 33.41 1h54 s ARG 39 CO -0.03 -2.02 2.89 0.41 0.02 0.00 0.00 175.30 176.57 1h54 n GLY 40 N -1.42 2.57 3.77 -3.53 0.00 0.26 -4.78 105.19 102.05 1h54 n GLY 40 Ca 0.07 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1h54 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h54 s ASP 41 N 2.25 6.30 -0.29 1.61 1.01 -1.26 -4.65 116.67 121.63 1h54 s ASP 41 Ca 0.51 2.33 -0.29 0.00 0.71 0.00 0.00 52.55 55.82 1h54 s ASP 41 Cb 0.24 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.58 1h54 s ASP 41 CO -0.00 -0.83 1.10 -0.36 0.21 0.00 0.00 175.17 175.29 1h54 s PHE 42 N -1.49 3.13 0.55 4.23 2.99 -1.26 -4.93 117.98 121.21 1h54 s PHE 42 Ca 0.61 1.21 0.22 0.00 0.00 0.00 0.00 56.93 58.97 1h54 s PHE 42 Cb -0.30 -3.63 1.49 0.00 0.00 0.00 0.00 43.02 40.59 1h54 s PHE 42 CO 0.37 -0.83 2.17 1.05 -0.00 0.00 0.00 175.22 177.98 1h54 h GLU 43 N 8.07 0.00 0.00 0.44 9.09 -1.92 -2.09 114.58 128.17 1h54 h GLU 43 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 1h54 h GLU 43 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 1h54 h GLU 43 CO 1.02 0.00 0.00 -0.85 0.05 0.00 0.00 179.01 179.23 1h54 n GLU 44 N -4.25 0.52 0.00 1.06 0.00 -1.25 -0.51 120.64 116.21 1h54 n GLU 44 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1h54 n GLU 44 Cb 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.08 1h54 n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1h54 n GLY 45 N 0.80 2.12 3.53 -1.84 0.00 -0.79 -4.26 105.19 104.75 1h54 n GLY 45 Ca 0.15 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 1h54 n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1h54 s TYR 46 N -2.75 -0.77 -2.60 1.61 5.04 -1.26 -4.61 117.35 112.00 1h54 s TYR 46 Ca 0.00 1.40 0.26 0.00 -2.44 0.00 0.00 57.07 56.29 1h54 s TYR 46 Cb 0.00 0.46 0.74 0.00 0.35 0.00 0.00 41.96 43.51 1h54 s TYR 46 CO 0.00 -0.38 1.57 -1.13 -1.34 0.00 0.00 175.55 174.27 1h54 n SER 47 N 4.58 2.05 -2.78 4.32 3.41 -1.26 -4.95 113.62 118.99 1h54 n SER 47 Ca -0.13 -1.70 -0.07 0.00 -0.26 0.00 0.00 58.87 56.71 1h54 n SER 47 Cb 0.54 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.50 1h54 n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h54 n GLY 48 N 1.24 0.71 3.69 5.00 0.00 -1.26 -4.99 105.19 109.58 1h54 n GLY 48 Ca 0.17 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1h54 n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h54 n ASP 49 N -2.97 3.88 -3.53 1.61 2.03 -1.26 -4.94 116.55 111.36 1h54 n ASP 49 Ca 0.05 1.00 -0.10 0.00 0.52 0.00 0.00 54.79 56.26 1h54 n ASP 49 Cb 0.18 -1.52 -0.04 0.00 -0.72 0.00 0.00 41.12 39.03 1h54 n ASP 49 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1h54 s SER 50 N 2.47 -0.40 -0.29 1.67 0.15 -1.26 -4.51 113.70 111.53 1h54 s SER 50 Ca 0.82 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 57.67 1h54 s SER 50 Cb -0.52 0.37 0.05 0.00 -1.71 0.00 0.00 66.02 64.21 1h54 s SER 50 CO 0.38 -0.52 -0.02 -0.22 1.20 0.00 0.00 173.24 174.05 1h54 s LEU 51 N -1.86 3.78 -0.23 3.45 1.98 -1.26 -5.05 118.68 119.49 1h54 s LEU 51 Ca 0.01 -1.28 -0.29 0.00 -2.89 0.00 0.00 54.13 49.68 1h54 s LEU 51 Cb -0.01 -1.68 0.01 0.00 0.66 0.00 0.00 46.19 45.17 1h54 s LEU 51 CO -0.03 -0.24 1.07 -1.58 -1.89 0.00 0.00 176.35 173.67 1h54 s GLN 52 N 1.23 4.24 -0.21 1.98 2.00 -1.26 -4.86 119.66 122.78 1h54 s GLN 52 Ca -0.06 1.36 -0.05 0.00 -2.00 0.00 0.00 55.36 54.62 1h54 s GLN 52 Cb -0.20 -3.66 0.11 0.00 0.80 0.00 0.00 33.01 30.05 1h54 s GLN 52 CO -0.02 -0.67 0.36 0.20 -0.50 0.00 0.00 175.29 174.66 1h54 s GLY 53 N 1.34 -0.31 -0.07 2.59 0.00 -1.26 -4.95 107.32 104.66 1h54 s GLY 53 Ca 0.45 1.06 0.02 0.00 0.00 0.00 0.00 44.72 46.25 1h54 s GLY 53 CO 0.08 2.43 -0.10 -0.42 0.00 0.00 0.00 173.10 175.08 1h54 s ILE 54 N 2.53 1.00 -0.02 0.90 1.01 -1.26 -1.24 121.20 124.11 1h54 s ILE 54 Ca 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1h54 s ILE 54 Cb -0.14 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1h54 s ILE 54 CO -0.13 0.33 -0.12 -0.31 0.00 0.00 0.00 174.94 174.70 1h54 s TYR 55 N 0.83 1.18 -0.25 3.97 1.51 0.65 -0.18 117.35 125.07 1h54 s TYR 55 Ca -0.12 -0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 55.59 1h54 s TYR 55 Cb -0.15 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 1h54 s TYR 55 CO 0.02 -0.06 0.12 -0.51 -1.11 0.00 0.00 175.55 174.01 1h54 s LEU 56 N -0.13 3.80 0.10 -1.29 1.43 -1.26 -1.21 118.68 120.13 1h54 s LEU 56 Ca 0.02 -0.04 -0.35 0.00 -1.03 0.00 0.00 54.13 52.73 1h54 s LEU 56 Cb -0.07 -2.02 -0.14 0.00 0.03 0.00 0.00 46.19 43.98 1h54 s LEU 56 CO 0.00 0.01 1.55 0.61 0.23 0.00 0.00 176.35 178.76 1h54 n GLY 57 N 4.62 0.98 3.04 -3.19 0.00 -0.46 -1.56 105.19 108.62 1h54 n GLY 57 Ca -0.15 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1h54 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h54 n GLY 58 N 3.31 1.61 3.36 -0.02 0.00 -1.26 -4.98 105.19 107.20 1h54 n GLY 58 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 1h54 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h54 s VAL 59 N -3.59 5.04 0.35 1.61 1.01 -0.60 -5.04 120.40 119.18 1h54 s VAL 59 Ca 0.00 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 60.88 1h54 s VAL 59 Cb 0.00 -4.35 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 1h54 s VAL 59 CO 0.00 -0.90 0.05 -1.66 0.00 0.00 0.00 175.10 172.59 1h54 s TRP 60 N 2.10 2.04 -0.00 5.22 1.48 -1.26 -1.87 118.94 126.64 1h54 s TRP 60 Ca 0.07 -0.94 0.05 0.00 -1.06 0.00 0.00 56.10 54.23 1h54 s TRP 60 Cb -0.26 -1.37 -0.01 0.00 -1.16 0.00 0.00 33.47 30.67 1h54 s TRP 60 CO 0.06 0.07 -0.16 -0.47 -4.06 0.00 0.00 176.95 172.39 1h54 s TYR 61 N -3.18 1.40 -1.18 1.66 5.04 -0.31 -4.78 117.35 116.00 1h54 s TYR 61 Ca 0.34 -0.28 -0.15 0.00 -2.44 0.00 0.00 57.07 54.54 1h54 s TYR 61 Cb 0.08 -0.89 0.15 0.00 0.35 0.00 0.00 41.96 41.65 1h54 s TYR 61 CO 0.15 -0.01 1.43 -1.25 -1.34 0.00 0.00 175.55 174.54 1h54 s PRO 62 N -0.48 4.02 -0.03 4.97 0.04 -1.26 -2.04 135.00 140.22 1h54 s PRO 62 Ca 0.06 -2.41 -0.30 0.00 0.04 0.00 0.00 61.00 58.39 1h54 s PRO 62 Cb -0.06 -5.10 -0.06 0.00 0.04 0.00 0.00 34.50 29.31 1h54 s PRO 62 CO -0.00 -1.83 1.68 0.34 0.04 0.00 0.00 177.00 177.23 1h54 s ASP 63 N 3.09 6.65 0.12 6.66 2.15 -1.09 -4.75 116.67 129.50 1h54 s ASP 63 Ca 0.43 2.30 -0.35 0.00 0.43 0.00 0.00 52.55 55.36 1h54 s ASP 63 Cb -0.02 -2.54 -0.15 0.00 -0.30 0.00 0.00 42.92 39.91 1h54 s ASP 63 CO -0.00 -0.93 1.50 1.17 -0.17 0.00 0.00 175.17 176.74 1h54 n LYS 64 N 6.95 1.77 -1.59 4.34 4.81 -1.26 -0.05 118.16 133.13 1h54 n LYS 64 Ca 0.17 0.64 -0.46 0.00 -0.87 0.00 0.00 58.31 57.79 1h54 n LYS 64 Cb 0.42 -2.36 -0.02 0.00 0.02 0.00 0.00 35.03 33.09 1h54 n LYS 64 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1h54 n THR 65 N 3.14 1.58 -3.99 3.15 -1.04 -0.47 -4.76 114.28 111.89 1h54 n THR 65 Ca 0.18 -0.39 -0.28 0.00 -2.04 0.00 0.00 64.05 61.51 1h54 n THR 65 Cb 0.25 -0.98 -0.17 0.00 -1.82 0.00 0.00 70.33 67.61 1h54 n THR 65 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1h54 s ARG 66 N -1.10 1.84 0.15 -2.82 3.52 -1.26 -5.01 118.95 114.27 1h54 s ARG 66 Ca 0.64 -0.38 -0.06 0.00 -0.13 0.00 0.00 55.73 55.79 1h54 s ARG 66 Cb -0.74 -1.78 -0.02 0.00 -1.56 0.00 0.00 34.95 30.84 1h54 s ARG 66 CO 0.57 -0.24 0.20 0.14 -0.81 0.00 0.00 175.30 175.16 1h54 s VAL 67 N 1.56 0.08 -0.09 7.11 -7.23 -1.26 -5.00 120.40 115.58 1h54 s VAL 67 Ca 0.04 -1.56 -0.22 0.00 -1.81 0.00 0.00 61.98 58.42 1h54 s VAL 67 Cb -0.13 -1.88 -0.18 0.00 0.56 0.00 0.00 36.38 34.74 1h54 s VAL 67 CO -0.08 -0.38 0.79 1.23 -0.31 0.00 0.00 175.10 176.35 1h54 h GLY 68 N 2.67 -0.08 -5.28 2.32 0.00 -2.00 -3.45 103.07 97.25 1h54 h GLY 68 Ca -0.33 0.03 -0.46 0.00 0.00 0.00 0.00 47.33 46.57 1h54 h GLY 68 CO 0.53 -0.03 -0.80 -0.98 0.00 0.00 0.00 176.54 175.26 1h54 s TRP 69 N -2.88 1.13 0.37 5.60 0.52 -1.26 -5.14 118.94 117.28 1h54 s TRP 69 Ca -0.14 -0.25 -0.21 0.00 0.02 0.00 0.00 56.10 55.52 1h54 s TRP 69 Cb -0.01 -0.76 -0.10 0.00 -1.15 0.00 0.00 33.47 31.45 1h54 s TRP 69 CO 0.53 -0.07 0.89 -0.46 0.02 0.00 0.00 176.95 177.86 1h54 s TRP 70 N -0.08 3.43 -0.01 -1.98 -0.11 -1.26 -5.08 118.94 113.85 1h54 s TRP 70 Ca 0.01 1.55 0.03 0.00 1.22 0.00 0.00 56.10 58.91 1h54 s TRP 70 Cb -0.07 -2.78 -0.01 0.00 -1.50 0.00 0.00 33.47 29.11 1h54 s TRP 70 CO 0.00 0.04 -0.11 0.15 -4.62 0.00 0.00 176.95 172.41 1h54 s LYS 71 N -2.80 0.89 0.20 5.86 -0.14 -1.26 -5.11 119.74 117.38 1h54 s LYS 71 Ca 0.56 -0.39 -0.32 0.00 -1.36 0.00 0.00 55.97 54.47 1h54 s LYS 71 Cb -0.12 -0.86 -0.12 0.00 -1.68 0.00 0.00 37.83 35.05 1h54 s LYS 71 CO 0.17 0.23 1.72 0.09 -0.76 0.00 0.00 175.35 176.80 1h54 n ASN 72 N 2.83 3.96 0.00 2.83 5.03 -1.26 -2.25 115.26 126.40 1h54 n ASN 72 Ca -0.14 1.06 0.00 0.00 0.87 0.00 0.00 54.58 56.37 1h54 n ASN 72 Cb 0.56 -1.57 0.00 0.00 -1.02 0.00 0.00 39.78 37.75 1h54 n ASN 72 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1h54 n GLY 73 N 3.95 2.90 3.66 7.41 0.00 -1.26 -4.93 105.19 116.92 1h54 n GLY 73 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1h54 n GLY 73 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h54 n TYR 74 N -1.20 1.62 -1.32 1.61 4.01 -0.96 -4.89 117.16 116.03 1h54 n TYR 74 Ca 0.00 0.50 -0.31 0.00 -0.16 0.00 0.00 57.90 57.93 1h54 n TYR 74 Cb 0.00 -2.29 0.08 0.00 -0.31 0.00 0.00 39.34 36.83 1h54 n TYR 74 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1h54 s PRO 75 N -2.29 2.39 0.38 -0.72 0.04 -1.26 -4.97 135.00 128.56 1h54 s PRO 75 Ca 0.65 1.12 0.22 0.00 0.04 0.00 0.00 61.00 63.02 1h54 s PRO 75 Cb -0.50 -1.92 0.25 0.00 0.04 0.00 0.00 34.50 32.37 1h54 s PRO 75 CO 0.55 -1.54 1.50 0.87 0.04 0.00 0.00 177.00 178.42 1h54 h LYS 76 N -1.05 0.00 -3.43 4.56 1.57 -1.93 -3.44 116.57 112.86 1h54 h LYS 76 Ca -0.44 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.26 1h54 h LYS 76 Cb 1.23 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.38 1h54 h LYS 76 CO 0.53 0.07 -0.25 1.52 -0.57 0.00 0.00 179.45 180.75 1h54 s TYR 77 N -3.19 -0.06 -0.40 -1.35 -0.85 -1.26 -1.36 117.35 108.87 1h54 s TYR 77 Ca 0.05 -0.16 -0.05 0.00 -0.52 0.00 0.00 57.07 56.39 1h54 s TYR 77 Cb 0.06 0.09 0.10 0.00 0.38 0.00 0.00 41.96 42.58 1h54 s TYR 77 CO 0.70 -0.54 0.21 0.12 -1.52 0.00 0.00 175.55 174.51 1h54 s PHE 78 N -3.02 3.47 0.25 -3.49 2.19 0.93 -4.38 117.98 113.93 1h54 s PHE 78 Ca -0.02 -2.07 -0.30 0.00 0.33 0.00 0.00 56.93 54.88 1h54 s PHE 78 Cb 0.01 -3.04 -0.09 0.00 -1.31 0.00 0.00 43.02 38.58 1h54 s PHE 78 CO -0.06 -0.92 1.31 0.20 1.83 0.00 0.00 175.22 177.58 1h54 s GLY 79 N 1.92 2.64 -0.15 13.12 0.00 -1.26 -2.68 107.32 120.91 1h54 s GLY 79 Ca 0.05 1.17 -0.12 0.00 0.00 0.00 0.00 44.72 45.82 1h54 s GLY 79 CO -0.02 2.01 0.39 -1.59 0.00 0.00 0.00 173.10 173.89 1h54 s LYS 80 N -0.76 0.43 0.33 2.90 -2.85 -0.86 -4.76 119.74 114.17 1h54 s LYS 80 Ca 0.54 0.58 -0.29 0.00 -1.00 0.00 0.00 55.97 55.79 1h54 s LYS 80 Cb -0.38 0.17 -0.11 0.00 -2.06 0.00 0.00 37.83 35.45 1h54 s LYS 80 CO 0.44 -0.07 1.55 0.28 0.10 0.00 0.00 175.35 177.64 1h54 n VAL 81 N 3.14 1.44 -2.87 1.79 0.31 0.04 -1.16 118.33 121.02 1h54 n VAL 81 Ca -0.15 -0.36 -0.41 0.00 -0.01 0.00 0.00 64.34 63.41 1h54 n VAL 81 Cb 0.57 -1.96 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 1h54 n VAL 81 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1h54 s VAL 82 N -0.48 4.75 -0.17 2.52 1.01 -0.78 -4.86 120.40 122.39 1h54 s VAL 82 Ca 0.59 1.80 -0.29 0.00 0.00 0.00 0.00 61.98 64.09 1h54 s VAL 82 Cb -0.49 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 1h54 s VAL 82 CO 0.55 0.29 1.66 0.21 0.00 0.00 0.00 175.10 177.81 1h54 s ASN 83 N 0.30 6.42 0.82 3.32 2.47 -1.26 -4.41 114.94 122.61 1h54 s ASN 83 Ca 0.43 1.82 -0.12 0.00 0.42 0.00 0.00 52.86 55.42 1h54 s ASN 83 Cb -0.21 -2.53 0.08 0.00 -1.45 0.00 0.00 41.25 37.14 1h54 s ASN 83 CO 0.25 -1.19 1.11 0.00 -3.72 0.00 0.00 177.10 173.55 1h54 s ALA 84 N 5.00 2.18 0.19 1.71 0.00 0.75 -4.70 121.76 126.89 1h54 s ALA 84 Ca 0.73 -0.30 -0.33 0.00 0.00 0.00 0.00 51.96 52.07 1h54 s ALA 84 Cb -0.28 -3.08 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 1h54 s ALA 84 CO 0.30 -1.83 1.46 0.28 0.00 0.00 0.00 175.76 175.97 1h54 n VAL 85 N -3.49 0.48 -2.20 0.00 0.31 -1.26 -4.76 118.33 107.42 1h54 n VAL 85 Ca 0.07 -0.12 -0.38 0.00 -0.01 0.00 0.00 64.34 63.90 1h54 n VAL 85 Cb 0.57 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 1h54 n VAL 85 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1h54 s ASN 86 N 0.55 5.55 0.00 4.52 2.47 0.03 -4.83 114.94 123.23 1h54 s ASN 86 Ca 0.74 -0.07 0.25 0.00 0.42 0.00 0.00 52.86 54.19 1h54 s ASN 86 Cb -0.69 -2.54 0.40 0.00 -1.45 0.00 0.00 41.25 36.96 1h54 s ASN 86 CO 0.45 -2.24 1.36 2.22 -3.72 0.00 0.00 177.10 175.17 1h54 n PHE 87 N 11.83 0.00 0.67 0.43 1.16 -1.26 -1.03 117.46 129.25 1h54 n PHE 87 Ca 0.19 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.88 1h54 n PHE 87 Cb 0.51 -0.02 0.07 0.00 -1.61 0.00 0.00 39.48 38.43 1h54 n PHE 87 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 1h54 n ILE 88 N 0.49 0.16 -1.52 1.97 -5.35 -1.26 -4.81 119.36 109.04 1h54 n ILE 88 Ca 0.14 -0.19 -0.60 0.00 -0.27 0.00 0.00 62.75 61.83 1h54 n ILE 88 Cb 0.48 0.22 -0.08 0.00 -1.74 0.00 0.00 39.64 38.52 1h54 n ILE 88 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1h54 n LYS 89 N -1.88 0.00 -2.74 6.28 4.81 -1.25 -4.76 118.16 118.61 1h54 n LYS 89 Ca 0.03 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.39 1h54 n LYS 89 Cb 0.41 -1.49 0.05 0.00 0.02 0.00 0.00 35.03 34.02 1h54 n LYS 89 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1h54 n LEU 90 N 1.75 -2.80 -4.75 3.14 0.00 0.33 -1.84 117.00 112.83 1h54 n LEU 90 Ca 0.21 -3.17 -0.38 0.00 0.00 0.00 0.00 56.01 52.66 1h54 n LEU 90 Cb 0.06 0.81 0.04 0.00 0.00 0.00 0.00 43.42 44.34 1h54 n LEU 90 CO 0.64 1.96 0.99 -2.16 0.00 0.00 0.00 177.39 178.82 1h54 s PRO 91 N 0.66 3.08 -0.12 1.96 0.04 -1.26 -3.75 135.00 135.61 1h54 s PRO 91 Ca 0.31 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.62 1h54 s PRO 91 Cb 0.22 -2.23 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1h54 s PRO 91 CO -0.23 -1.24 -0.15 0.42 0.04 0.00 0.00 177.00 175.85 1h54 s ILE 92 N -1.30 1.51 -0.10 0.56 1.01 -1.26 -1.66 121.20 119.95 1h54 s ILE 92 Ca 0.72 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.75 1h54 s ILE 92 Cb -0.41 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1h54 s ILE 92 CO 0.48 0.44 -0.08 -1.61 0.00 0.00 0.00 174.94 174.17 1h54 s GLU 93 N 1.19 3.13 -0.23 2.79 2.02 0.17 0.48 118.70 128.24 1h54 s GLU 93 Ca -0.02 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 1h54 s GLU 93 Cb -0.14 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.43 1h54 s GLU 93 CO -0.05 0.43 -0.06 0.42 0.02 0.00 0.00 175.26 176.02 1h54 s ILE 94 N -0.19 3.10 -1.49 -1.63 1.01 -0.16 -0.78 121.20 121.05 1h54 s ILE 94 Ca 0.02 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 1h54 s ILE 94 Cb -0.13 -2.46 0.06 0.00 0.01 0.00 0.00 42.46 39.95 1h54 s ILE 94 CO 0.03 0.35 0.77 0.59 0.00 0.00 0.00 174.94 176.69 1h54 n ASN 95 N 4.74 -2.84 0.00 3.58 3.02 0.17 -1.24 115.26 122.68 1h54 n ASN 95 Ca -0.18 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1h54 n ASN 95 Cb 0.49 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 1h54 n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h54 n GLY 96 N -1.67 2.90 3.51 7.41 0.00 -1.26 -5.00 105.19 111.07 1h54 n GLY 96 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1h54 n GLY 96 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h54 s GLU 97 N -0.06 3.64 0.51 1.61 2.56 -0.38 -4.96 118.70 121.63 1h54 s GLU 97 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 54.97 54.22 1h54 s GLU 97 Cb 0.00 -3.59 -0.06 0.00 2.00 0.00 0.00 34.13 32.48 1h54 s GLU 97 CO 0.00 -0.29 1.36 -1.25 -0.56 0.00 0.00 175.26 174.51 1h54 s PRO 98 N 1.68 3.36 0.14 4.30 0.04 -1.26 -0.99 135.00 142.27 1h54 s PRO 98 Ca 0.06 2.24 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 1h54 s PRO 98 Cb -0.16 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.92 1h54 s PRO 98 CO 0.08 -1.02 1.06 0.08 0.04 0.00 0.00 177.00 177.24 1h54 s VAL 99 N -1.30 4.11 -0.29 -0.36 1.01 0.18 -4.88 120.40 118.87 1h54 s VAL 99 Ca 0.68 1.76 0.02 0.00 0.00 0.00 0.00 61.98 64.44 1h54 s VAL 99 Cb -0.40 -4.13 0.16 0.00 0.00 0.00 0.00 36.38 32.02 1h54 s VAL 99 CO 0.49 0.28 0.43 -0.62 0.00 0.00 0.00 175.10 175.67 1h54 s ASP 100 N 0.05 0.15 0.00 3.32 3.68 -1.26 -4.72 116.67 117.88 1h54 s ASP 100 Ca 0.49 -0.29 0.01 0.00 2.13 0.00 0.00 52.55 54.90 1h54 s ASP 100 Cb -0.27 1.22 0.06 0.00 -1.45 0.00 0.00 42.92 42.47 1h54 s ASP 100 CO 0.33 -0.35 0.94 0.18 0.13 0.00 0.00 175.17 176.40 1h54 n LEU 101 N 5.36 0.00 0.15 -1.34 4.77 -1.26 -0.23 117.00 124.46 1h54 n LEU 101 Ca 0.01 0.39 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1h54 n LEU 101 Cb 0.50 -0.39 0.26 0.00 -2.33 0.00 0.00 43.42 41.45 1h54 n LEU 101 CO -0.02 -0.37 0.76 0.00 -1.33 0.00 0.00 177.39 176.43 1h54 h ALA 102 N 2.05 0.94 0.00 -1.18 0.00 -1.95 -3.38 119.26 115.74 1h54 h ALA 102 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1h54 h ALA 102 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1h54 h ALA 102 CO 0.00 0.00 -1.03 1.63 0.00 0.00 0.00 179.25 179.85 1h54 n LYS 103 N -2.66 0.01 -2.09 0.00 5.02 0.34 -4.92 118.16 113.86 1h54 n LYS 103 Ca 0.04 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 1h54 n LYS 103 Cb 0.48 -0.98 0.02 0.00 -0.02 0.00 0.00 35.03 34.53 1h54 n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h54 s ASP 104 N -4.11 5.39 -0.01 4.39 -0.00 0.68 -5.03 116.67 117.99 1h54 s ASP 104 Ca -0.01 2.27 -0.14 0.00 -0.00 0.00 0.00 52.55 54.67 1h54 s ASP 104 Cb 0.00 -2.59 -0.05 0.00 -0.00 0.00 0.00 42.92 40.28 1h54 s ASP 104 CO 0.01 -1.45 0.38 -0.75 -0.00 0.00 0.00 175.17 173.36 1h54 s LYS 105 N -3.37 3.86 0.22 8.23 2.36 -1.26 -4.79 119.74 124.98 1h54 s LYS 105 Ca 0.75 0.35 0.00 0.00 -2.55 0.00 0.00 55.97 54.52 1h54 s LYS 105 Cb -0.27 -3.21 -0.05 0.00 -1.05 0.00 0.00 37.83 33.25 1h54 s LYS 105 CO 0.31 0.70 0.09 0.96 1.55 0.00 0.00 175.35 178.96 1h54 s ILE 106 N -1.08 0.38 0.17 5.43 -4.36 -1.26 -1.07 121.20 119.40 1h54 s ILE 106 Ca 0.23 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.60 1h54 s ILE 106 Cb -0.16 -2.47 -0.03 0.00 1.25 0.00 0.00 42.46 41.04 1h54 s ILE 106 CO 0.12 -0.11 0.15 -0.94 0.24 0.00 0.00 174.94 174.40 1h54 s SER 107 N -3.23 0.18 -1.29 4.36 1.04 -0.68 -4.88 113.70 109.21 1h54 s SER 107 Ca 0.35 -1.18 -0.18 0.00 0.48 0.00 0.00 55.95 55.42 1h54 s SER 107 Cb 0.07 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1h54 s SER 107 CO 0.11 -0.82 0.55 -0.67 0.98 0.00 0.00 173.24 173.39 1h54 n ASP 108 N -0.19 -2.85 -4.78 7.02 2.03 -1.26 -1.45 116.55 115.07 1h54 n ASP 108 Ca -0.03 -1.16 -0.37 0.00 0.52 0.00 0.00 54.79 53.74 1h54 n ASP 108 Cb 0.64 -2.40 -0.06 0.00 -0.72 0.00 0.00 41.12 38.57 1h54 n ASP 108 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1h54 s PHE 109 N -3.74 3.75 -0.17 -0.67 5.36 -1.26 -3.99 117.98 117.25 1h54 s PHE 109 Ca 0.31 1.80 -0.07 0.00 -0.96 0.00 0.00 56.93 58.01 1h54 s PHE 109 Cb -0.15 -2.93 0.07 0.00 -0.34 0.00 0.00 43.02 39.68 1h54 s PHE 109 CO 0.93 0.26 0.38 0.99 -1.46 0.00 0.00 175.22 176.31 1h54 s THR 110 N -1.54 -0.34 -0.19 0.12 2.01 0.55 -4.27 115.64 111.99 1h54 s THR 110 Ca 0.48 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1h54 s THR 110 Cb -0.20 -0.59 0.04 0.00 0.01 0.00 0.00 72.50 71.76 1h54 s THR 110 CO 0.25 0.07 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.94 1h54 s LEU 111 N 2.04 2.08 -0.15 4.42 2.96 -0.38 -0.21 118.68 129.45 1h54 s LEU 111 Ca -0.05 -0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 53.03 1h54 s LEU 111 Cb -0.11 -1.15 0.04 0.00 0.50 0.00 0.00 46.19 45.48 1h54 s LEU 111 CO -0.12 -0.15 0.00 -0.62 -1.32 0.00 0.00 176.35 174.14 1h54 s ASP 112 N 1.46 2.44 -0.48 3.68 3.68 0.16 -0.91 116.67 126.70 1h54 s ASP 112 Ca -0.01 -0.53 -0.19 0.00 2.13 0.00 0.00 52.55 53.95 1h54 s ASP 112 Cb -0.16 -0.63 0.04 0.00 -1.45 0.00 0.00 42.92 40.73 1h54 s ASP 112 CO -0.08 -0.24 0.61 -0.22 0.13 0.00 0.00 175.17 175.38 1h54 s LEU 113 N 1.84 4.80 -0.72 -1.34 2.96 -0.36 -0.01 118.68 125.84 1h54 s LEU 113 Ca 0.02 -0.71 -0.23 0.00 -0.22 0.00 0.00 54.13 52.99 1h54 s LEU 113 Cb -0.15 -2.52 0.07 0.00 0.50 0.00 0.00 46.19 44.09 1h54 s LEU 113 CO -0.07 -0.83 1.05 -0.62 -1.32 0.00 0.00 176.35 174.56 1h54 s ASP 114 N 2.38 6.24 0.44 3.68 -1.08 0.20 -1.61 116.67 126.93 1h54 s ASP 114 Ca 0.17 -1.06 0.22 0.00 -0.52 0.00 0.00 52.55 51.36 1h54 s ASP 114 Cb -0.17 -2.44 1.02 0.00 -1.46 0.00 0.00 42.92 39.87 1h54 s ASP 114 CO 0.14 -1.46 1.89 0.24 0.52 0.00 0.00 175.17 176.51 1h54 h MET 115 N 9.56 0.00 -0.10 4.34 2.86 -1.58 0.39 114.93 130.40 1h54 h MET 115 Ca -0.21 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.22 1h54 h MET 115 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1h54 h MET 115 CO 1.20 0.24 -0.78 1.25 1.06 0.00 0.00 176.91 179.89 1h54 h HIS 116 N 0.00 0.79 0.00 -0.22 -0.00 -1.91 -3.28 115.15 110.53 1h54 h HIS 116 Ca -0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 1h54 h HIS 116 Cb 0.62 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1h54 h HIS 116 CO 0.00 1.15 -1.19 1.04 -0.00 0.00 0.00 177.93 178.94 1h54 n GLN 117 N -3.87 0.16 -2.75 5.26 6.02 -1.20 -4.36 117.38 116.64 1h54 n GLN 117 Ca -0.06 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 56.80 1h54 n GLN 117 Cb 0.74 -1.51 0.05 0.00 1.02 0.00 0.00 30.24 30.53 1h54 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h54 n GLY 118 N 1.44 0.04 3.03 1.08 0.00 0.08 -4.45 105.19 106.40 1h54 n GLY 118 Ca 0.02 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1h54 n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h54 s VAL 119 N -3.18 0.51 -0.21 1.61 1.01 -0.90 -4.67 120.40 114.56 1h54 s VAL 119 Ca 0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1h54 s VAL 119 Cb -0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1h54 s VAL 119 CO 0.37 -0.19 0.00 -0.22 0.00 0.00 0.00 175.10 175.07 1h54 s LEU 120 N -1.03 3.21 0.05 3.92 2.96 -0.74 -0.63 118.68 126.42 1h54 s LEU 120 Ca -0.05 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1h54 s LEU 120 Cb -0.07 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1h54 s LEU 120 CO 0.00 0.03 -0.10 0.20 -1.32 0.00 0.00 176.35 175.16 1h54 s ASN 121 N 1.20 4.39 -0.21 3.68 0.01 0.99 -1.94 114.94 123.06 1h54 s ASN 121 Ca 0.03 -0.29 -0.14 0.00 -0.71 0.00 0.00 52.86 51.75 1h54 s ASN 121 Cb -0.15 -0.90 0.06 0.00 0.41 0.00 0.00 41.25 40.68 1h54 s ASN 121 CO 0.01 0.23 0.53 -0.60 -1.51 0.00 0.00 177.10 175.77 1h54 s ARG 122 N -1.76 0.56 0.02 -0.60 3.52 -0.93 0.36 118.95 120.11 1h54 s ARG 122 Ca 0.19 0.91 -0.18 0.00 -0.13 0.00 0.00 55.73 56.52 1h54 s ARG 122 Cb -0.11 0.12 0.03 0.00 -1.56 0.00 0.00 34.95 33.43 1h54 s ARG 122 CO 0.10 -0.13 0.39 -1.54 -0.81 0.00 0.00 175.30 173.30 1h54 s SER 123 N 1.16 -0.26 0.03 -2.12 1.04 0.70 0.57 113.70 114.81 1h54 s SER 123 Ca -0.07 0.06 -0.28 0.00 0.48 0.00 0.00 55.95 56.14 1h54 s SER 123 Cb -0.06 0.39 0.10 0.00 0.10 0.00 0.00 66.02 66.55 1h54 s SER 123 CO -0.11 -0.59 1.21 0.72 0.98 0.00 0.00 173.24 175.46 1h54 s PHE 124 N -2.02 -0.03 -0.14 5.02 -0.12 -0.80 -0.33 117.98 119.57 1h54 s PHE 124 Ca -0.08 -0.14 0.01 0.00 -0.05 0.00 0.00 56.93 56.66 1h54 s PHE 124 Cb -0.02 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1h54 s PHE 124 CO 0.01 -0.43 -0.16 0.08 -0.05 0.00 0.00 175.22 174.67 1h54 s VAL 125 N -2.43 2.70 -0.23 -2.49 1.01 -0.53 -0.75 120.40 117.69 1h54 s VAL 125 Ca 0.18 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 1h54 s VAL 125 Cb 0.02 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1h54 s VAL 125 CO -0.01 0.52 1.03 -0.69 0.00 0.00 0.00 175.10 175.95 1h54 s VAL 126 N 0.59 4.69 -0.52 2.92 1.01 0.13 -1.68 120.40 127.53 1h54 s VAL 126 Ca -0.09 2.01 -0.14 0.00 0.00 0.00 0.00 61.98 63.76 1h54 s VAL 126 Cb -0.16 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.05 1h54 s VAL 126 CO 0.03 -0.17 0.45 -1.61 0.00 0.00 0.00 175.10 173.81 1h54 s GLU 127 N 3.14 2.82 -0.59 2.72 0.41 -0.23 -2.20 118.70 124.78 1h54 s GLU 127 Ca 0.44 -1.75 0.05 0.00 -0.41 0.00 0.00 54.97 53.30 1h54 s GLU 127 Cb -0.15 -4.17 0.32 0.00 -1.78 0.00 0.00 34.13 28.35 1h54 s GLU 127 CO 0.06 -1.28 0.90 0.54 -0.49 0.00 0.00 175.26 174.99 1h54 n ARG 128 N 5.10 3.05 0.00 1.61 1.74 0.25 -4.28 116.66 124.13 1h54 n ARG 128 Ca -0.11 -4.79 0.00 0.00 -0.77 0.00 0.00 57.85 52.17 1h54 n ARG 128 Cb 0.40 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 1h54 n ARG 128 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h54 n GLY 129 N -0.01 3.12 0.21 -0.13 0.00 -1.26 -1.88 105.19 105.25 1h54 n GLY 129 Ca 0.31 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.30 1h54 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h54 h ALA 130 N -0.61 1.00 -2.48 4.61 0.00 -2.00 -3.41 119.26 116.36 1h54 h ALA 130 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1h54 h ALA 130 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1h54 h ALA 130 CO 0.00 0.00 0.01 0.08 0.00 0.00 0.00 179.25 179.34 1h54 s VAL 131 N -3.50 5.01 -0.07 0.00 1.01 -0.78 -4.38 120.40 117.69 1h54 s VAL 131 Ca 0.03 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1h54 s VAL 131 Cb 0.09 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.57 1h54 s VAL 131 CO 0.49 -0.09 -0.01 -0.13 0.00 0.00 0.00 175.10 175.36 1h54 s ARG 132 N 2.42 0.71 -0.08 2.72 0.52 -1.26 -0.58 118.95 123.41 1h54 s ARG 132 Ca 0.21 0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.48 1h54 s ARG 132 Cb -0.15 -1.01 0.02 0.00 0.52 0.00 0.00 34.95 34.32 1h54 s ARG 132 CO 0.12 -0.28 -0.09 0.08 0.02 0.00 0.00 175.30 175.15 1h54 s VAL 133 N 1.83 0.96 0.09 3.52 1.01 -0.93 -0.34 120.40 126.54 1h54 s VAL 133 Ca 0.03 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 1h54 s VAL 133 Cb -0.12 -0.93 -0.07 0.00 0.00 0.00 0.00 36.38 35.26 1h54 s VAL 133 CO -0.05 0.33 0.66 0.00 0.00 0.00 0.00 175.10 176.04 1h54 s ALA 134 N 1.08 3.50 -0.07 5.51 0.00 -0.02 0.17 121.76 131.94 1h54 s ALA 134 Ca -0.07 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1h54 s ALA 134 Cb -0.14 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.20 1h54 s ALA 134 CO -0.01 0.29 -0.08 -0.51 0.00 0.00 0.00 175.76 175.44 1h54 s LEU 135 N -0.84 1.39 -0.19 0.00 1.43 0.07 -1.66 118.68 118.89 1h54 s LEU 135 Ca 0.33 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1h54 s LEU 135 Cb -0.21 -0.70 0.03 0.00 0.03 0.00 0.00 46.19 45.35 1h54 s LEU 135 CO 0.21 -0.04 -0.13 0.20 0.23 0.00 0.00 176.35 176.82 1h54 s ASN 136 N 1.04 3.26 0.13 2.29 0.01 -0.13 -1.90 114.94 119.63 1h54 s ASN 136 Ca -0.08 -0.78 0.05 0.00 -0.71 0.00 0.00 52.86 51.33 1h54 s ASN 136 Cb -0.14 -1.30 -0.04 0.00 0.41 0.00 0.00 41.25 40.18 1h54 s ASN 136 CO -0.00 -0.10 0.09 -0.36 -1.51 0.00 0.00 177.10 175.22 1h54 s PHE 137 N 1.37 3.11 -0.24 2.20 0.40 0.19 -0.88 117.98 124.13 1h54 s PHE 137 Ca 0.01 -0.00 -0.18 0.00 -0.60 0.00 0.00 56.93 56.16 1h54 s PHE 137 Cb -0.15 -1.53 0.07 0.00 0.51 0.00 0.00 43.02 41.92 1h54 s PHE 137 CO -0.10 0.52 0.61 -1.14 0.70 0.00 0.00 175.22 175.81 1h54 s GLN 138 N -2.81 0.67 0.20 0.44 0.74 -0.79 -2.20 119.66 115.91 1h54 s GLN 138 Ca 0.30 0.98 -0.17 0.00 0.05 0.00 0.00 55.36 56.52 1h54 s GLN 138 Cb -0.11 0.22 0.02 0.00 1.10 0.00 0.00 33.01 34.24 1h54 s GLN 138 CO 0.22 -0.12 0.52 -0.98 -0.55 0.00 0.00 175.29 174.38 1h54 s ARG 139 N 0.97 1.40 0.02 1.67 1.70 -0.82 -0.75 118.95 123.14 1h54 s ARG 139 Ca -0.05 -0.91 -0.28 0.00 -0.47 0.00 0.00 55.73 54.02 1h54 s ARG 139 Cb -0.05 0.51 0.09 0.00 -0.57 0.00 0.00 34.95 34.94 1h54 s ARG 139 CO -0.09 -0.59 0.80 -0.59 -1.08 0.00 0.00 175.30 173.75 1h54 s PHE 140 N -3.89 -0.43 -0.35 5.89 -0.12 -0.43 -1.79 117.98 116.86 1h54 s PHE 140 Ca 0.11 0.38 -0.06 0.00 -0.05 0.00 0.00 56.93 57.30 1h54 s PHE 140 Cb -0.01 0.52 0.05 0.00 -0.63 0.00 0.00 43.02 42.95 1h54 s PHE 140 CO -0.01 -0.61 0.12 -0.51 -0.05 0.00 0.00 175.22 174.15 1h54 s LEU 141 N -2.28 4.42 0.09 -1.99 1.43 -1.26 -1.29 118.68 117.80 1h54 s LEU 141 Ca 0.02 -1.22 -0.33 0.00 -1.03 0.00 0.00 54.13 51.57 1h54 s LEU 141 Cb -0.01 -1.87 -0.13 0.00 0.03 0.00 0.00 46.19 44.21 1h54 s LEU 141 CO -0.07 -0.35 1.71 -0.24 0.23 0.00 0.00 176.35 177.63 1h54 n SER 142 N 4.81 3.39 -0.36 2.29 2.88 -0.54 -4.57 113.62 121.52 1h54 n SER 142 Ca -0.12 1.03 0.13 0.00 -1.33 0.00 0.00 58.87 58.59 1h54 n SER 142 Cb 0.44 -1.44 0.45 0.00 -0.75 0.00 0.00 64.21 62.92 1h54 n SER 142 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1h54 n VAL 143 N 4.14 0.00 -0.06 2.46 0.24 -1.26 -3.42 118.33 120.43 1h54 n VAL 143 Ca 0.19 -0.19 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1h54 n VAL 143 Cb 0.31 0.45 -0.13 0.00 -1.47 0.00 0.00 33.84 33.00 1h54 n VAL 143 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h54 n ALA 144 N -0.24 0.96 -3.86 2.33 0.00 -1.26 -4.69 120.51 113.76 1h54 n ALA 144 Ca 0.16 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 1h54 n ALA 144 Cb 0.35 -0.48 -0.14 0.00 0.00 0.00 0.00 19.45 19.18 1h54 n ALA 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1h54 s GLN 145 N -2.49 1.73 0.35 0.00 2.00 -1.25 -5.01 119.66 114.99 1h54 s GLN 145 Ca -0.28 -2.41 0.15 0.00 -2.00 0.00 0.00 55.36 50.82 1h54 s GLN 145 Cb 0.08 -2.95 1.17 0.00 0.80 0.00 0.00 33.01 32.11 1h54 s GLN 145 CO 0.67 -1.13 1.57 -2.30 -0.50 0.00 0.00 175.29 173.59 1h54 n PRO 146 N 3.24 -0.07 0.00 1.67 -0.02 -1.22 -0.06 135.00 138.54 1h54 n PRO 146 Ca 0.07 1.41 0.14 0.00 -2.02 0.00 0.00 63.50 63.09 1h54 n PRO 146 Cb 0.33 -2.43 0.73 0.00 -0.02 0.00 0.00 33.50 32.11 1h54 n PRO 146 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1h54 n GLU 147 N -5.32 0.44 -3.54 -0.52 4.71 -1.26 -4.74 120.64 110.41 1h54 n GLU 147 Ca 0.34 0.01 -0.37 0.00 -0.01 0.00 0.00 57.16 57.13 1h54 n GLU 147 Cb 1.13 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.98 1h54 n GLU 147 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1h54 s LEU 148 N -2.53 4.19 -0.14 -4.62 2.96 0.91 -0.02 118.68 119.43 1h54 s LEU 148 Ca 0.28 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 1h54 s LEU 148 Cb 0.19 -2.33 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 1h54 s LEU 148 CO 0.43 0.05 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.78 1h54 s SER 149 N 0.72 3.48 -0.09 3.68 0.15 -0.28 -1.47 113.70 119.89 1h54 s SER 149 Ca 0.15 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.34 1h54 s SER 149 Cb -0.13 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 1h54 s SER 149 CO 0.04 0.11 -0.21 -0.69 1.20 0.00 0.00 173.24 173.69 1h54 s VAL 150 N 0.64 1.86 0.02 4.45 1.01 -0.41 -0.83 120.40 127.14 1h54 s VAL 150 Ca -0.09 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1h54 s VAL 150 Cb -0.16 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1h54 s VAL 150 CO 0.02 0.52 -0.16 -1.10 0.00 0.00 0.00 175.10 174.38 1h54 s GLN 151 N 0.42 1.17 -0.01 2.72 -0.21 -0.68 -1.32 119.66 121.76 1h54 s GLN 151 Ca -0.18 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.47 1h54 s GLN 151 Cb -0.17 -1.19 0.01 0.00 1.00 0.00 0.00 33.01 32.65 1h54 s GLN 151 CO 0.08 0.31 0.00 0.21 -2.12 0.00 0.00 175.29 173.77 1h54 s LYS 152 N -0.87 0.10 -0.07 2.91 2.20 0.07 -0.15 119.74 123.92 1h54 s LYS 152 Ca 0.05 0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 1h54 s LYS 152 Cb -0.07 -0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.05 1h54 s LYS 152 CO 0.01 -0.06 -0.11 0.08 -0.36 0.00 0.00 175.35 174.91 1h54 s VAL 153 N 0.47 1.08 -0.13 4.02 1.01 -0.04 -1.89 120.40 124.93 1h54 s VAL 153 Ca -0.04 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1h54 s VAL 153 Cb -0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1h54 s VAL 153 CO -0.01 0.34 -0.17 -0.89 0.00 0.00 0.00 175.10 174.37 1h54 s THR 154 N 0.73 2.60 -0.05 3.92 2.01 -0.06 -1.09 115.64 123.71 1h54 s THR 154 Ca -0.13 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.09 1h54 s THR 154 Cb -0.16 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 1h54 s THR 154 CO 0.03 0.53 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.64 1h54 s VAL 155 N 0.49 2.93 -0.03 3.82 1.01 0.12 -0.96 120.40 127.77 1h54 s VAL 155 Ca -0.12 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1h54 s VAL 155 Cb -0.16 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1h54 s VAL 155 CO 0.05 0.59 0.06 -0.75 0.00 0.00 0.00 175.10 175.05 1h54 s LYS 156 N -0.68 -0.04 -0.33 2.72 2.20 -0.67 -0.68 119.74 122.26 1h54 s LYS 156 Ca 0.11 0.29 -0.29 0.00 -0.36 0.00 0.00 55.97 55.72 1h54 s LYS 156 Cb -0.11 -0.33 0.02 0.00 -1.51 0.00 0.00 37.83 35.90 1h54 s LYS 156 CO 0.00 -0.23 1.07 1.21 -0.36 0.00 0.00 175.35 177.05 1h54 s ASN 157 N 1.51 6.90 0.00 1.43 3.04 -0.60 -0.84 114.94 126.39 1h54 s ASN 157 Ca -0.04 0.98 0.24 0.00 0.04 0.00 0.00 52.86 54.08 1h54 s ASN 157 Cb -0.12 -2.54 0.17 0.00 -1.54 0.00 0.00 41.25 37.21 1h54 s ASN 157 CO -0.03 -0.91 1.23 0.18 -3.04 0.00 0.00 177.10 174.52 1h54 n LEU 158 N 6.95 2.53 -4.72 3.21 4.77 0.54 0.44 117.00 130.72 1h54 n LEU 158 Ca 0.12 -0.87 -0.29 0.00 -0.03 0.00 0.00 56.01 54.94 1h54 n LEU 158 Cb 0.47 -0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.71 1h54 n LEU 158 CO 0.60 0.44 0.67 -0.44 -1.33 0.00 0.00 177.39 177.33 1h54 s SER 159 N -2.19 3.17 0.00 -1.43 0.01 -0.98 -4.83 113.70 107.45 1h54 s SER 159 Ca 0.25 1.21 0.27 0.00 1.31 0.00 0.00 55.95 58.99 1h54 s SER 159 Cb 0.19 -1.87 0.89 0.00 0.21 0.00 0.00 66.02 65.44 1h54 s SER 159 CO 0.41 -2.80 1.67 0.47 0.41 0.00 0.00 173.24 173.41 1h54 n ASP 160 N -3.96 0.33 -4.39 2.44 8.00 -1.26 -4.48 116.55 113.24 1h54 n ASP 160 Ca 0.06 -0.05 -0.19 0.00 0.71 0.00 0.00 54.79 55.32 1h54 n ASP 160 Cb 0.57 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.49 1h54 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h54 s ALA 161 N -2.90 2.07 0.52 2.24 0.00 -1.26 -4.83 121.76 117.60 1h54 s ALA 161 Ca 0.15 -1.91 -0.21 0.00 0.00 0.00 0.00 51.96 49.99 1h54 s ALA 161 Cb 0.18 0.60 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 1h54 s ALA 161 CO 0.60 -0.28 1.24 -1.21 0.00 0.00 0.00 175.76 176.10 1h54 s GLU 162 N -3.88 3.34 0.02 0.00 2.02 -1.26 -4.44 118.70 114.49 1h54 s GLU 162 Ca 0.33 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.26 1h54 s GLU 162 Cb 0.07 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 1h54 s GLU 162 CO 0.12 -0.94 -0.03 0.14 0.02 0.00 0.00 175.26 174.57 1h54 s VAL 163 N -1.49 0.17 -0.09 2.63 -7.23 -0.85 -4.97 120.40 108.57 1h54 s VAL 163 Ca 0.70 -0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 60.11 1h54 s VAL 163 Cb -0.33 -0.25 -0.05 0.00 0.56 0.00 0.00 36.38 36.31 1h54 s VAL 163 CO 0.38 -0.28 0.36 -1.81 -0.31 0.00 0.00 175.10 173.43 1h54 s ASP 164 N -0.94 6.61 -0.05 4.85 1.01 -1.26 -1.16 116.67 125.73 1h54 s ASP 164 Ca -0.09 0.72 0.03 0.00 0.71 0.00 0.00 52.55 53.92 1h54 s ASP 164 Cb -0.06 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.65 1h54 s ASP 164 CO -0.00 0.18 -0.13 -0.69 0.21 0.00 0.00 175.17 174.73 1h54 s VAL 165 N -0.15 1.16 -0.06 -1.27 1.01 -0.67 0.41 120.40 120.83 1h54 s VAL 165 Ca 0.21 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1h54 s VAL 165 Cb -0.15 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1h54 s VAL 165 CO 0.08 0.35 -0.08 -0.89 0.00 0.00 0.00 175.10 174.56 1h54 s THR 166 N 0.32 0.85 -0.09 3.92 2.01 0.04 -1.66 115.64 121.02 1h54 s THR 166 Ca -0.08 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 1h54 s THR 166 Cb -0.12 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 1h54 s THR 166 CO 0.02 0.30 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.45 1h54 s LEU 167 N 0.95 3.31 -0.60 4.42 1.02 0.20 -0.66 118.68 127.32 1h54 s LEU 167 Ca -0.10 0.01 0.06 0.00 0.02 0.00 0.00 54.13 54.12 1h54 s LEU 167 Cb -0.15 -1.75 0.23 0.00 0.02 0.00 0.00 46.19 44.55 1h54 s LEU 167 CO 0.00 0.33 0.64 0.29 0.02 0.00 0.00 176.35 177.63 1h54 n LYS 168 N 2.47 1.95 -1.68 1.70 5.02 -0.67 -1.24 118.16 125.71 1h54 n LYS 168 Ca -0.18 -4.30 -0.48 0.00 -2.02 0.00 0.00 58.31 51.33 1h54 n LYS 168 Cb 0.53 -2.05 -0.05 0.00 -0.02 0.00 0.00 35.03 33.45 1h54 n LYS 168 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1h54 n PRO 169 N 1.27 2.12 -4.04 1.97 -0.02 -1.23 -4.02 135.00 131.05 1h54 n PRO 169 Ca 0.27 0.77 -0.12 0.00 -2.02 0.00 0.00 63.50 62.40 1h54 n PRO 169 Cb 0.42 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 1h54 n PRO 169 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1h54 s SER 170 N 2.97 0.45 -0.10 2.55 1.04 -0.76 -1.73 113.70 118.12 1h54 s SER 170 Ca 0.88 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1h54 s SER 170 Cb -0.70 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.07 1h54 s SER 170 CO 0.48 -1.24 -0.10 -0.63 0.98 0.00 0.00 173.24 172.72 1h54 s ILE 171 N -3.40 1.14 -0.23 -1.02 1.01 -0.40 -3.85 121.20 114.44 1h54 s ILE 171 Ca 0.27 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.54 1h54 s ILE 171 Cb -0.00 -1.10 0.04 0.00 0.01 0.00 0.00 42.46 41.41 1h54 s ILE 171 CO 0.15 0.37 -0.15 -0.62 0.00 0.00 0.00 174.94 174.70 1h54 s ASP 172 N 1.28 3.89 0.00 3.58 -1.08 -0.20 -1.60 116.67 122.54 1h54 s ASP 172 Ca -0.03 -1.08 0.28 0.00 -0.52 0.00 0.00 52.55 51.20 1h54 s ASP 172 Cb -0.14 -1.52 1.05 0.00 -1.46 0.00 0.00 42.92 40.86 1h54 s ASP 172 CO -0.04 -0.11 1.75 0.00 0.52 0.00 0.00 175.17 177.29 1h54 n ALA 173 N 4.51 2.88 -1.89 3.66 0.00 0.99 -0.79 120.51 129.87 1h54 n ALA 173 Ca -0.17 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 1h54 n ALA 173 Cb 0.45 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 1h54 n ALA 173 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1h54 n ASP 174 N -0.95 3.88 -4.48 0.00 -0.08 -1.26 -4.87 116.55 108.79 1h54 n ASP 174 Ca 0.13 -2.83 -0.25 0.00 -1.51 0.00 0.00 54.79 50.33 1h54 n ASP 174 Cb 0.30 -1.60 -0.10 0.00 2.34 0.00 0.00 41.12 42.06 1h54 n ASP 174 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1h54 s VAL 175 N 4.32 1.33 0.15 5.18 -7.23 -1.26 -5.02 120.40 117.87 1h54 s VAL 175 Ca 0.52 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.47 1h54 s VAL 175 Cb 0.10 -2.74 0.06 0.00 0.56 0.00 0.00 36.38 34.36 1h54 s VAL 175 CO 0.00 0.00 0.56 0.00 -0.31 0.00 0.00 175.10 175.35 1h54 s MET 176 N -3.82 1.23 -0.26 4.82 0.23 -1.26 -4.69 119.30 115.55 1h54 s MET 176 Ca 0.32 -0.50 -0.19 0.00 -1.03 0.00 0.00 55.69 54.29 1h54 s MET 176 Cb 0.08 0.56 -0.02 0.00 -1.53 0.00 0.00 34.83 33.92 1h54 s MET 176 CO 0.15 -0.52 0.56 -0.80 -2.03 0.00 0.00 175.02 172.38 1h54 s ASN 177 N -2.72 6.50 0.59 -1.18 -0.87 -1.26 -4.80 114.94 111.19 1h54 s ASN 177 Ca 0.01 0.60 0.29 0.00 -1.57 0.00 0.00 52.86 52.19 1h54 s ASN 177 Cb -0.00 -2.31 1.77 0.00 -0.02 0.00 0.00 41.25 40.69 1h54 s ASN 177 CO -0.12 -0.32 2.21 -0.08 -2.57 0.00 0.00 177.10 176.21 1h54 h GLU 178 N 7.97 0.00 -0.80 -0.60 4.81 -1.98 -1.68 114.58 122.29 1h54 h GLU 178 Ca -0.28 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.68 1h54 h GLU 178 Cb 1.13 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.35 1h54 h GLU 178 CO 0.74 0.00 0.35 0.39 -0.73 0.00 0.00 179.01 179.76 1h54 n GLU 179 N -3.84 3.51 -2.10 1.92 -0.58 -1.26 -4.97 120.64 113.31 1h54 n GLU 179 Ca -0.02 -3.09 -0.42 0.00 -0.42 0.00 0.00 57.16 53.22 1h54 n GLU 179 Cb 0.15 -2.22 -0.03 0.00 -0.57 0.00 0.00 31.44 28.77 1h54 n GLU 179 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1h54 s ALA 180 N -3.06 3.62 0.37 0.62 0.00 -0.63 -4.92 121.76 117.76 1h54 s ALA 180 Ca 0.56 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.77 1h54 s ALA 180 Cb 0.45 -3.54 0.70 0.00 0.00 0.00 0.00 23.12 20.73 1h54 s ALA 180 CO 0.13 -0.66 2.03 -0.91 0.00 0.00 0.00 175.76 176.35 1h54 h ASN 181 N 6.00 0.65 0.00 0.00 2.35 -1.91 -3.21 115.58 119.46 1h54 h ASN 181 Ca -0.44 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 1h54 h ASN 181 Cb 1.21 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 1h54 h ASN 181 CO 0.83 0.47 -0.51 -1.22 -1.65 0.00 0.00 177.43 175.35 1h54 n TYR 182 N -4.45 0.00 -3.77 1.19 4.02 -1.26 -5.01 117.16 107.88 1h54 n TYR 182 Ca 0.05 -1.42 -0.33 0.00 -0.01 0.00 0.00 57.90 56.20 1h54 n TYR 182 Cb 0.05 -0.24 0.03 0.00 -0.02 0.00 0.00 39.34 39.15 1h54 n TYR 182 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1h54 n ASP 183 N -1.04 -5.10 -4.02 7.72 2.03 -1.21 -4.98 116.55 109.95 1h54 n ASP 183 Ca 0.18 -1.02 -0.08 0.00 0.52 0.00 0.00 54.79 54.38 1h54 n ASP 183 Cb 0.71 -2.71 -0.11 0.00 -0.72 0.00 0.00 41.12 38.29 1h54 n ASP 183 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1h54 s GLU 184 N -6.00 0.42 0.53 -0.67 -1.05 -1.26 -5.14 118.70 105.52 1h54 s GLU 184 Ca 0.36 -0.82 -0.17 0.00 -0.15 0.00 0.00 54.97 54.19 1h54 s GLU 184 Cb -0.16 0.14 -0.07 0.00 -0.44 0.00 0.00 34.13 33.60 1h54 s GLU 184 CO 0.89 -0.07 1.02 -0.98 0.95 0.00 0.00 175.26 177.07 1h54 s ARG 185 N -2.31 3.72 0.00 -4.83 1.70 -1.26 -4.72 118.95 111.25 1h54 s ARG 185 Ca -0.08 1.13 0.13 0.00 -0.47 0.00 0.00 55.73 56.43 1h54 s ARG 185 Cb -0.04 -2.09 -0.08 0.00 -0.57 0.00 0.00 34.95 32.17 1h54 s ARG 185 CO -0.04 -0.47 0.62 1.19 -1.08 0.00 0.00 175.30 175.51 1h54 n PHE 186 N -1.56 0.00 -4.47 5.89 0.99 -1.26 -4.90 117.46 112.16 1h54 n PHE 186 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.21 1h54 n PHE 186 Cb 0.53 0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 38.91 1h54 n PHE 186 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1h54 s TRP 187 N -1.92 2.85 -0.09 1.38 0.52 -1.26 -1.14 118.94 119.28 1h54 s TRP 187 Ca 0.07 -0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.16 1h54 s TRP 187 Cb 0.10 -1.59 0.01 0.00 -1.15 0.00 0.00 33.47 30.84 1h54 s TRP 187 CO 0.43 0.36 -0.18 -0.51 0.02 0.00 0.00 176.95 177.07 1h54 s ASP 188 N -1.46 2.51 -0.01 2.95 1.01 0.16 -4.80 116.67 117.03 1h54 s ASP 188 Ca 0.17 -0.45 -0.30 0.00 0.71 0.00 0.00 52.55 52.69 1h54 s ASP 188 Cb -0.11 -1.15 -0.03 0.00 1.01 0.00 0.00 42.92 42.64 1h54 s ASP 188 CO 0.08 0.09 0.98 -0.69 0.21 0.00 0.00 175.17 175.84 1h54 s VAL 189 N 0.58 4.86 -0.21 -1.27 1.01 -1.26 -0.93 120.40 123.18 1h54 s VAL 189 Ca -0.15 2.06 -0.03 0.00 0.00 0.00 0.00 61.98 63.86 1h54 s VAL 189 Cb -0.17 -4.32 -0.20 0.00 0.00 0.00 0.00 36.38 31.70 1h54 s VAL 189 CO 0.05 0.14 -0.02 0.18 0.00 0.00 0.00 175.10 175.45 1h54 n LEU 190 N 4.05 2.76 -3.69 3.92 4.77 0.11 -4.95 117.00 123.97 1h54 n LEU 190 Ca 0.06 0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 1h54 n LEU 190 Cb 0.51 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 1h54 n LEU 190 CO 0.52 0.86 0.22 0.00 -1.33 0.00 0.00 177.39 177.67 1h54 s ALA 191 N -2.53 -1.33 0.02 -1.18 0.00 -0.97 -5.00 121.76 110.78 1h54 s ALA 191 Ca -0.31 1.50 0.05 0.00 0.00 0.00 0.00 51.96 53.20 1h54 s ALA 191 Cb 0.08 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1h54 s ALA 191 CO 0.65 -0.26 -0.15 0.95 0.00 0.00 0.00 175.76 176.95 1h54 s THR 192 N 0.24 1.22 -0.03 0.00 -4.23 -1.26 -0.46 115.64 111.11 1h54 s THR 192 Ca -0.00 -0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1h54 s THR 192 Cb -0.04 -1.06 0.03 0.00 1.34 0.00 0.00 72.50 72.77 1h54 s THR 192 CO 0.01 0.15 0.06 -0.62 -0.54 0.00 0.00 174.62 173.67 1h54 s ASP 193 N -0.88 0.45 -0.09 3.99 -1.08 -0.24 -4.99 116.67 113.83 1h54 s ASP 193 Ca 0.04 0.09 0.02 0.00 -0.52 0.00 0.00 52.55 52.18 1h54 s ASP 193 Cb -0.07 -0.05 0.01 0.00 -1.46 0.00 0.00 42.92 41.35 1h54 s ASP 193 CO 0.01 -0.18 -0.13 -1.58 0.52 0.00 0.00 175.17 173.81 1h54 s GLN 194 N 1.52 1.91 0.36 4.34 0.74 -1.26 -0.97 119.66 126.30 1h54 s GLN 194 Ca -0.04 -0.46 0.04 0.00 0.05 0.00 0.00 55.36 54.95 1h54 s GLN 194 Cb -0.12 -1.63 -0.01 0.00 1.10 0.00 0.00 33.01 32.35 1h54 s GLN 194 CO -0.03 -0.03 0.13 1.04 -0.55 0.00 0.00 175.29 175.84 1h54 n GLN 195 N 4.07 0.62 -0.09 1.67 6.02 -0.47 -5.00 117.38 124.19 1h54 n GLN 195 Ca -0.20 -3.08 -0.06 0.00 -0.01 0.00 0.00 57.00 53.65 1h54 n GLN 195 Cb 0.51 1.67 0.12 0.00 1.02 0.00 0.00 30.24 33.57 1h54 n GLN 195 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h54 h ALA 196 N 1.60 0.97 -0.03 -1.58 0.00 -1.98 -3.31 119.26 114.94 1h54 h ALA 196 Ca -0.28 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1h54 h ALA 196 Cb 1.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1h54 h ALA 196 CO 0.45 0.61 0.00 -0.40 0.00 0.00 0.00 179.25 179.90 1h54 n ASP 197 N -4.15 1.98 -3.91 0.00 3.85 -1.26 -4.76 116.55 108.29 1h54 n ASP 197 Ca 0.01 -1.88 -0.11 0.00 -0.71 0.00 0.00 54.79 52.10 1h54 n ASP 197 Cb 0.38 -0.02 -0.06 0.00 -1.35 0.00 0.00 41.12 40.07 1h54 n ASP 197 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1h54 s ARG 198 N -0.89 1.55 -0.21 0.11 0.52 -1.25 -4.16 118.95 114.61 1h54 s ARG 198 Ca 0.02 -1.41 -0.29 0.00 -0.52 0.00 0.00 55.73 53.53 1h54 s ARG 198 Cb 0.01 0.43 0.15 0.00 0.52 0.00 0.00 34.95 36.06 1h54 s ARG 198 CO 0.02 -0.62 1.12 0.20 0.02 0.00 0.00 175.30 176.03 1h54 s GLY 199 N -3.08 -0.12 -0.02 -3.53 0.00 -1.18 -1.37 107.32 98.01 1h54 s GLY 199 Ca 0.27 2.40 -0.27 0.00 0.00 0.00 0.00 44.72 47.12 1h54 s GLY 199 CO 0.11 1.20 0.60 -1.35 0.00 0.00 0.00 173.10 173.66 1h54 s SER 200 N -0.85 -0.55 -0.03 1.64 1.04 -0.14 -0.57 113.70 114.23 1h54 s SER 200 Ca 0.02 0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.98 1h54 s SER 200 Cb -0.01 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1h54 s SER 200 CO -0.03 -0.61 -0.03 -0.63 0.98 0.00 0.00 173.24 172.92 1h54 s ILE 201 N -1.47 0.38 -0.22 -1.02 1.01 -0.26 -1.08 121.20 118.54 1h54 s ILE 201 Ca -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 1h54 s ILE 201 Cb -0.01 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 42.07 1h54 s ILE 201 CO 0.07 0.16 -0.09 -0.69 0.00 0.00 0.00 174.94 174.39 1h54 s VAL 202 N 0.62 2.88 0.24 2.92 1.01 0.39 -1.51 120.40 126.94 1h54 s VAL 202 Ca -0.07 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.24 1h54 s VAL 202 Cb -0.10 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1h54 s VAL 202 CO -0.00 0.39 -0.18 0.00 0.00 0.00 0.00 175.10 175.30 1h54 s ALA 203 N 1.38 2.43 -0.04 5.51 0.00 -0.09 0.08 121.76 131.03 1h54 s ALA 203 Ca 0.04 -1.76 -0.03 0.00 0.00 0.00 0.00 51.96 50.21 1h54 s ALA 203 Cb -0.15 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1h54 s ALA 203 CO -0.06 0.21 0.10 0.21 0.00 0.00 0.00 175.76 176.22 1h54 s LYS 204 N -3.44 0.11 0.48 0.00 2.20 -0.10 -0.03 119.74 118.96 1h54 s LYS 204 Ca 0.26 0.16 -0.24 0.00 -0.36 0.00 0.00 55.97 55.79 1h54 s LYS 204 Cb -0.04 0.03 -0.07 0.00 -1.51 0.00 0.00 37.83 36.24 1h54 s LYS 204 CO 0.11 -0.03 1.33 0.95 -0.36 0.00 0.00 175.35 177.35 1h54 s THR 205 N 0.18 2.37 0.82 3.43 -4.23 -0.24 -0.66 115.64 117.30 1h54 s THR 205 Ca -0.01 0.30 -0.13 0.00 -1.18 0.00 0.00 61.69 60.66 1h54 s THR 205 Cb -0.02 -3.16 0.07 0.00 1.34 0.00 0.00 72.50 70.73 1h54 s THR 205 CO -0.00 0.02 1.07 0.35 -0.54 0.00 0.00 174.62 175.52 1h54 n THR 206 N -0.49 1.72 -0.84 3.99 -2.24 -0.29 -4.67 114.28 111.47 1h54 n THR 206 Ca 0.07 -0.21 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 1h54 n THR 206 Cb 0.44 -1.10 0.16 0.00 -2.10 0.00 0.00 70.33 67.74 1h54 n THR 206 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1h54 s PRO 207 N -3.98 1.04 0.04 -0.78 0.04 -1.26 -4.97 135.00 125.13 1h54 s PRO 207 Ca 0.71 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 1h54 s PRO 207 Cb -0.29 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1h54 s PRO 207 CO 0.53 -2.54 -0.02 0.54 0.04 0.00 0.00 177.00 175.55 1h54 s ASN 208 N -2.87 0.41 -0.04 6.66 2.20 -1.26 -5.05 114.94 114.99 1h54 s ASN 208 Ca 0.65 -0.85 0.18 0.00 -0.94 0.00 0.00 52.86 51.91 1h54 s ASN 208 Cb -0.21 0.18 0.61 0.00 -2.00 0.00 0.00 41.25 39.82 1h54 s ASN 208 CO 0.58 -0.52 1.50 -0.81 -2.94 0.00 0.00 177.10 174.91 1h54 n PRO 209 N 0.50 2.90 -0.18 3.55 -0.04 -1.26 -4.24 135.00 136.24 1h54 n PRO 209 Ca -0.17 -2.43 0.12 0.00 -0.04 0.00 0.00 63.50 60.98 1h54 n PRO 209 Cb 0.59 -1.64 0.22 0.00 -0.04 0.00 0.00 33.50 32.63 1h54 n PRO 209 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1h54 n PHE 210 N 1.23 0.46 -1.33 0.54 3.01 -1.26 -4.95 117.46 115.16 1h54 n PHE 210 Ca 0.22 -0.23 -0.11 0.00 1.01 0.00 0.00 57.45 58.34 1h54 n PHE 210 Cb 0.66 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.08 1h54 n PHE 210 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h54 n GLY 211 N 1.49 1.19 3.92 1.37 0.00 -1.26 -4.99 105.19 106.90 1h54 n GLY 211 Ca 0.19 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1h54 n GLY 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h54 s THR 212 N -2.22 4.98 0.39 2.61 -4.23 -1.26 -5.03 115.64 110.88 1h54 s THR 212 Ca 0.00 -0.03 -0.28 0.00 -1.18 0.00 0.00 61.69 60.20 1h54 s THR 212 Cb 0.00 -3.85 -0.10 0.00 1.34 0.00 0.00 72.50 69.89 1h54 s THR 212 CO 0.00 -0.70 1.46 -2.16 -0.54 0.00 0.00 174.62 172.68 1h54 s PRO 213 N -4.47 4.04 0.00 3.99 0.04 -1.26 -4.89 135.00 132.45 1h54 s PRO 213 Ca 0.45 2.51 -0.05 0.00 0.04 0.00 0.00 61.00 63.94 1h54 s PRO 213 Cb -0.10 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 1h54 s PRO 213 CO 0.40 -0.57 0.24 1.03 0.04 0.00 0.00 177.00 178.15 1h54 s ARG 214 N -2.15 3.54 -0.05 4.56 0.52 -1.26 -4.93 118.95 119.18 1h54 s ARG 214 Ca 0.54 -0.14 0.05 0.00 -0.52 0.00 0.00 55.73 55.65 1h54 s ARG 214 Cb -0.45 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 1h54 s ARG 214 CO 0.61 0.65 -0.18 -0.06 0.02 0.00 0.00 175.30 176.35 1h54 s PHE 215 N -1.31 2.60 -0.13 -0.53 0.40 -1.26 -4.92 117.98 112.83 1h54 s PHE 215 Ca 0.27 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1h54 s PHE 215 Cb -0.13 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1h54 s PHE 215 CO 0.17 0.09 -0.07 0.99 0.70 0.00 0.00 175.22 177.10 1h54 s THR 216 N -0.61 3.64 0.03 0.64 2.01 -1.26 -1.08 115.64 119.01 1h54 s THR 216 Ca 0.09 -0.46 0.08 0.00 0.31 0.00 0.00 61.69 61.71 1h54 s THR 216 Cb -0.11 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1h54 s THR 216 CO 0.01 0.52 -0.22 -0.94 -0.69 0.00 0.00 174.62 173.30 1h54 s SER 217 N 0.11 3.50 -0.13 3.53 1.04 0.96 -0.87 113.70 121.85 1h54 s SER 217 Ca -0.03 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1h54 s SER 217 Cb -0.14 -0.49 0.02 0.00 0.10 0.00 0.00 66.02 65.52 1h54 s SER 217 CO 0.03 0.27 -0.11 -0.83 0.98 0.00 0.00 173.24 173.59 1h54 s GLY 218 N -1.19 0.96 -0.10 7.32 0.00 -0.07 -0.91 107.32 113.33 1h54 s GLY 218 Ca 0.13 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.17 1h54 s GLY 218 CO 0.03 0.64 -0.14 1.06 0.00 0.00 0.00 173.10 174.69 1h54 s MET 219 N 1.55 2.03 -0.05 2.90 -1.94 -0.57 -1.32 119.30 121.90 1h54 s MET 219 Ca 0.04 -0.50 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 1h54 s MET 219 Cb -0.13 -1.75 0.01 0.00 2.01 0.00 0.00 34.83 34.97 1h54 s MET 219 CO -0.09 -0.06 -0.12 -2.00 -0.01 0.00 0.00 175.02 172.74 1h54 s GLU 220 N 0.98 1.56 -0.07 2.03 2.12 -0.74 -1.11 118.70 123.47 1h54 s GLU 220 Ca -0.07 -0.42 -0.02 0.00 0.36 0.00 0.00 54.97 54.82 1h54 s GLU 220 Cb -0.15 -1.32 -0.03 0.00 0.26 0.00 0.00 34.13 32.88 1h54 s GLU 220 CO -0.01 0.08 0.02 0.00 -0.54 0.00 0.00 175.26 174.81 1h54 s MET 221 N 0.47 3.00 0.09 4.30 0.23 0.26 -1.22 119.30 126.42 1h54 s MET 221 Ca -0.10 -0.42 0.05 0.00 -1.03 0.00 0.00 55.69 54.18 1h54 s MET 221 Cb -0.14 -2.81 -0.03 0.00 -1.53 0.00 0.00 34.83 30.32 1h54 s MET 221 CO 0.03 0.69 -0.12 1.03 -2.03 0.00 0.00 175.02 174.62 1h54 s ARG 222 N -1.06 0.87 0.19 3.16 3.00 -0.03 -3.11 118.95 121.97 1h54 s ARG 222 Ca 0.15 -1.11 0.04 0.00 0.00 0.00 0.00 55.73 54.81 1h54 s ARG 222 Cb -0.11 -0.69 -0.05 0.00 0.00 0.00 0.00 34.95 34.10 1h54 s ARG 222 CO 0.04 0.13 -0.05 -0.51 0.00 0.00 0.00 175.30 174.91 1h54 s LEU 223 N -2.23 2.36 -0.12 2.53 1.43 -1.26 -0.93 118.68 120.47 1h54 s LEU 223 Ca 0.04 -1.11 -0.04 0.00 -1.03 0.00 0.00 54.13 51.99 1h54 s LEU 223 Cb -0.06 -0.31 0.06 0.00 0.03 0.00 0.00 46.19 45.92 1h54 s LEU 223 CO 0.01 -0.42 0.19 -0.69 0.23 0.00 0.00 176.35 175.68 1h54 s VAL 224 N -3.38 -0.31 0.07 -1.59 1.01 -0.83 -4.97 120.40 110.40 1h54 s VAL 224 Ca 0.22 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 62.19 1h54 s VAL 224 Cb 0.04 -0.40 0.09 0.00 0.00 0.00 0.00 36.38 36.10 1h54 s VAL 224 CO 0.04 0.07 0.77 0.28 0.00 0.00 0.00 175.10 176.27 1h54 s THR 225 N 2.33 0.00 -1.13 3.92 -1.32 -1.26 0.94 115.64 119.12 1h54 s THR 225 Ca 0.03 -0.04 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 1h54 s THR 225 Cb -0.13 -1.05 0.51 0.00 -1.51 0.00 0.00 72.50 70.33 1h54 s THR 225 CO -0.08 0.00 1.43 -0.90 -2.21 0.00 0.00 174.62 172.87 1h54 n ASP 226 N -0.31 3.73 -4.92 8.08 3.85 -1.14 -4.96 116.55 120.88 1h54 n ASP 226 Ca -0.12 -2.23 -0.27 0.00 -0.71 0.00 0.00 54.79 51.47 1h54 n ASP 226 Cb 0.63 -0.41 0.01 0.00 -1.35 0.00 0.00 41.12 40.00 1h54 n ASP 226 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1h54 s LEU 227 N -1.42 3.48 -0.08 -2.12 1.43 -1.26 -4.96 118.68 113.76 1h54 s LEU 227 Ca 0.38 0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 54.04 1h54 s LEU 227 Cb 0.23 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1h54 s LEU 227 CO 0.21 -0.78 0.59 -0.75 0.23 0.00 0.00 176.35 175.86 1h54 s LYS 228 N -4.81 4.38 0.33 1.70 2.20 0.09 -4.81 119.74 118.81 1h54 s LYS 228 Ca 0.50 0.67 -0.28 0.00 -0.36 0.00 0.00 55.97 56.50 1h54 s LYS 228 Cb -0.10 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.70 1h54 s LYS 228 CO 0.44 0.15 1.20 1.21 -0.36 0.00 0.00 175.35 177.99 1h54 s ASN 229 N 0.57 6.88 0.04 1.43 2.47 -1.26 -0.06 114.94 125.01 1h54 s ASN 229 Ca 0.32 2.45 0.06 0.00 0.42 0.00 0.00 52.86 56.11 1h54 s ASN 229 Cb -0.17 -2.63 -0.02 0.00 -1.45 0.00 0.00 41.25 36.98 1h54 s ASN 229 CO 0.15 -0.43 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.23 1h54 s VAL 230 N -1.22 1.40 0.19 -5.21 1.01 0.18 -4.88 120.40 111.87 1h54 s VAL 230 Ca 0.49 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1h54 s VAL 230 Cb -0.35 -1.24 -0.08 0.00 0.00 0.00 0.00 36.38 34.71 1h54 s VAL 230 CO 0.45 0.10 1.21 0.00 0.00 0.00 0.00 175.10 176.86 1h54 s ALA 231 N -0.84 3.45 -0.07 5.51 0.00 -1.26 -3.95 121.76 124.60 1h54 s ALA 231 Ca 0.05 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 1h54 s ALA 231 Cb -0.08 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1h54 s ALA 231 CO 0.02 -0.39 0.21 -1.50 0.00 0.00 0.00 175.76 174.09 1h54 s ILE 232 N -0.09 0.00 0.24 0.00 2.07 -1.26 -4.98 121.20 117.18 1h54 s ILE 232 Ca 0.53 -0.04 -0.16 0.00 -1.41 0.00 0.00 60.65 59.57 1h54 s ILE 232 Cb -0.33 -0.31 -0.08 0.00 0.13 0.00 0.00 42.46 41.87 1h54 s ILE 232 CO 0.37 -0.02 0.67 0.42 -1.91 0.00 0.00 174.94 174.48 1h54 s THR 233 N 0.03 4.70 -0.01 4.00 -4.23 -1.26 -4.98 115.64 113.89 1h54 s THR 233 Ca -0.01 0.98 -0.30 0.00 -1.18 0.00 0.00 61.69 61.19 1h54 s THR 233 Cb -0.02 -3.72 -0.08 0.00 1.34 0.00 0.00 72.50 70.02 1h54 s THR 233 CO 0.00 0.05 1.91 -1.58 -0.54 0.00 0.00 174.62 174.46 1h54 s GLN 234 N -2.42 4.06 0.33 3.99 0.74 -1.26 -4.88 119.66 120.22 1h54 s GLN 234 Ca 0.46 2.45 0.07 0.00 0.05 0.00 0.00 55.36 58.39 1h54 s GLN 234 Cb -0.13 -4.14 0.59 0.00 1.10 0.00 0.00 33.01 30.43 1h54 s GLN 234 CO 0.19 -1.04 1.81 -1.00 -0.55 0.00 0.00 175.29 174.70 1h54 h PRO 235 N 10.76 0.31 -3.45 1.67 0.13 -1.95 -3.47 132.00 136.00 1h54 h PRO 235 Ca -0.46 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 1h54 h PRO 235 Cb 1.22 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 1h54 h PRO 235 CO 0.95 0.53 -0.03 -0.80 -0.23 0.00 0.00 178.00 178.42 1h54 s ASN 236 N -6.85 -0.16 0.00 1.44 0.01 -1.26 -5.01 114.94 103.11 1h54 s ASN 236 Ca -0.06 -0.73 0.25 0.00 -0.71 0.00 0.00 52.86 51.62 1h54 s ASN 236 Cb 0.14 0.60 1.29 0.00 0.41 0.00 0.00 41.25 43.69 1h54 s ASN 236 CO 0.76 -1.13 1.85 -0.62 -1.51 0.00 0.00 177.10 176.45 1h54 n GLU 237 N -0.37 0.39 -0.20 -0.60 -0.58 -1.26 -2.77 120.64 115.25 1h54 n GLU 237 Ca -0.05 0.05 0.06 0.00 -0.42 0.00 0.00 57.16 56.79 1h54 n GLU 237 Cb 0.62 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 30.14 1h54 n GLU 237 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1h54 n LYS 238 N -1.27 2.80 -3.71 3.49 5.02 -1.26 -4.88 118.16 118.35 1h54 n LYS 238 Ca 0.12 -2.17 -0.13 0.00 -2.02 0.00 0.00 58.31 54.12 1h54 n LYS 238 Cb 0.19 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 1h54 n LYS 238 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1h54 s GLU 239 N -1.55 0.52 0.06 1.97 2.12 -1.11 -0.01 118.70 120.70 1h54 s GLU 239 Ca 0.24 0.67 0.09 0.00 0.36 0.00 0.00 54.97 56.32 1h54 s GLU 239 Cb 0.16 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.74 1h54 s GLU 239 CO 0.10 -0.08 -0.24 0.14 -0.54 0.00 0.00 175.26 174.65 1h54 s VAL 240 N 0.42 1.91 0.11 3.70 -7.23 -0.63 -4.06 120.40 114.63 1h54 s VAL 240 Ca -0.01 -1.37 -0.10 0.00 -1.81 0.00 0.00 61.98 58.69 1h54 s VAL 240 Cb -0.04 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.24 1h54 s VAL 240 CO -0.02 0.23 0.23 0.28 -0.31 0.00 0.00 175.10 175.51 1h54 s THR 241 N -0.87 0.12 0.23 5.32 -1.32 -1.26 -1.28 115.64 116.59 1h54 s THR 241 Ca 0.10 -1.16 0.04 0.00 -1.21 0.00 0.00 61.69 59.46 1h54 s THR 241 Cb -0.09 -1.43 -0.05 0.00 -1.51 0.00 0.00 72.50 69.42 1h54 s THR 241 CO 0.03 -0.54 -0.03 0.42 -2.21 0.00 0.00 174.62 172.29 1h54 s THR 242 N -3.88 1.19 -0.04 5.08 -4.23 -0.71 -4.80 115.64 108.25 1h54 s THR 242 Ca 0.07 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1h54 s THR 242 Cb 0.04 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.60 1h54 s THR 242 CO -0.09 -0.37 0.08 0.00 -0.54 0.00 0.00 174.62 173.71 1h54 s ALA 243 N -3.32 -0.12 -0.04 3.99 0.00 -1.25 -3.50 121.76 117.52 1h54 s ALA 243 Ca 0.27 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1h54 s ALA 243 Cb 0.05 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1h54 s ALA 243 CO 0.08 -0.10 -0.04 0.71 0.00 0.00 0.00 175.76 176.41 1h54 s TYR 244 N 0.80 0.70 0.25 0.00 1.51 -0.38 0.49 117.35 120.72 1h54 s TYR 244 Ca -0.06 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 1h54 s TYR 244 Cb -0.09 -0.61 -0.05 0.00 -0.11 0.00 0.00 41.96 41.10 1h54 s TYR 244 CO -0.03 -0.16 0.01 -0.08 -1.11 0.00 0.00 175.55 174.17 1h54 s THR 245 N 0.79 1.06 -0.27 -0.71 -1.32 0.91 -0.63 115.64 115.46 1h54 s THR 245 Ca -0.10 -2.03 -0.24 0.00 -1.21 0.00 0.00 61.69 58.10 1h54 s THR 245 Cb -0.13 -2.42 0.09 0.00 -1.51 0.00 0.00 72.50 68.52 1h54 s THR 245 CO 0.00 -0.27 0.80 -0.83 -2.21 0.00 0.00 174.62 172.11 1h54 s GLY 246 N -3.33 -0.44 -0.56 6.08 0.00 -0.67 -0.73 107.32 107.66 1h54 s GLY 246 Ca 0.30 2.25 -0.17 0.00 0.00 0.00 0.00 44.72 47.11 1h54 s GLY 246 CO 0.10 1.85 0.55 1.25 0.00 0.00 0.00 173.10 176.86 1h54 s LYS 247 N 0.49 3.02 -0.04 2.90 2.20 -1.26 -1.67 119.74 125.38 1h54 s LYS 247 Ca -0.00 -1.66 -0.26 0.00 -0.36 0.00 0.00 55.97 53.69 1h54 s LYS 247 Cb -0.05 -4.30 -0.03 0.00 -1.51 0.00 0.00 37.83 31.94 1h54 s LYS 247 CO -0.03 -1.37 0.81 -0.51 -0.36 0.00 0.00 175.35 173.88 1h54 s LEU 248 N 1.77 4.34 0.80 5.43 1.43 -0.31 -4.87 118.68 127.28 1h54 s LEU 248 Ca 0.05 1.37 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 1h54 s LEU 248 Cb -0.28 -3.27 0.07 0.00 0.03 0.00 0.00 46.19 42.74 1h54 s LEU 248 CO 0.03 -0.16 1.12 0.00 0.23 0.00 0.00 176.35 177.57 1h54 s ALA 249 N 0.84 2.38 0.26 4.21 0.00 -1.26 -2.01 121.76 126.17 1h54 s ALA 249 Ca 0.43 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.68 1h54 s ALA 249 Cb -0.19 -3.04 -0.13 0.00 0.00 0.00 0.00 23.12 19.76 1h54 s ALA 249 CO 0.22 -1.70 1.49 -2.30 0.00 0.00 0.00 175.76 173.47 1h54 n PRO 250 N -3.38 2.30 -0.88 0.00 -0.02 -1.26 -1.38 135.00 130.38 1h54 n PRO 250 Ca 0.07 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1h54 n PRO 250 Cb 0.58 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1h54 n PRO 250 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1h54 n GLN 251 N 2.16 -0.73 -2.94 -0.52 1.13 0.17 -4.99 117.38 111.66 1h54 n GLN 251 Ca 0.11 0.18 -0.31 0.00 -1.94 0.00 0.00 57.00 55.04 1h54 n GLN 251 Cb 0.33 -3.99 -0.04 0.00 0.11 0.00 0.00 30.24 26.65 1h54 n GLN 251 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1h54 s ALA 252 N -1.72 3.34 0.24 -1.58 0.00 -0.48 -4.81 121.76 116.76 1h54 s ALA 252 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 51.91 1h54 s ALA 252 Cb 0.00 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 1h54 s ALA 252 CO 0.00 0.10 -0.11 -1.12 0.00 0.00 0.00 175.76 174.63 1h54 s SER 253 N -2.88 2.71 0.08 0.00 0.01 -1.26 -1.55 113.70 110.81 1h54 s SER 253 Ca 0.52 -1.10 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 1h54 s SER 253 Cb -0.10 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.98 1h54 s SER 253 CO 0.27 -0.24 0.28 0.00 0.41 0.00 0.00 173.24 173.96 1h54 s ALA 254 N -2.97 -0.55 0.09 1.44 0.00 0.15 -4.99 121.76 114.92 1h54 s ALA 254 Ca 0.26 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 1h54 s ALA 254 Cb 0.01 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.62 1h54 s ALA 254 CO 0.10 -0.50 0.26 -1.83 0.00 0.00 0.00 175.76 173.78 1h54 s GLU 255 N -3.36 0.89 -0.12 0.00 -1.05 -1.26 0.14 118.70 113.94 1h54 s GLU 255 Ca 0.01 -0.80 -0.10 0.00 -0.15 0.00 0.00 54.97 53.93 1h54 s GLU 255 Cb 0.02 0.37 0.03 0.00 -0.44 0.00 0.00 34.13 34.12 1h54 s GLU 255 CO -0.08 -0.30 0.30 -1.17 0.95 0.00 0.00 175.26 174.96 1h54 s LEU 256 N -2.67 0.78 -0.06 1.83 0.20 -0.25 -2.88 118.68 115.63 1h54 s LEU 256 Ca 0.02 0.62 0.03 0.00 0.69 0.00 0.00 54.13 55.48 1h54 s LEU 256 Cb 0.03 1.03 -0.03 0.00 -0.43 0.00 0.00 46.19 46.79 1h54 s LEU 256 CO -0.10 -0.11 -0.12 -1.61 -0.29 0.00 0.00 176.35 174.12 1h54 s GLU 257 N 0.28 2.60 -0.25 1.98 2.02 0.27 -0.86 118.70 124.74 1h54 s GLU 257 Ca -0.01 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.34 1h54 s GLU 257 Cb -0.03 -2.44 0.07 0.00 0.10 0.00 0.00 34.13 31.82 1h54 s GLU 257 CO -0.01 0.62 -0.04 0.21 0.02 0.00 0.00 175.26 176.06 1h54 s LYS 258 N -0.71 1.61 -0.30 1.61 2.20 0.79 -1.97 119.74 122.97 1h54 s LYS 258 Ca 0.11 -1.13 -0.12 0.00 -0.36 0.00 0.00 55.97 54.47 1h54 s LYS 258 Cb -0.11 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 1h54 s LYS 258 CO 0.01 -0.66 0.23 1.03 -0.36 0.00 0.00 175.35 175.60 1h54 s ARG 259 N 1.33 3.79 -0.16 4.03 3.00 -0.11 -1.69 118.95 129.14 1h54 s ARG 259 Ca -0.03 -0.41 0.01 0.00 0.00 0.00 0.00 55.73 55.29 1h54 s ARG 259 Cb -0.19 -3.72 0.00 0.00 0.00 0.00 0.00 34.95 31.05 1h54 s ARG 259 CO -0.08 -0.29 -0.17 0.08 0.00 0.00 0.00 175.30 174.85 1h54 s VAL 260 N 1.78 2.50 -0.15 3.52 1.01 -0.01 -0.85 120.40 128.20 1h54 s VAL 260 Ca 0.07 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1h54 s VAL 260 Cb -0.16 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1h54 s VAL 260 CO 0.11 0.52 0.23 -0.63 0.00 0.00 0.00 175.10 175.33 1h54 s ILE 261 N 0.88 5.35 -0.18 2.22 -1.09 -0.36 -1.12 121.20 126.90 1h54 s ILE 261 Ca -0.04 0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.79 1h54 s ILE 261 Cb -0.15 -3.55 0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1h54 s ILE 261 CO -0.02 0.46 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.36 1h54 s VAL 262 N 0.02 1.57 0.20 2.92 1.01 0.97 -1.79 120.40 125.30 1h54 s VAL 262 Ca 0.14 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.39 1h54 s VAL 262 Cb -0.13 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1h54 s VAL 262 CO 0.03 0.27 -0.21 0.68 0.00 0.00 0.00 175.10 175.86 1h54 s VAL 263 N 1.45 2.21 0.14 2.92 -7.23 -0.43 -4.51 120.40 114.94 1h54 s VAL 263 Ca 0.01 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 1h54 s VAL 263 Cb -0.15 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1h54 s VAL 263 CO -0.09 -0.25 -0.02 0.42 -0.31 0.00 0.00 175.10 174.85 1h54 s THR 264 N -2.00 0.65 -0.40 5.32 -4.23 -1.26 -0.89 115.64 112.83 1h54 s THR 264 Ca 0.21 -1.96 0.20 0.00 -1.18 0.00 0.00 61.69 58.97 1h54 s THR 264 Cb -0.06 -1.92 0.21 0.00 1.34 0.00 0.00 72.50 72.06 1h54 s THR 264 CO 0.10 -0.65 1.62 -1.54 -0.54 0.00 0.00 174.62 173.61 1h54 n SER 265 N -0.14 0.53 0.00 3.99 3.41 -0.05 -1.94 113.62 119.42 1h54 n SER 265 Ca -0.09 0.69 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 1h54 n SER 265 Cb 0.62 -0.78 0.54 0.00 -0.26 0.00 0.00 64.21 64.33 1h54 n SER 265 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1h54 n ARG 266 N -2.16 0.15 0.00 4.33 1.85 -1.26 -3.17 116.66 116.40 1h54 n ARG 266 Ca 0.00 0.08 0.02 0.00 -1.00 0.00 0.00 57.85 56.96 1h54 n ARG 266 Cb 0.11 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.01 1h54 n ARG 266 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1h54 n ASP 267 N -1.40 0.64 -3.91 2.89 8.00 -0.82 -4.99 116.55 116.96 1h54 n ASP 267 Ca 0.08 -0.82 -0.15 0.00 0.71 0.00 0.00 54.79 54.61 1h54 n ASP 267 Cb 0.24 0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 41.82 1h54 n ASP 267 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1h54 s TYR 268 N -1.04 0.30 -0.51 1.24 1.51 -1.19 -5.06 117.35 112.60 1h54 s TYR 268 Ca 0.03 -0.05 0.25 0.00 -1.01 0.00 0.00 57.07 56.30 1h54 s TYR 268 Cb 0.04 -0.23 0.68 0.00 -0.11 0.00 0.00 41.96 42.34 1h54 s TYR 268 CO 0.14 -0.03 1.72 -0.44 -1.11 0.00 0.00 175.55 175.83 1h54 h ASP 269 N 6.29 0.00 -5.32 2.29 3.32 -1.93 -3.41 116.42 117.65 1h54 h ASP 269 Ca -0.29 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.61 1h54 h ASP 269 Cb 1.19 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 1h54 h ASP 269 CO 0.50 0.00 -0.65 0.42 -1.72 0.00 0.00 179.24 177.79 1h54 s THR 270 N -3.22 0.16 0.23 0.35 -4.23 -1.26 -5.03 115.64 102.64 1h54 s THR 270 Ca 0.08 -1.82 -0.08 0.00 -1.18 0.00 0.00 61.69 58.69 1h54 s THR 270 Cb 0.09 -1.75 0.20 0.00 1.34 0.00 0.00 72.50 72.37 1h54 s THR 270 CO 0.60 -0.74 1.86 -0.61 -0.54 0.00 0.00 174.62 175.19 1h54 h GLN 271 N 3.00 1.20 0.02 3.99 4.15 -1.98 0.11 115.11 125.60 1h54 h GLN 271 Ca -0.34 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 58.95 1h54 h GLN 271 Cb 1.17 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.62 1h54 h GLN 271 CO 0.62 0.86 -0.01 1.49 -1.93 0.00 0.00 178.83 179.86 1h54 h GLU 272 N 1.21 -0.03 -0.34 1.69 4.81 -1.98 0.94 114.58 120.87 1h54 h GLU 272 Ca 0.31 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.44 1h54 h GLU 272 Cb -0.01 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1h54 h GLU 272 CO -0.05 0.08 -0.21 0.66 -0.73 0.00 0.00 179.01 178.75 1h54 h SER 273 N -0.13 0.67 -0.28 1.04 4.64 -1.92 -0.66 113.55 116.90 1h54 h SER 273 Ca -0.00 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1h54 h SER 273 Cb 0.12 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1h54 h SER 273 CO 0.01 0.87 0.12 0.25 -0.87 0.00 0.00 176.83 177.20 1h54 h LEU 274 N 0.58 0.39 -0.94 5.97 6.46 -0.81 -1.65 115.31 125.31 1h54 h LEU 274 Ca 0.09 -0.16 -0.05 0.00 -0.12 0.00 0.00 57.88 57.64 1h54 h LEU 274 Cb 0.68 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 1h54 h LEU 274 CO 0.05 0.44 0.24 0.74 -0.62 0.00 0.00 178.44 179.29 1h54 h THR 275 N 0.31 1.24 -0.28 1.05 2.02 -0.60 -2.03 112.91 114.62 1h54 h THR 275 Ca 0.09 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1h54 h THR 275 Cb 0.17 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1h54 h THR 275 CO -0.01 0.31 0.11 0.00 0.37 0.00 0.00 175.52 176.31 1h54 h ALA 276 N 1.27 0.36 -0.93 6.16 0.00 -0.86 -2.65 119.26 122.61 1h54 h ALA 276 Ca 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1h54 h ALA 276 Cb 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1h54 h ALA 276 CO -0.01 -0.05 0.54 0.00 0.00 0.00 0.00 179.25 179.73 1h54 h ALA 277 N 0.96 1.18 -0.65 0.00 0.00 -1.13 -1.00 119.26 118.62 1h54 h ALA 277 Ca 0.09 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1h54 h ALA 277 Cb 0.17 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 1h54 h ALA 277 CO -0.01 0.65 0.30 1.98 0.00 0.00 0.00 179.25 182.17 1h54 h MET 278 N 1.28 0.50 -0.14 0.00 -1.53 -1.11 0.21 114.93 114.14 1h54 h MET 278 Ca 0.33 -0.03 -0.08 0.00 -3.44 0.00 0.00 59.70 56.48 1h54 h MET 278 Cb -0.03 -0.11 -0.00 0.00 -0.55 0.00 0.00 31.60 30.91 1h54 h MET 278 CO -0.06 0.33 -0.23 0.45 0.14 0.00 0.00 176.91 177.54 1h54 h HIS 279 N 0.52 0.51 -0.60 1.39 3.86 -1.10 -2.71 115.15 117.03 1h54 h HIS 279 Ca 0.32 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1h54 h HIS 279 Cb 0.35 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1h54 h HIS 279 CO -0.13 0.86 0.30 1.96 0.86 0.00 0.00 177.93 181.77 1h54 h GLN 280 N 0.02 0.85 -0.29 2.45 4.20 -0.83 -0.71 115.11 120.80 1h54 h GLN 280 Ca 0.01 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 1h54 h GLN 280 Cb 0.81 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1h54 h GLN 280 CO 0.05 0.68 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.65 1h54 h LEU 281 N 0.81 0.50 -0.50 1.46 3.38 -1.03 -1.66 115.31 118.27 1h54 h LEU 281 Ca 0.21 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1h54 h LEU 281 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1h54 h LEU 281 CO -0.03 0.70 -0.18 0.28 0.09 0.00 0.00 178.44 179.30 1h54 h SER 282 N 0.46 1.03 -0.71 -0.43 0.02 -1.11 -1.38 113.55 111.43 1h54 h SER 282 Ca 0.08 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1h54 h SER 282 Cb 0.58 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1h54 h SER 282 CO 0.04 1.18 0.28 0.44 -1.14 0.00 0.00 176.83 177.63 1h54 h ASP 283 N 0.88 0.99 -0.01 3.07 3.32 -0.87 -1.78 116.42 122.02 1h54 h ASP 283 Ca 0.12 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1h54 h ASP 283 Cb 0.76 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1h54 h ASP 283 CO 0.06 0.89 0.01 0.50 -1.72 0.00 0.00 179.24 178.98 1h54 h LYS 284 N 1.02 0.02 -0.23 3.56 3.64 -1.05 -2.99 116.57 120.54 1h54 h LYS 284 Ca 0.24 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1h54 h LYS 284 Cb 0.22 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1h54 h LYS 284 CO -0.02 0.06 -0.14 0.28 -2.27 0.00 0.00 179.45 177.36 1h54 h VAL 285 N -0.03 1.22 0.00 2.00 2.07 -1.11 -2.23 116.25 118.17 1h54 h VAL 285 Ca 0.00 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1h54 h VAL 285 Cb 0.05 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1h54 h VAL 285 CO -0.00 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1h54 n ALA 286 N -2.48 1.30 0.71 1.67 0.00 -0.68 -0.62 120.51 120.40 1h54 n ALA 286 Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1h54 n ALA 286 Cb 0.31 -1.20 0.26 0.00 0.00 0.00 0.00 19.45 18.82 1h54 n ALA 286 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1h54 n GLN 287 N -1.79 0.20 -3.99 0.00 1.13 -0.84 -4.89 117.38 107.20 1h54 n GLN 287 Ca 0.01 0.08 -0.34 0.00 -1.94 0.00 0.00 57.00 54.81 1h54 n GLN 287 Cb 0.09 -1.65 -0.06 0.00 0.11 0.00 0.00 30.24 28.74 1h54 n GLN 287 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1h54 s SER 288 N -3.90 6.07 0.61 1.08 0.01 0.21 -5.11 113.70 112.67 1h54 s SER 288 Ca 0.08 0.28 -0.09 0.00 1.31 0.00 0.00 55.95 57.53 1h54 s SER 288 Cb 0.15 -1.85 -0.01 0.00 0.21 0.00 0.00 66.02 64.51 1h54 s SER 288 CO 0.68 0.29 0.98 -0.94 0.41 0.00 0.00 173.24 174.67 1h54 s SER 289 N -1.71 5.89 0.20 2.44 1.04 -1.26 -4.89 113.70 115.42 1h54 s SER 289 Ca 0.24 1.12 -0.11 0.00 0.48 0.00 0.00 55.95 57.68 1h54 s SER 289 Cb -0.12 -2.13 0.21 0.00 0.10 0.00 0.00 66.02 64.07 1h54 s SER 289 CO 0.14 -0.99 1.80 0.22 0.98 0.00 0.00 173.24 175.40 1h54 h TYR 290 N -0.29 0.60 -0.64 5.02 3.20 -1.99 -0.96 116.97 121.91 1h54 h TYR 290 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1h54 h TYR 290 Cb 1.22 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 1h54 h TYR 290 CO 0.57 0.29 0.42 0.93 -1.64 0.00 0.00 178.16 178.72 1h54 h GLU 291 N 0.62 0.85 -0.02 1.82 3.07 -1.98 0.73 114.58 119.66 1h54 h GLU 291 Ca 0.27 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.10 1h54 h GLU 291 Cb 0.17 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1h54 h GLU 291 CO -0.18 0.58 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.46 1h54 h ASP 292 N 0.87 -0.31 -0.30 1.42 3.45 -1.69 0.26 116.42 120.12 1h54 h ASP 292 Ca 0.23 0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.72 1h54 h ASP 292 Cb -0.08 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 1h54 h ASP 292 CO -0.05 -0.15 0.10 -0.07 -1.57 0.00 0.00 179.24 177.50 1h54 h LEU 293 N -0.17 0.42 -0.13 1.55 3.38 -0.92 -2.67 115.31 116.77 1h54 h LEU 293 Ca 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1h54 h LEU 293 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1h54 h LEU 293 CO -0.12 0.50 0.04 0.25 0.09 0.00 0.00 178.44 179.20 1h54 h LEU 294 N 0.32 0.19 -1.25 1.67 5.85 -0.73 -2.63 115.31 118.73 1h54 h LEU 294 Ca 0.10 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1h54 h LEU 294 Cb 0.22 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1h54 h LEU 294 CO -0.00 0.34 0.49 0.78 -0.34 0.00 0.00 178.44 179.71 1h54 h ASN 295 N 0.03 0.86 0.08 1.25 2.35 -0.96 0.18 115.58 119.37 1h54 h ASN 295 Ca 0.04 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1h54 h ASN 295 Cb 0.22 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1h54 h ASN 295 CO -0.00 0.63 -0.23 0.00 -1.65 0.00 0.00 177.43 176.18 1h54 h ALA 296 N 1.52 1.32 0.20 -0.83 0.00 -1.39 -0.48 119.26 119.60 1h54 h ALA 296 Ca 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1h54 h ALA 296 Cb -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1h54 h ALA 296 CO -0.06 0.46 -0.10 1.25 0.00 0.00 0.00 179.25 180.81 1h54 h HIS 297 N 0.25 -0.25 -0.47 0.00 -0.00 -0.79 -3.17 115.15 110.72 1h54 h HIS 297 Ca 0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1h54 h HIS 297 Cb 0.55 0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.02 1h54 h HIS 297 CO 0.01 0.15 0.27 1.79 -0.00 0.00 0.00 177.93 180.14 1h54 h THR 298 N -0.88 1.14 -0.88 6.26 1.35 -0.64 -2.07 112.91 117.20 1h54 h THR 298 Ca -0.03 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 1h54 h THR 298 Cb 0.51 0.50 -0.04 0.00 -1.73 0.00 0.00 68.15 67.39 1h54 h THR 298 CO 0.05 0.15 0.51 0.00 -0.25 0.00 0.00 175.52 175.98 1h54 h ALA 299 N 1.65 1.26 -0.27 6.62 0.00 -1.16 0.16 119.26 127.51 1h54 h ALA 299 Ca 0.17 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1h54 h ALA 299 Cb -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1h54 h ALA 299 CO -0.03 0.63 -0.43 0.82 0.00 0.00 0.00 179.25 180.24 1h54 h ILE 300 N 1.21 1.30 -0.66 0.00 2.04 -1.36 -2.03 117.51 118.01 1h54 h ILE 300 Ca 0.31 -1.62 -0.07 0.00 1.00 0.00 0.00 64.86 64.48 1h54 h ILE 300 Cb -0.03 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1h54 h ILE 300 CO -0.06 0.52 0.12 -0.50 0.00 0.00 0.00 178.15 178.24 1h54 h TRP 301 N 0.51 1.13 -0.93 1.37 4.06 -1.08 -1.64 115.95 119.37 1h54 h TRP 301 Ca 0.02 -0.14 0.02 0.00 2.06 0.00 0.00 58.89 60.85 1h54 h TRP 301 Cb 1.02 -0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 28.82 1h54 h TRP 301 CO 0.08 0.94 0.61 0.00 -3.56 0.00 0.00 178.44 176.51 1h54 h ALA 302 N 1.12 1.20 -0.58 1.49 0.00 -0.60 -1.23 119.26 120.66 1h54 h ALA 302 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1h54 h ALA 302 Cb 0.41 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1h54 h ALA 302 CO 0.01 0.53 0.31 1.96 0.00 0.00 0.00 179.25 182.07 1h54 h GLN 303 N 1.22 0.80 -0.57 0.00 4.20 -0.78 -0.64 115.11 119.34 1h54 h GLN 303 Ca 0.35 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1h54 h GLN 303 Cb -0.08 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 1h54 h GLN 303 CO -0.09 0.62 0.34 0.00 -0.67 0.00 0.00 178.83 179.02 1h54 h ARG 304 N 0.78 0.78 -0.53 1.46 3.08 -0.55 -2.48 114.38 116.92 1h54 h ARG 304 Ca 0.20 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 1h54 h ARG 304 Cb 0.05 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1h54 h ARG 304 CO -0.03 0.57 -0.02 -1.49 -1.07 0.00 0.00 179.97 177.93 1h54 h TRP 305 N 0.77 0.97 -0.95 3.04 -0.00 -0.99 -1.94 115.95 116.86 1h54 h TRP 305 Ca 0.20 -0.16 0.09 0.00 -0.00 0.00 0.00 58.89 59.03 1h54 h TRP 305 Cb -0.00 -0.26 -0.07 0.00 -0.00 0.00 0.00 29.16 28.83 1h54 h TRP 305 CO -0.02 0.89 0.60 1.49 -0.00 0.00 0.00 178.44 181.39 1h54 h GLU 306 N 0.83 0.99 0.00 0.49 4.57 -0.74 0.98 114.58 121.70 1h54 h GLU 306 Ca 0.15 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1h54 h GLU 306 Cb 0.52 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1h54 h GLU 306 CO 0.03 0.66 -0.60 -0.22 -1.18 0.00 0.00 179.01 177.69 1h54 h LYS 307 N 1.02 0.00 0.00 1.92 3.64 -1.14 -3.41 116.57 118.60 1h54 h LYS 307 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1h54 h LYS 307 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1h54 h LYS 307 CO -0.21 0.12 -0.17 -1.13 -2.27 0.00 0.00 179.45 175.79 1h54 n SER 308 N -2.95 0.00 -4.75 4.20 3.41 -0.76 -4.65 113.62 108.12 1h54 n SER 308 Ca 0.01 -1.34 -0.36 0.00 -0.26 0.00 0.00 58.87 56.92 1h54 n SER 308 Cb 0.61 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.53 1h54 n SER 308 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h54 s ASP 309 N -0.34 5.04 -0.31 4.04 2.15 0.31 -4.76 116.67 122.80 1h54 s ASP 309 Ca 0.00 2.46 0.02 0.00 0.43 0.00 0.00 52.55 55.46 1h54 s ASP 309 Cb 0.00 -2.60 0.08 0.00 -0.30 0.00 0.00 42.92 40.10 1h54 s ASP 309 CO 0.00 -1.70 0.00 -0.69 -0.17 0.00 0.00 175.17 172.61 1h54 s VAL 310 N -1.53 2.42 -0.28 1.11 1.01 -1.26 -4.15 120.40 117.71 1h54 s VAL 310 Ca 0.79 -1.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 1h54 s VAL 310 Cb -0.32 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1h54 s VAL 310 CO 0.35 -0.34 0.74 -0.69 0.00 0.00 0.00 175.10 175.15 1h54 s VAL 311 N 1.04 4.86 -0.16 2.92 1.01 0.38 -4.83 120.40 125.61 1h54 s VAL 311 Ca 0.01 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1h54 s VAL 311 Cb -0.20 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1h54 s VAL 311 CO -0.06 -0.14 -0.15 -0.63 0.00 0.00 0.00 175.10 174.12 1h54 s ILE 312 N 2.78 2.60 -0.13 2.22 1.01 -1.26 -0.38 121.20 128.05 1h54 s ILE 312 Ca 0.30 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 1h54 s ILE 312 Cb -0.15 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1h54 s ILE 312 CO 0.11 0.51 -0.11 -0.54 0.00 0.00 0.00 174.94 174.91 1h54 s LYS 313 N 0.97 3.35 0.00 2.79 -0.14 -0.34 -4.58 119.74 121.78 1h54 s LYS 313 Ca -0.02 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 1h54 s LYS 313 Cb -0.15 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 33.33 1h54 s LYS 313 CO -0.03 0.27 0.00 0.41 -0.76 0.00 0.00 175.35 175.25 1h54 n GLY 314 N 3.37 0.59 2.93 -3.33 0.00 -1.26 -0.23 105.19 107.25 1h54 n GLY 314 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1h54 n GLY 314 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h54 s ASP 315 N -2.52 -1.42 0.45 1.61 -1.08 -1.26 -4.70 116.67 107.76 1h54 s ASP 315 Ca 0.00 -1.38 0.13 0.00 -0.52 0.00 0.00 52.55 50.77 1h54 s ASP 315 Cb 0.00 1.88 1.02 0.00 -1.46 0.00 0.00 42.92 44.37 1h54 s ASP 315 CO 0.00 -0.10 2.04 0.44 0.52 0.00 0.00 175.17 178.07 1h54 h ASP 316 N 5.80 0.12 -0.99 -0.34 3.32 -1.95 -1.23 116.42 121.15 1h54 h ASP 316 Ca 0.06 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1h54 h ASP 316 Cb 1.13 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 1h54 h ASP 316 CO 0.05 0.19 0.65 -0.33 -1.72 0.00 0.00 179.24 178.08 1h54 h GLU 317 N 0.13 1.28 -0.01 3.56 5.08 -1.95 0.11 114.58 122.78 1h54 h GLU 317 Ca 0.03 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 1h54 h GLU 317 Cb 0.17 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1h54 h GLU 317 CO 0.01 0.85 -0.87 0.77 -1.00 0.00 0.00 179.01 178.76 1h54 h SER 318 N 1.32 0.34 -0.03 1.42 0.02 -1.76 -2.47 113.55 112.38 1h54 h SER 318 Ca 0.37 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1h54 h SER 318 Cb -0.12 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 1h54 h SER 318 CO -0.09 1.06 0.01 1.56 -1.14 0.00 0.00 176.83 178.23 1h54 h GLN 319 N 0.15 0.05 -0.98 3.45 1.08 -0.53 -2.29 115.11 116.04 1h54 h GLN 319 Ca -0.05 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1h54 h GLN 319 Cb 1.49 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.87 1h54 h GLN 319 CO 0.14 0.24 0.64 0.37 -0.95 0.00 0.00 178.83 179.27 1h54 h GLN 320 N -0.16 1.30 0.65 1.46 4.15 -0.87 -2.45 115.11 119.21 1h54 h GLN 320 Ca 0.01 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 1h54 h GLN 320 Cb 0.21 -0.29 0.01 0.00 0.21 0.00 0.00 27.48 27.62 1h54 h GLN 320 CO -0.00 0.87 -0.31 0.78 -1.93 0.00 0.00 178.83 178.24 1h54 h GLY 321 N 1.34 -0.92 1.16 2.39 0.00 -1.22 -0.67 103.07 105.16 1h54 h GLY 321 Ca 0.36 0.34 -0.00 0.00 0.00 0.00 0.00 47.33 48.03 1h54 h GLY 321 CO -0.08 -0.33 0.52 1.19 0.00 0.00 0.00 176.54 177.84 1h54 h ILE 322 N -0.88 1.22 -0.21 2.60 6.09 -1.36 -1.75 117.51 123.23 1h54 h ILE 322 Ca -0.09 -0.46 -0.13 0.00 -1.37 0.00 0.00 64.86 62.81 1h54 h ILE 322 Cb 0.67 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 37.99 1h54 h ILE 322 CO 0.15 0.23 -0.40 0.03 -3.07 0.00 0.00 178.15 175.08 1h54 h ARG 323 N 1.14 0.48 -0.42 2.19 3.08 -1.36 -2.30 114.38 117.18 1h54 h ARG 323 Ca 0.30 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1h54 h ARG 323 Cb -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1h54 h ARG 323 CO -0.06 0.80 0.06 0.35 -1.07 0.00 0.00 179.97 180.06 1h54 h PHE 324 N 0.40 0.74 0.52 3.04 -0.00 -0.57 -0.56 116.94 120.51 1h54 h PHE 324 Ca 0.04 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.97 57.88 1h54 h PHE 324 Cb 0.88 -0.20 -0.01 0.00 -0.00 0.00 0.00 35.95 36.61 1h54 h PHE 324 CO 0.03 0.72 -0.38 -0.91 -0.00 0.00 0.00 178.31 177.77 1h54 h ASN 325 N 0.55 -0.97 -0.38 0.41 2.35 -1.18 -1.20 115.58 115.15 1h54 h ASN 325 Ca 0.13 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1h54 h ASN 325 Cb 0.38 0.30 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1h54 h ASN 325 CO 0.01 -0.56 0.19 -0.07 -1.65 0.00 0.00 177.43 175.35 1h54 h LEU 326 N -0.87 0.53 0.15 1.61 3.38 -1.41 0.17 115.31 118.87 1h54 h LEU 326 Ca -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1h54 h LEU 326 Cb 0.73 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1h54 h LEU 326 CO 0.02 0.46 -0.07 0.15 0.09 0.00 0.00 178.44 179.09 1h54 h PHE 327 N 0.59 -0.19 -0.06 1.13 3.57 -0.84 -1.53 116.94 119.62 1h54 h PHE 327 Ca 0.15 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.51 1h54 h PHE 327 Cb 0.08 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1h54 h PHE 327 CO 0.00 0.04 -0.59 1.96 -2.23 0.00 0.00 178.31 177.50 1h54 h GLN 328 N -0.40 0.18 0.24 1.11 1.08 -1.00 -1.13 115.11 115.21 1h54 h GLN 328 Ca -0.02 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1h54 h GLN 328 Cb 0.31 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1h54 h GLN 328 CO 0.03 0.72 -0.11 1.25 -0.95 0.00 0.00 178.83 179.77 1h54 h LEU 329 N 0.14 -0.27 -1.01 1.46 6.46 -0.60 -1.77 115.31 119.72 1h54 h LEU 329 Ca -0.00 -0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.60 1h54 h LEU 329 Cb 1.08 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1h54 h LEU 329 CO 0.09 -0.12 -0.47 -0.26 -0.62 0.00 0.00 178.44 177.06 1h54 h PHE 330 N -0.41 0.07 0.00 1.25 0.04 -1.27 -0.69 116.94 115.92 1h54 h PHE 330 Ca -0.03 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 1h54 h PHE 330 Cb 0.31 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1h54 h PHE 330 CO -0.04 0.51 -0.28 0.77 -0.60 0.00 0.00 178.31 178.68 1h54 h SER 331 N 0.05 0.00 0.00 2.17 0.02 -1.03 -3.10 113.55 111.66 1h54 h SER 331 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1h54 h SER 331 Cb 0.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1h54 h SER 331 CO 0.06 0.28 -0.19 0.74 -1.14 0.00 0.00 176.83 176.58 1h54 h THR 332 N 0.00 1.62 -2.97 -2.27 2.02 -0.84 0.11 112.91 110.59 1h54 h THR 332 Ca -0.00 -2.29 -0.20 0.00 0.77 0.00 0.00 66.41 64.68 1h54 h THR 332 Cb 0.50 3.13 -0.31 0.00 -1.74 0.00 0.00 68.15 69.74 1h54 h THR 332 CO 0.04 0.55 -0.50 -0.47 0.37 0.00 0.00 175.52 175.50 1h54 s TYR 333 N -2.23 -0.36 -0.06 3.16 5.04 -0.31 -3.90 117.35 118.69 1h54 s TYR 333 Ca -0.20 0.85 0.15 0.00 -2.44 0.00 0.00 57.07 55.42 1h54 s TYR 333 Cb -0.02 0.01 0.28 0.00 0.35 0.00 0.00 41.96 42.59 1h54 s TYR 333 CO 0.66 -0.27 1.13 0.98 -1.34 0.00 0.00 175.55 176.70 1h54 n TYR 334 N 4.63 0.00 -1.23 4.97 9.36 -1.25 -4.12 117.16 129.52 1h54 n TYR 334 Ca -0.18 -0.63 -0.08 0.00 3.32 0.00 0.00 57.90 60.33 1h54 n TYR 334 Cb 0.52 -0.14 -0.03 0.00 -0.63 0.00 0.00 39.34 39.05 1h54 n TYR 334 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1h54 n GLY 335 N -0.25 0.86 0.24 2.98 0.00 -1.26 -4.88 105.19 102.87 1h54 n GLY 335 Ca 0.08 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1h54 n GLY 335 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h54 h GLU 336 N 0.13 0.00 -4.39 1.61 5.08 -1.97 -3.40 114.58 111.63 1h54 h GLU 336 Ca -0.16 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.58 1h54 h GLU 336 Cb 0.89 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.75 1h54 h GLU 336 CO 0.24 0.11 -0.78 0.34 -1.00 0.00 0.00 179.01 177.92 1h54 s ASP 337 N -6.00 4.07 0.25 1.42 -1.08 -1.26 -5.00 116.67 109.07 1h54 s ASP 337 Ca 0.02 -1.38 0.18 0.00 -0.52 0.00 0.00 52.55 50.84 1h54 s ASP 337 Cb 0.09 -1.26 0.93 0.00 -1.46 0.00 0.00 42.92 41.22 1h54 s ASP 337 CO 0.61 -0.27 1.54 0.00 0.52 0.00 0.00 175.17 177.57 1h54 n ALA 338 N 4.60 1.09 0.11 3.66 0.00 -1.26 -1.83 120.51 126.87 1h54 n ALA 338 Ca -0.09 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1h54 n ALA 338 Cb 0.43 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.63 1h54 n ALA 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h54 h ARG 339 N 0.00 0.00 -7.40 0.00 3.08 -1.97 -3.46 114.38 104.63 1h54 h ARG 339 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1h54 h ARG 339 Cb 0.03 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.18 1h54 h ARG 339 CO 0.00 0.11 0.26 -0.51 -1.07 0.00 0.00 179.97 178.76 1h54 s LEU 340 N -5.66 2.80 0.00 3.04 1.43 -0.76 -5.05 118.68 114.48 1h54 s LEU 340 Ca 0.00 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1h54 s LEU 340 Cb 0.09 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1h54 s LEU 340 CO 0.78 -1.89 0.00 -3.20 0.23 0.00 0.00 176.35 172.27 1h54 n ASN 341 N -3.10 0.00 -4.09 2.29 2.85 -1.26 -5.02 115.26 106.92 1h54 n ASN 341 Ca 0.10 -0.40 -0.33 0.00 -0.11 0.00 0.00 54.58 53.84 1h54 n ASN 341 Cb 0.60 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.48 1h54 n ASN 341 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1h54 s ILE 342 N -1.85 2.67 0.43 -1.44 1.01 -1.26 -4.91 121.20 115.85 1h54 s ILE 342 Ca 0.00 -1.93 -0.25 0.00 0.00 0.00 0.00 60.65 58.47 1h54 s ILE 342 Cb 0.00 -2.77 -0.08 0.00 0.01 0.00 0.00 42.46 39.62 1h54 s ILE 342 CO 0.00 -0.41 1.29 -0.83 0.00 0.00 0.00 174.94 174.99 1h54 s GLY 343 N 1.25 2.90 0.32 6.18 0.00 -1.25 -4.64 107.32 112.08 1h54 s GLY 343 Ca 0.03 1.20 0.09 0.00 0.00 0.00 0.00 44.72 46.04 1h54 s GLY 343 CO -0.05 1.76 1.73 -2.55 0.00 0.00 0.00 173.10 173.99 1h54 h PRO 344 N 2.47 0.56 -0.22 2.90 0.11 -1.85 0.22 132.00 136.18 1h54 h PRO 344 Ca -0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1h54 h PRO 344 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1h54 h PRO 344 CO 0.62 0.37 -0.01 1.63 -0.21 0.00 0.00 178.00 180.40 1h54 n LYS 345 N -4.89 2.52 0.00 1.05 5.02 -1.26 -1.02 118.16 119.58 1h54 n LYS 345 Ca 0.27 -2.82 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 1h54 n LYS 345 Cb 0.74 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1h54 n LYS 345 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h54 n GLY 346 N -0.74 2.59 2.22 0.72 0.00 0.06 -1.37 105.19 108.68 1h54 n GLY 346 Ca 0.21 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1h54 n GLY 346 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h54 n PHE 347 N 14.00 3.05 -0.03 1.61 0.99 -1.26 -4.45 117.46 131.37 1h54 n PHE 347 Ca 0.00 -2.69 0.00 0.00 -0.00 0.00 0.00 57.45 54.76 1h54 n PHE 347 Cb 0.00 -1.19 0.00 0.00 -1.00 0.00 0.00 39.48 37.29 1h54 n PHE 347 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1h54 n THR 348 N -0.94 0.20 -3.79 4.37 -2.24 -0.47 -2.99 114.28 108.42 1h54 n THR 348 Ca 0.59 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1h54 n THR 348 Cb 0.87 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 1h54 n THR 348 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h54 n GLY 349 N -0.10 0.70 0.06 3.38 0.00 -1.25 -4.28 105.19 103.70 1h54 n GLY 349 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 1h54 n GLY 349 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h54 n GLU 350 N -0.16 1.44 -1.62 1.61 1.02 -1.26 -4.81 120.64 116.86 1h54 n GLU 350 Ca 0.01 0.03 -0.51 0.00 -0.02 0.00 0.00 57.16 56.67 1h54 n GLU 350 Cb 0.11 -1.28 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 1h54 n GLU 350 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1h54 n LYS 351 N -2.61 1.39 0.00 3.49 4.81 -1.26 0.25 118.16 124.23 1h54 n LYS 351 Ca -0.20 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1h54 n LYS 351 Cb 0.81 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.68 1h54 n LYS 351 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1h54 n TYR 352 N 3.06 0.00 -0.95 5.64 0.53 -1.26 -4.38 117.16 119.81 1h54 n TYR 352 Ca 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.07 1h54 n TYR 352 Cb 0.21 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.52 1h54 n TYR 352 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1h54 n GLY 353 N -2.00 0.38 2.58 2.72 0.00 0.14 -3.36 105.19 105.65 1h54 n GLY 353 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1h54 n GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h54 n GLY 354 N -1.56 0.84 3.89 -0.02 0.00 -1.26 -0.78 105.19 106.30 1h54 n GLY 354 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1h54 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h54 s ALA 355 N -1.92 2.00 -0.10 4.61 0.00 -1.21 -3.80 121.76 121.34 1h54 s ALA 355 Ca 0.00 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.54 1h54 s ALA 355 Cb 0.00 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1h54 s ALA 355 CO 0.00 -2.62 0.71 0.99 0.00 0.00 0.00 175.76 174.84 1h54 s THR 356 N -3.78 5.02 0.35 0.00 2.01 -0.36 -4.04 115.64 114.84 1h54 s THR 356 Ca 0.74 1.43 0.04 0.00 0.31 0.00 0.00 61.69 64.20 1h54 s THR 356 Cb -0.04 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 1h54 s THR 356 CO 0.53 0.20 0.07 -0.31 -0.69 0.00 0.00 174.62 174.42 1h54 s TYR 357 N 1.15 1.94 -0.39 4.92 1.51 -1.26 -2.54 117.35 122.68 1h54 s TYR 357 Ca 0.36 -1.02 0.20 0.00 -1.01 0.00 0.00 57.07 55.61 1h54 s TYR 357 Cb -0.17 -1.28 0.99 0.00 -0.11 0.00 0.00 41.96 41.39 1h54 s TYR 357 CO 0.16 -0.03 1.61 -2.67 -1.11 0.00 0.00 175.55 173.51 1h54 n TRP 358 N -0.76 0.67 -0.32 2.71 4.27 -1.26 -2.45 117.44 120.30 1h54 n TRP 358 Ca -0.04 0.32 0.13 0.00 -3.89 0.00 0.00 57.50 54.02 1h54 n TRP 358 Cb 0.66 -1.01 0.31 0.00 -1.36 0.00 0.00 31.31 29.92 1h54 n TRP 358 CO 0.00 0.00 0.00 -0.44 -2.29 0.00 0.00 177.69 174.96 1h54 h ASP 359 N 0.00 0.53 0.59 -0.67 5.19 -1.95 -2.22 116.42 117.89 1h54 h ASP 359 Ca 0.00 0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1h54 h ASP 359 Cb 0.13 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1h54 h ASP 359 CO 0.00 0.12 -0.45 0.74 -3.12 0.00 0.00 179.24 176.53 1h54 h THR 360 N 0.55 0.00 0.00 0.35 2.02 -1.80 0.60 112.91 114.63 1h54 h THR 360 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.74 1h54 h THR 360 Cb 0.99 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1h54 h THR 360 CO -0.46 0.00 0.00 1.05 0.37 0.00 0.00 175.52 176.48 1h54 h GLU 361 N -1.00 0.00 0.07 6.66 9.09 -1.74 -1.40 114.58 126.26 1h54 h GLU 361 Ca -0.08 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.00 1h54 h GLU 361 Cb 0.83 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.90 1h54 h GLU 361 CO 0.03 0.00 -1.83 0.00 0.05 0.00 0.00 179.01 177.25 1h54 n ALA 362 N -1.91 0.91 -0.02 1.06 0.00 -0.86 -4.55 120.51 115.15 1h54 n ALA 362 Ca 0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 53.44 52.84 1h54 n ALA 362 Cb 0.32 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 1h54 n ALA 362 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h54 n PHE 363 N -3.81 0.00 0.04 0.00 3.01 0.18 -4.73 117.46 112.14 1h54 n PHE 363 Ca -0.34 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 57.92 1h54 n PHE 363 Cb 0.92 -0.20 -0.12 0.00 -0.01 0.00 0.00 39.48 40.08 1h54 n PHE 363 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1h54 h ALA 364 N 0.29 0.05 -0.70 4.37 0.00 -0.99 -3.36 119.26 118.92 1h54 h ALA 364 Ca -0.09 -0.65 0.15 0.00 0.00 0.00 0.00 54.91 54.32 1h54 h ALA 364 Cb 1.00 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 1h54 h ALA 364 CO 0.00 0.49 0.01 0.74 0.00 0.00 0.00 179.25 180.50 1h54 h PHE 365 N 0.05 -0.03 -0.82 0.00 -1.00 -1.53 -1.71 116.94 111.90 1h54 h PHE 365 Ca -0.12 0.05 0.13 0.00 2.81 0.00 0.00 57.97 60.84 1h54 h PHE 365 Cb 1.56 0.12 -0.09 0.00 3.61 0.00 0.00 35.95 41.16 1h54 h PHE 365 CO 0.14 -0.20 0.41 -1.35 -1.61 0.00 0.00 178.31 175.70 1h54 h PRO 366 N 0.12 0.60 -0.02 1.51 0.11 -1.85 -1.48 132.00 130.99 1h54 h PRO 366 Ca 0.38 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.38 1h54 h PRO 366 Cb 0.64 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1h54 h PRO 366 CO -0.60 0.40 -0.26 0.28 -0.21 0.00 0.00 178.00 177.61 1h54 h VAL 367 N 0.62 1.51 0.00 3.15 2.07 -1.52 -3.00 116.25 119.08 1h54 h VAL 367 Ca 0.43 -1.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.05 1h54 h VAL 367 Cb 0.57 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1h54 h VAL 367 CO -0.34 0.51 -0.23 1.88 0.02 0.00 0.00 177.57 179.42 1h54 h TYR 368 N -0.41 0.00 -0.26 1.57 -1.99 -1.25 -1.13 116.97 113.50 1h54 h TYR 368 Ca -0.03 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.56 1h54 h TYR 368 Cb 0.97 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.70 1h54 h TYR 368 CO 0.16 0.23 -0.42 -0.07 -0.00 0.00 0.00 178.16 178.06 1h54 h LEU 369 N 0.00 0.67 -0.07 3.88 3.38 -1.35 -1.95 115.31 119.87 1h54 h LEU 369 Ca -0.00 -0.31 -0.21 0.00 0.09 0.00 0.00 57.88 57.45 1h54 h LEU 369 Cb 0.49 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1h54 h LEU 369 CO 0.03 1.00 -1.00 1.23 0.09 0.00 0.00 178.44 179.79 1h54 h GLY 370 N 1.01 0.08 0.00 0.83 0.00 -1.15 -3.40 103.07 100.44 1h54 h GLY 370 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1h54 h GLY 370 CO 0.08 0.16 0.00 0.29 0.00 0.00 0.00 176.54 177.07 1h54 n ILE 371 N -3.45 0.19 -4.30 2.60 -5.35 -0.53 0.51 119.36 109.02 1h54 n ILE 371 Ca -0.02 -0.55 -0.16 0.00 -0.27 0.00 0.00 62.75 61.76 1h54 n ILE 371 Cb 0.91 0.98 -0.10 0.00 -1.74 0.00 0.00 39.64 39.69 1h54 n ILE 371 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1h54 s THR 372 N -0.19 0.94 0.25 7.28 -4.23 -0.73 -4.88 115.64 114.09 1h54 s THR 372 Ca 0.00 -2.02 -0.31 0.00 -1.18 0.00 0.00 61.69 58.18 1h54 s THR 372 Cb 0.00 -2.26 -0.14 0.00 1.34 0.00 0.00 72.50 71.44 1h54 s THR 372 CO 0.00 -0.38 1.29 -0.67 -0.54 0.00 0.00 174.62 174.32 1h54 n ASP 373 N -0.36 2.31 0.22 3.99 2.03 -1.26 -4.68 116.55 118.80 1h54 n ASP 373 Ca -0.06 1.16 0.14 0.00 0.52 0.00 0.00 54.79 56.55 1h54 n ASP 373 Cb 0.63 -1.38 0.73 0.00 -0.72 0.00 0.00 41.12 40.38 1h54 n ASP 373 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1h54 h PRO 374 N 3.49 0.00 0.00 -0.67 0.13 -1.89 -1.04 132.00 132.01 1h54 h PRO 374 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1h54 h PRO 374 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1h54 h PRO 374 CO 0.70 0.00 -0.08 0.87 -0.23 0.00 0.00 178.00 179.26 1h54 h LYS 375 N 0.00 0.00 0.20 0.86 1.57 -1.97 -1.90 116.57 115.33 1h54 h LYS 375 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1h54 h LYS 375 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1h54 h LYS 375 CO 0.00 0.08 -0.10 0.28 -0.57 0.00 0.00 179.45 179.15 1h54 h VAL 376 N 0.00 0.89 -0.45 0.50 2.07 -1.53 -2.20 116.25 115.53 1h54 h VAL 376 Ca -0.00 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1h54 h VAL 376 Cb 0.52 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1h54 h VAL 376 CO 0.01 0.16 -0.10 0.71 0.02 0.00 0.00 177.57 178.37 1h54 h THR 377 N -0.66 1.26 -0.68 2.57 1.35 -1.70 -2.16 112.91 112.88 1h54 h THR 377 Ca -0.03 -1.16 0.03 0.00 -0.55 0.00 0.00 66.41 64.70 1h54 h THR 377 Cb 0.47 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 67.88 1h54 h THR 377 CO 0.04 0.40 0.45 -0.09 -0.25 0.00 0.00 175.52 176.07 1h54 h ARG 378 N 0.72 0.80 -0.04 4.72 2.43 -1.35 -0.85 114.38 120.81 1h54 h ARG 378 Ca 0.12 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 1h54 h ARG 378 Cb 0.58 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1h54 h ARG 378 CO 0.04 0.53 -0.70 -0.97 -1.51 0.00 0.00 179.97 177.36 1h54 h ASN 379 N 0.83 0.26 0.46 -3.80 -0.73 -0.95 -2.39 115.58 109.26 1h54 h ASN 379 Ca 0.27 -0.17 -0.04 0.00 1.87 0.00 0.00 56.30 58.23 1h54 h ASN 379 Cb 0.04 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 1h54 h ASN 379 CO -0.07 0.88 -0.17 -0.07 -0.37 0.00 0.00 177.43 177.63 1h54 h LEU 380 N 0.15 0.00 -0.04 0.34 3.38 -0.56 0.47 115.31 119.05 1h54 h LEU 380 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1h54 h LEU 380 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1h54 h LEU 380 CO 0.11 0.17 -0.23 -0.07 0.09 0.00 0.00 178.44 178.51 1h54 h LEU 381 N 0.00 0.27 -1.75 1.67 3.38 -0.98 -3.19 115.31 114.71 1h54 h LEU 381 Ca -0.00 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 1h54 h LEU 381 Cb 0.44 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1h54 h LEU 381 CO 0.02 0.89 -0.13 0.24 0.09 0.00 0.00 178.44 179.56 1h54 h MET 382 N -0.34 0.00 -0.77 1.13 2.86 -0.92 -2.20 114.93 114.70 1h54 h MET 382 Ca -0.02 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.75 1h54 h MET 382 Cb 0.89 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.47 1h54 h MET 382 CO 0.05 0.13 0.36 -0.92 1.06 0.00 0.00 176.91 177.58 1h54 h TYR 383 N 0.00 0.62 -0.10 -0.22 3.20 -0.91 0.11 116.97 119.68 1h54 h TYR 383 Ca -0.00 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.71 1h54 h TYR 383 Cb 0.23 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.35 1h54 h TYR 383 CO 0.00 0.15 -0.67 0.00 -1.64 0.00 0.00 178.16 176.00 1h54 h ARG 384 N 0.55 0.64 -0.61 1.82 2.47 -1.49 -3.19 114.38 114.57 1h54 h ARG 384 Ca 0.41 -0.55 0.08 0.00 -1.26 0.00 0.00 59.98 58.65 1h54 h ARG 384 Cb 0.55 0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.93 1h54 h ARG 384 CO -0.35 1.17 0.28 -0.92 0.56 0.00 0.00 179.97 180.71 1h54 h TYR 385 N 0.30 0.50 0.00 3.04 3.20 -1.02 0.66 116.97 123.65 1h54 h TYR 385 Ca -0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1h54 h TYR 385 Cb 1.32 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1h54 h TYR 385 CO 0.11 0.19 0.00 1.63 -1.64 0.00 0.00 178.16 178.45 1h54 n LYS 386 N -4.91 0.06 -0.33 1.82 5.02 0.31 -2.17 118.16 117.96 1h54 n LYS 386 Ca 0.08 0.28 0.08 0.00 -2.02 0.00 0.00 58.31 56.73 1h54 n LYS 386 Cb 0.22 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.94 1h54 n LYS 386 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1h54 n GLN 387 N -1.42 2.17 -0.12 1.97 6.02 0.21 -4.67 117.38 121.53 1h54 n GLN 387 Ca 0.03 -2.79 0.01 0.00 -0.01 0.00 0.00 57.00 54.24 1h54 n GLN 387 Cb 0.10 -1.71 0.29 0.00 1.02 0.00 0.00 30.24 29.94 1h54 n GLN 387 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1h54 h LEU 388 N 1.02 0.71 -0.59 1.08 3.38 -1.26 -2.36 115.31 117.29 1h54 h LEU 388 Ca 0.02 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1h54 h LEU 388 Cb 1.28 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 1h54 h LEU 388 CO 0.14 0.57 0.26 0.44 0.09 0.00 0.00 178.44 179.94 1h54 h ASP 389 N 0.81 0.31 -0.01 -0.43 3.45 -1.84 -0.62 116.42 118.08 1h54 h ASP 389 Ca 0.21 0.06 -0.08 0.00 0.43 0.00 0.00 57.03 57.64 1h54 h ASP 389 Cb 0.01 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 1h54 h ASP 389 CO -0.04 0.20 -0.22 1.23 -1.57 0.00 0.00 179.24 178.84 1h54 h GLY 390 N 0.47 0.44 1.45 2.75 0.00 -1.67 -2.68 103.07 103.82 1h54 h GLY 390 Ca 0.29 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 1h54 h GLY 390 CO -0.25 0.31 -0.15 0.00 0.00 0.00 0.00 176.54 176.44 1h54 h ALA 391 N 1.40 1.06 -0.69 3.60 0.00 -0.74 -0.74 119.26 123.15 1h54 h ALA 391 Ca 0.06 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1h54 h ALA 391 Cb 0.60 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1h54 h ALA 391 CO 0.04 0.57 0.21 1.88 0.00 0.00 0.00 179.25 181.95 1h54 h TYR 392 N 0.59 1.12 -0.43 0.00 0.99 -0.93 -0.80 116.97 117.51 1h54 h TYR 392 Ca 0.10 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.66 1h54 h TYR 392 Cb 0.60 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 37.99 1h54 h TYR 392 CO 0.03 0.90 0.09 0.82 -0.00 0.00 0.00 178.16 180.00 1h54 h ILE 393 N 1.02 1.24 -0.73 -2.88 2.04 -1.12 -1.59 117.51 115.49 1h54 h ILE 393 Ca 0.22 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1h54 h ILE 393 Cb 0.31 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1h54 h ILE 393 CO -0.01 0.29 0.47 0.78 0.00 0.00 0.00 178.15 179.69 1h54 h ASN 394 N 0.57 0.80 -0.62 1.72 2.35 -0.90 -0.43 115.58 119.07 1h54 h ASN 394 Ca 0.13 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 1h54 h ASN 394 Cb 0.34 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1h54 h ASN 394 CO 0.00 0.56 0.03 0.00 -1.65 0.00 0.00 177.43 176.38 1h54 h ALA 395 N 1.29 0.87 -0.03 -0.83 0.00 -1.23 -2.72 119.26 116.61 1h54 h ALA 395 Ca 0.28 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1h54 h ALA 395 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1h54 h ALA 395 CO -0.09 0.67 -0.32 1.96 0.00 0.00 0.00 179.25 181.47 1h54 h GLN 396 N 0.99 0.05 0.00 0.00 4.20 -0.63 0.22 115.11 119.95 1h54 h GLN 396 Ca 0.18 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1h54 h GLN 396 Cb 0.53 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1h54 h GLN 396 CO 0.03 0.37 -0.00 0.93 -0.67 0.00 0.00 178.83 179.48 1h54 h GLU 397 N 0.05 0.00 -0.28 1.46 4.39 -0.77 -1.18 114.58 118.26 1h54 h GLU 397 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1h54 h GLU 397 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1h54 h GLU 397 CO 0.04 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.93 1h54 n GLN 398 N -3.09 2.85 -2.87 2.33 6.02 -0.66 -4.16 117.38 117.79 1h54 n GLN 398 Ca -0.01 -2.34 -0.19 0.00 -0.01 0.00 0.00 57.00 54.45 1h54 n GLN 398 Cb 0.19 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 29.99 1h54 n GLN 398 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h54 n GLY 399 N -0.01 -0.33 3.39 1.08 0.00 -0.44 -5.01 105.19 103.86 1h54 n GLY 399 Ca 0.15 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1h54 n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h54 s LEU 400 N -5.67 2.35 0.78 0.99 1.43 0.69 -4.98 118.68 114.27 1h54 s LEU 400 Ca 0.25 -0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1h54 s LEU 400 Cb -0.11 -1.18 0.14 0.00 0.03 0.00 0.00 46.19 45.06 1h54 s LEU 400 CO 0.30 0.16 1.08 -0.54 0.23 0.00 0.00 176.35 177.58 1h54 s LYS 401 N -2.22 1.49 2.31 1.70 1.02 -1.26 -3.32 119.74 119.46 1h54 s LYS 401 Ca 0.15 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.33 1h54 s LYS 401 Cb -0.09 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1h54 s LYS 401 CO 0.07 -1.66 0.00 0.41 -0.92 0.00 0.00 175.35 173.25 1h54 n GLY 402 N -3.08 -0.73 3.44 -3.33 0.00 -1.26 -3.91 105.19 96.32 1h54 n GLY 402 Ca 0.14 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 1h54 n GLY 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h54 s ALA 403 N -1.31 2.83 -0.36 4.61 0.00 -0.32 -4.35 121.76 122.86 1h54 s ALA 403 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1h54 s ALA 403 Cb 0.00 -1.41 0.10 0.00 0.00 0.00 0.00 23.12 21.81 1h54 s ALA 403 CO 0.00 0.22 0.10 -1.17 0.00 0.00 0.00 175.76 174.91 1h54 s LEU 404 N 0.37 4.87 0.36 0.00 2.96 -0.38 -4.52 118.68 122.34 1h54 s LEU 404 Ca -0.07 -2.07 -0.28 0.00 -0.22 0.00 0.00 54.13 51.49 1h54 s LEU 404 Cb -0.15 -1.70 -0.10 0.00 0.50 0.00 0.00 46.19 44.74 1h54 s LEU 404 CO 0.04 -0.43 1.34 -0.36 -1.32 0.00 0.00 176.35 175.63 1h54 s PHE 405 N 1.00 2.90 0.81 5.38 0.08 -1.26 -4.42 117.98 122.46 1h54 s PHE 405 Ca 0.09 1.36 -0.11 0.00 0.12 0.00 0.00 56.93 58.40 1h54 s PHE 405 Cb -0.20 -3.75 0.08 0.00 -0.57 0.00 0.00 43.02 38.58 1h54 s PHE 405 CO -0.06 -2.14 1.09 -1.25 -0.10 0.00 0.00 175.22 172.75 1h54 s PRO 406 N -1.95 1.95 0.02 0.24 0.04 -1.26 -4.79 135.00 129.25 1h54 s PRO 406 Ca 0.51 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 1h54 s PRO 406 Cb -0.41 -1.87 -0.29 0.00 0.04 0.00 0.00 34.50 31.97 1h54 s PRO 406 CO 0.54 -1.81 1.06 1.98 0.04 0.00 0.00 177.00 178.81 1h54 h MET 407 N -1.24 0.52 -4.30 4.56 4.05 -1.89 -3.45 114.93 113.17 1h54 h MET 407 Ca -0.46 -0.71 -0.41 0.00 -0.28 0.00 0.00 59.70 57.84 1h54 h MET 407 Cb 1.25 0.24 -0.32 0.00 -0.80 0.00 0.00 31.60 31.97 1h54 h MET 407 CO 0.53 1.31 -0.78 0.08 0.23 0.00 0.00 176.91 178.28 1h54 s VAL 408 N -2.90 0.66 0.04 -5.77 1.01 -1.26 -4.35 120.40 107.84 1h54 s VAL 408 Ca -0.11 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 1h54 s VAL 408 Cb 0.04 -0.63 0.09 0.00 0.00 0.00 0.00 36.38 35.89 1h54 s VAL 408 CO 0.90 0.23 0.88 0.28 0.00 0.00 0.00 175.10 177.38 1h54 s THR 409 N 0.51 0.00 0.00 3.92 -1.32 -1.05 -1.12 115.64 116.58 1h54 s THR 409 Ca -0.07 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 1h54 s THR 409 Cb -0.11 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.68 1h54 s THR 409 CO 0.01 0.00 0.00 0.49 -2.21 0.00 0.00 174.62 172.91 1h54 n PHE 410 N -0.30 0.00 -0.00 9.09 3.01 -1.26 -1.23 117.46 126.77 1h54 n PHE 410 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1h54 n PHE 410 Cb 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 1h54 n PHE 410 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1h54 n ASP 411 N -1.56 1.42 0.00 4.37 5.68 -1.26 -4.99 116.55 120.20 1h54 n ASP 411 Ca 0.00 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 1h54 n ASP 411 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1h54 n ASP 411 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h54 n GLY 412 N -0.21 2.06 3.78 6.12 0.00 -1.26 -4.72 105.19 110.97 1h54 n GLY 412 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1h54 n GLY 412 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h54 s ILE 413 N -2.11 4.36 0.64 -0.61 -1.09 -1.26 -3.90 121.20 117.22 1h54 s ILE 413 Ca 0.00 1.67 -0.18 0.00 -2.23 0.00 0.00 60.65 59.91 1h54 s ILE 413 Cb 0.00 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 1h54 s ILE 413 CO 0.00 0.39 1.17 1.21 -1.23 0.00 0.00 174.94 176.49 1h54 n GLU 414 N 1.23 1.03 0.00 2.79 4.07 -1.26 -4.50 120.64 123.99 1h54 n GLU 414 Ca -0.03 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.47 1h54 n GLU 414 Cb 0.49 -2.40 0.00 0.00 -0.06 0.00 0.00 31.44 29.47 1h54 n GLU 414 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1h54 s HIS 416 N -1.21 3.01 -0.50 0.00 5.04 -1.26 -4.24 115.29 116.12 1h54 s HIS 416 Ca 0.00 1.57 0.07 0.00 -1.54 0.00 0.00 55.06 55.16 1h54 s HIS 416 Cb 0.00 -3.30 0.37 0.00 0.04 0.00 0.00 32.58 29.69 1h54 s HIS 416 CO 0.00 -1.21 0.96 0.27 -2.34 0.00 0.00 174.74 172.42 1h54 n ASN 417 N -0.32 3.95 -3.62 9.88 6.94 -1.26 -4.47 115.26 126.35 1h54 n ASN 417 Ca 0.06 -3.56 -0.14 0.00 -0.02 0.00 0.00 54.58 50.92 1h54 n ASN 417 Cb 0.48 -0.54 -0.13 0.00 -2.36 0.00 0.00 39.78 37.23 1h54 n ASN 417 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1h54 s GLU 418 N -3.35 0.15 0.36 -3.83 2.02 -1.26 -4.95 118.70 107.84 1h54 s GLU 418 Ca 0.46 0.64 0.09 0.00 0.02 0.00 0.00 54.97 56.19 1h54 s GLU 418 Cb 0.33 -0.25 0.84 0.00 0.10 0.00 0.00 34.13 35.14 1h54 s GLU 418 CO -0.14 -0.36 1.86 0.11 0.02 0.00 0.00 175.26 176.75 1h54 h TRP 419 N 8.29 0.82 0.00 1.61 5.08 -1.97 0.68 115.95 130.47 1h54 h TRP 419 Ca -0.15 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.83 1h54 h TRP 419 Cb 1.12 -0.26 -0.00 0.00 -3.00 0.00 0.00 29.16 27.02 1h54 h TRP 419 CO 0.33 0.28 -0.11 0.93 -1.28 0.00 0.00 178.44 178.59 1h54 h GLU 420 N 0.67 0.00 0.00 0.12 3.07 -1.97 -2.46 114.58 114.02 1h54 h GLU 420 Ca 0.47 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.18 1h54 h GLU 420 Cb 0.79 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 1h54 h GLU 420 CO -0.22 0.11 -1.32 -0.89 -1.40 0.00 0.00 179.01 175.28 1h54 n ILE 421 N -3.52 1.30 -0.01 3.13 2.08 -0.18 -3.43 119.36 118.72 1h54 n ILE 421 Ca -0.02 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.20 1h54 n ILE 421 Cb 0.24 -1.99 -0.04 0.00 -0.75 0.00 0.00 39.64 37.11 1h54 n ILE 421 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1h54 h THR 422 N -0.73 0.27 0.06 1.39 2.02 0.19 -1.75 112.91 114.37 1h54 h THR 422 Ca -0.22 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.65 1h54 h THR 422 Cb 1.03 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1h54 h THR 422 CO -0.13 0.00 -1.69 -0.26 0.37 0.00 0.00 175.52 173.80 1h54 h PHE 423 N -0.39 0.23 0.00 3.16 0.05 -1.60 -3.43 116.94 114.96 1h54 h PHE 423 Ca 0.10 -0.17 0.00 0.00 3.82 0.00 0.00 57.97 61.73 1h54 h PHE 423 Cb 0.55 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.49 1h54 h PHE 423 CO -0.42 1.29 -1.91 0.39 -0.18 0.00 0.00 178.31 177.47 1h54 n GLU 424 N -3.27 0.61 -1.97 1.51 1.02 -1.08 -4.63 120.64 112.84 1h54 n GLU 424 Ca -0.19 -0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.35 1h54 n GLU 424 Cb 1.04 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1h54 n GLU 424 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1h54 n GLU 425 N -2.22 3.31 0.00 3.49 2.13 -0.66 -1.49 120.64 125.21 1h54 n GLU 425 Ca -0.03 -3.01 0.14 0.00 0.66 0.00 0.00 57.16 54.93 1h54 n GLU 425 Cb 0.55 -3.07 0.67 0.00 0.27 0.00 0.00 31.44 29.85 1h54 n GLU 425 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1h54 n ILE 426 N 4.09 0.00 0.27 6.31 -5.35 -1.26 -3.83 119.36 119.59 1h54 n ILE 426 Ca 0.49 -0.06 0.17 0.00 -0.27 0.00 0.00 62.75 63.08 1h54 n ILE 426 Cb 0.36 -0.15 0.91 0.00 -1.74 0.00 0.00 39.64 39.02 1h54 n ILE 426 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 1h54 h HIS 427 N 0.56 0.00 -0.89 4.28 2.07 -1.83 -1.69 115.15 117.65 1h54 h HIS 427 Ca 0.00 0.00 0.19 0.00 -2.85 0.00 0.00 60.37 57.71 1h54 h HIS 427 Cb 0.31 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.22 1h54 h HIS 427 CO 0.00 0.00 0.59 0.07 -3.07 0.00 0.00 177.93 175.52 1h54 h ARG 428 N 0.00 0.45 -0.90 5.12 0.11 -1.95 0.50 114.38 117.70 1h54 h ARG 428 Ca 0.03 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1h54 h ARG 428 Cb 0.21 -0.10 -0.04 0.00 1.11 0.00 0.00 29.97 31.15 1h54 h ARG 428 CO -0.00 0.30 0.55 -0.91 0.10 0.00 0.00 179.97 180.01 1h54 h ASN 429 N 0.46 1.08 -0.36 0.08 -0.26 -1.61 -0.43 115.58 114.54 1h54 h ASN 429 Ca 0.46 -0.06 -0.10 0.00 -0.56 0.00 0.00 56.30 56.05 1h54 h ASN 429 Cb 1.07 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 1h54 h ASN 429 CO -0.19 0.82 -0.12 1.23 -1.06 0.00 0.00 177.43 178.11 1h54 h GLY 430 N 1.24 0.87 1.29 2.83 0.00 -0.18 -2.32 103.07 106.80 1h54 h GLY 430 Ca 0.32 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1h54 h GLY 430 CO -0.06 0.62 -0.19 -0.55 0.00 0.00 0.00 176.54 176.36 1h54 h ASP 431 N 0.72 0.82 -0.35 0.19 3.32 -0.65 -1.12 116.42 119.36 1h54 h ASP 431 Ca 0.12 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1h54 h ASP 431 Cb 0.62 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1h54 h ASP 431 CO 0.04 1.00 0.19 0.40 -1.72 0.00 0.00 179.24 179.15 1h54 h ILE 432 N 0.72 1.14 -0.61 0.35 1.08 -0.90 -2.16 117.51 117.12 1h54 h ILE 432 Ca 0.10 -0.35 -0.09 0.00 -0.39 0.00 0.00 64.86 64.13 1h54 h ILE 432 Cb 0.71 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1h54 h ILE 432 CO 0.05 0.14 0.02 0.00 -0.69 0.00 0.00 178.15 177.67 1h54 h ALA 433 N 1.06 0.87 -0.32 1.87 0.00 -1.26 -2.95 119.26 118.52 1h54 h ALA 433 Ca 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1h54 h ALA 433 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1h54 h ALA 433 CO -0.02 0.67 0.06 0.35 0.00 0.00 0.00 179.25 180.31 1h54 h PHE 434 N 0.97 0.47 -0.58 0.00 3.04 -0.93 -2.14 116.94 117.77 1h54 h PHE 434 Ca 0.18 -0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.12 1h54 h PHE 434 Cb 0.53 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 1h54 h PHE 434 CO 0.04 0.43 0.38 0.00 -2.02 0.00 0.00 178.31 177.14 1h54 h ALA 435 N 1.61 1.67 0.18 2.41 0.00 -1.21 0.11 119.26 124.03 1h54 h ALA 435 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1h54 h ALA 435 Cb 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1h54 h ALA 435 CO -0.00 0.27 -0.09 0.82 0.00 0.00 0.00 179.25 180.26 1h54 h ILE 436 N 0.70 0.87 -0.31 0.00 1.08 -1.44 -0.72 117.51 117.69 1h54 h ILE 436 Ca 0.23 -0.22 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1h54 h ILE 436 Cb 0.04 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 1h54 h ILE 436 CO -0.06 0.05 0.13 0.22 -0.69 0.00 0.00 178.15 177.80 1h54 h TYR 437 N -0.35 0.23 -0.56 1.37 3.20 -1.31 -1.23 116.97 118.33 1h54 h TYR 437 Ca -0.02 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1h54 h TYR 437 Cb 0.27 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1h54 h TYR 437 CO -0.03 0.11 0.31 -0.97 -1.64 0.00 0.00 178.16 175.94 1h54 h ASN 438 N 0.27 0.48 -0.39 -2.11 -1.24 -0.66 0.35 115.58 112.29 1h54 h ASN 438 Ca 0.14 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.11 1h54 h ASN 438 Cb 0.09 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1h54 h ASN 438 CO -0.12 0.33 0.05 0.22 -1.29 0.00 0.00 177.43 176.62 1h54 h TYR 439 N 0.61 0.69 -0.17 0.67 5.03 -0.89 -1.87 116.97 121.04 1h54 h TYR 439 Ca 0.24 -0.10 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 1h54 h TYR 439 Cb 0.09 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.17 1h54 h TYR 439 CO -0.08 0.70 0.10 1.15 -1.32 0.00 0.00 178.16 178.71 1h54 h THR 440 N 0.49 1.08 -0.58 1.81 2.02 -0.76 -0.88 112.91 116.08 1h54 h THR 440 Ca 0.12 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1h54 h THR 440 Cb 0.39 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1h54 h THR 440 CO 0.01 0.07 0.32 -0.09 0.37 0.00 0.00 175.52 176.21 1h54 h ARG 441 N 0.19 0.80 -0.29 6.66 2.43 -0.92 0.16 114.38 123.42 1h54 h ARG 441 Ca 0.06 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1h54 h ARG 441 Cb 0.03 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1h54 h ARG 441 CO -0.01 0.61 -0.23 -0.92 -1.51 0.00 0.00 179.97 177.91 1h54 h TYR 442 N 0.78 0.78 0.00 2.20 5.03 -1.17 -3.34 116.97 121.26 1h54 h TYR 442 Ca 0.20 -0.22 -0.20 0.00 2.58 0.00 0.00 58.73 61.10 1h54 h TYR 442 Cb 0.03 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.11 1h54 h TYR 442 CO -0.01 0.94 -1.57 0.25 -1.32 0.00 0.00 178.16 176.44 1h54 n THR 443 N -4.32 1.23 -0.98 1.81 -2.24 -0.35 -4.69 114.28 104.73 1h54 n THR 443 Ca -0.04 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1h54 n THR 443 Cb 0.43 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1h54 n THR 443 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h54 n GLY 444 N 1.45 0.69 3.37 3.38 0.00 0.57 -4.86 105.19 109.79 1h54 n GLY 444 Ca -0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 1h54 n GLY 444 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h54 s ASP 445 N -2.38 6.19 -0.15 1.61 2.15 -1.25 -4.89 116.67 117.95 1h54 s ASP 445 Ca 0.00 -1.45 0.17 0.00 0.43 0.00 0.00 52.55 51.71 1h54 s ASP 445 Cb 0.00 -2.26 0.76 0.00 -0.30 0.00 0.00 42.92 41.12 1h54 s ASP 445 CO 0.00 -0.96 1.67 -0.90 -0.17 0.00 0.00 175.17 174.81 1h54 n ASP 446 N 5.88 5.07 0.21 -0.34 3.85 -1.26 -4.30 116.55 125.66 1h54 n ASP 446 Ca -0.11 -2.58 0.06 0.00 -0.71 0.00 0.00 54.79 51.45 1h54 n ASP 446 Cb 0.42 -0.61 0.45 0.00 -1.35 0.00 0.00 41.12 40.03 1h54 n ASP 446 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1h54 h SER 447 N 4.11 0.00 0.06 -1.12 4.64 -1.98 -2.38 113.55 116.89 1h54 h SER 447 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h54 h SER 447 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1h54 h SER 447 CO 0.30 0.31 -0.03 0.22 -0.87 0.00 0.00 176.83 176.76 1h54 h TYR 448 N 0.00 -0.07 0.00 4.77 3.20 -1.98 -3.28 116.97 119.61 1h54 h TYR 448 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1h54 h TYR 448 Cb 0.63 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1h54 h TYR 448 CO 0.00 0.42 -0.04 -0.24 -1.64 0.00 0.00 178.16 176.65 1h54 h VAL 449 N -0.96 0.35 -0.07 1.81 3.04 -1.84 0.17 116.25 118.75 1h54 h VAL 449 Ca -0.01 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1h54 h VAL 449 Cb 0.52 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1h54 h VAL 449 CO 0.01 0.04 0.00 0.18 -1.01 0.00 0.00 177.57 176.80 1h54 n LEU 450 N -3.49 1.34 0.00 3.16 4.77 -0.90 -1.89 117.00 120.00 1h54 n LEU 450 Ca -0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1h54 n LEU 450 Cb 0.16 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1h54 n LEU 450 CO 0.26 0.25 0.00 1.41 -1.33 0.00 0.00 177.39 177.98 1h54 n HIS 451 N 0.07 0.00 -0.25 -1.77 8.25 -0.30 -4.70 115.22 116.52 1h54 n HIS 451 Ca 0.18 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.68 1h54 n HIS 451 Cb 0.31 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.58 1h54 n HIS 451 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1h54 h GLU 452 N 0.00 0.44 -0.13 -0.41 3.07 -1.74 -0.54 114.58 115.27 1h54 h GLU 452 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1h54 h GLU 452 Cb 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1h54 h GLU 452 CO 0.00 0.29 0.09 0.78 -1.40 0.00 0.00 179.01 178.77 1h54 h GLY 453 N 0.45 0.18 1.44 -3.84 0.00 -0.94 -1.56 103.07 98.80 1h54 h GLY 453 Ca 0.39 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 1h54 h GLY 453 CO -0.37 0.06 -0.12 0.00 0.00 0.00 0.00 176.54 176.11 1h54 h ALA 454 N 1.92 1.07 -0.45 3.60 0.00 -0.37 -0.74 119.26 124.29 1h54 h ALA 454 Ca 0.05 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1h54 h ALA 454 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1h54 h ALA 454 CO -0.01 0.57 -0.21 -0.22 0.00 0.00 0.00 179.25 179.38 1h54 h LYS 455 N 0.61 0.95 -0.51 0.00 1.63 -1.18 -0.20 116.57 117.86 1h54 h LYS 455 Ca 0.11 -0.41 -0.09 0.00 -0.85 0.00 0.00 60.65 59.40 1h54 h LYS 455 Cb 0.57 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 1h54 h LYS 455 CO 0.04 1.07 -0.04 0.28 -3.45 0.00 0.00 179.45 177.35 1h54 h VAL 456 N 0.79 1.27 -0.45 2.00 2.07 -1.18 -1.57 116.25 119.17 1h54 h VAL 456 Ca 0.10 -1.15 -0.12 0.00 0.82 0.00 0.00 66.70 66.35 1h54 h VAL 456 Cb 0.79 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1h54 h VAL 456 CO 0.06 0.40 -0.21 -0.07 0.02 0.00 0.00 177.57 177.78 1h54 h LEU 457 N 0.79 0.92 -0.08 2.57 3.38 -1.04 -1.43 115.31 120.41 1h54 h LEU 457 Ca 0.14 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1h54 h LEU 457 Cb 0.58 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1h54 h LEU 457 CO 0.03 1.09 0.04 0.74 0.09 0.00 0.00 178.44 180.44 1h54 h THR 458 N 0.78 1.11 -0.13 0.22 2.02 -0.87 0.14 112.91 116.18 1h54 h THR 458 Ca 0.11 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 1h54 h THR 458 Cb 0.76 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1h54 h THR 458 CO 0.06 0.09 -0.36 -0.33 0.37 0.00 0.00 175.52 175.36 1h54 h GLU 459 N 0.02 0.26 -0.24 6.66 4.39 -1.24 0.29 114.58 124.72 1h54 h GLU 459 Ca 0.03 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 1h54 h GLU 459 Cb 0.11 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1h54 h GLU 459 CO -0.00 0.59 -0.30 0.82 -1.16 0.00 0.00 179.01 178.95 1h54 h ILE 460 N 0.23 1.32 -0.65 3.13 2.04 -1.11 -0.67 117.51 121.79 1h54 h ILE 460 Ca 0.03 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.40 1h54 h ILE 460 Cb 0.74 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1h54 h ILE 460 CO 0.06 0.47 0.42 0.28 0.00 0.00 0.00 178.15 179.37 1h54 h SER 461 N 0.34 0.76 -0.54 1.72 0.02 -0.69 -0.15 113.55 115.02 1h54 h SER 461 Ca 0.03 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1h54 h SER 461 Cb 0.88 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 1h54 h SER 461 CO 0.07 0.57 0.19 -0.09 -1.14 0.00 0.00 176.83 176.43 1h54 h ARG 462 N 0.89 0.87 0.33 3.45 9.65 -0.73 0.22 114.38 129.06 1h54 h ARG 462 Ca 0.24 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1h54 h ARG 462 Cb -0.08 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.37 1h54 h ARG 462 CO -0.05 0.74 -0.16 0.35 2.80 0.00 0.00 179.97 183.65 1h54 h PHE 463 N 0.85 -0.41 -0.56 2.20 3.57 -0.37 -2.70 116.94 119.51 1h54 h PHE 463 Ca 0.19 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.78 1h54 h PHE 463 Cb 0.23 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 1h54 h PHE 463 CO 0.01 -0.13 0.13 -1.49 -2.23 0.00 0.00 178.31 174.61 1h54 h TRP 464 N -0.67 0.21 -0.19 0.41 -0.00 -0.89 0.10 115.95 114.93 1h54 h TRP 464 Ca -0.05 0.03 0.06 0.00 -0.00 0.00 0.00 58.89 58.93 1h54 h TRP 464 Cb 0.47 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 29.61 1h54 h TRP 464 CO 0.00 -0.00 0.15 0.00 -0.00 0.00 0.00 178.44 178.59 1h54 h ALA 465 N 1.44 2.07 0.00 1.49 0.00 -0.91 -1.77 119.26 121.58 1h54 h ALA 465 Ca 0.29 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1h54 h ALA 465 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1h54 h ALA 465 CO -0.36 -0.25 -1.48 -3.47 0.00 0.00 0.00 179.25 173.69 1h54 n ASP 466 N -4.29 0.52 0.02 0.00 2.03 -0.14 -4.38 116.55 110.31 1h54 n ASP 466 Ca 0.02 0.21 -0.06 0.00 0.52 0.00 0.00 54.79 55.48 1h54 n ASP 466 Cb 0.29 0.95 -0.11 0.00 -0.72 0.00 0.00 41.12 41.53 1h54 n ASP 466 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1h54 h ARG 467 N 0.00 0.00 -7.40 -0.67 9.65 -0.07 -3.47 114.38 112.42 1h54 h ARG 467 Ca -0.06 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.36 1h54 h ARG 467 Cb 1.16 0.00 0.14 0.00 -1.39 0.00 0.00 29.97 29.88 1h54 h ARG 467 CO 0.01 0.58 0.26 0.14 2.80 0.00 0.00 179.97 183.76 1h54 s VAL 468 N -2.72 2.36 0.04 0.20 -7.23 -0.76 -4.80 120.40 107.48 1h54 s VAL 468 Ca -0.02 0.12 -0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1h54 s VAL 468 Cb 0.09 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1h54 s VAL 468 CO 0.81 -0.15 -0.03 -1.38 -0.31 0.00 0.00 175.10 174.04 1h54 s HIS 469 N -3.08 0.43 -0.28 2.82 -3.43 -0.45 -4.97 115.29 106.33 1h54 s HIS 469 Ca 0.64 -0.82 -0.13 0.00 -0.80 0.00 0.00 55.06 53.94 1h54 s HIS 469 Cb -0.17 -0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 30.63 1h54 s HIS 469 CO 0.56 -0.28 0.27 0.12 -2.00 0.00 0.00 174.74 173.40 1h54 s PHE 470 N -2.82 3.23 -0.51 0.38 5.36 -1.26 -0.76 117.98 121.60 1h54 s PHE 470 Ca -0.03 0.24 -0.23 0.00 -0.96 0.00 0.00 56.93 55.95 1h54 s PHE 470 Cb -0.00 -2.46 0.04 0.00 -0.34 0.00 0.00 43.02 40.26 1h54 s PHE 470 CO -0.06 -0.19 0.82 0.45 -1.46 0.00 0.00 175.22 174.78 1h54 s SER 471 N 1.71 6.33 0.37 6.13 0.15 -0.19 -4.89 113.70 123.30 1h54 s SER 471 Ca 0.10 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.36 1h54 s SER 471 Cb -0.16 -2.39 0.71 0.00 -1.71 0.00 0.00 66.02 62.48 1h54 s SER 471 CO 0.11 -1.07 2.01 0.11 1.20 0.00 0.00 173.24 175.60 1h54 h LYS 472 N 9.15 0.68 -0.69 5.44 1.57 -1.96 0.64 116.57 131.40 1h54 h LYS 472 Ca -0.26 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1h54 h LYS 472 Cb 1.08 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 1h54 h LYS 472 CO 1.03 0.48 0.45 -0.09 -0.57 0.00 0.00 179.45 180.75 1h54 h ARG 473 N 0.69 0.84 -0.01 3.15 2.43 -1.95 -2.99 114.38 116.54 1h54 h ARG 473 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1h54 h ARG 473 Cb -0.02 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1h54 h ARG 473 CO -0.03 0.56 -0.34 0.09 -1.51 0.00 0.00 179.97 178.73 1h54 n ASN 474 N -4.45 1.25 -3.30 -3.80 3.02 -0.69 -4.99 115.26 102.30 1h54 n ASN 474 Ca 0.08 -1.12 -0.24 0.00 -0.03 0.00 0.00 54.58 53.27 1h54 n ASN 474 Cb 0.09 0.58 0.02 0.00 -0.61 0.00 0.00 39.78 39.87 1h54 n ASN 474 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1h54 n ASN 475 N -0.42 -5.18 -3.95 6.41 5.03 0.22 -4.96 115.26 112.40 1h54 n ASN 475 Ca 0.05 -0.40 -0.08 0.00 0.87 0.00 0.00 54.58 55.01 1h54 n ASN 475 Cb 0.26 -4.19 -0.09 0.00 -1.02 0.00 0.00 39.78 34.74 1h54 n ASN 475 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1h54 s GLN 476 N -5.98 0.68 0.20 3.52 -0.21 -1.16 -4.99 119.66 111.72 1h54 s GLN 476 Ca 0.41 -0.96 -0.23 0.00 0.02 0.00 0.00 55.36 54.59 1h54 s GLN 476 Cb -0.20 0.26 -0.08 0.00 1.00 0.00 0.00 33.01 33.99 1h54 s GLN 476 CO 0.50 -0.18 0.77 0.71 -2.12 0.00 0.00 175.29 174.98 1h54 s TYR 477 N -3.42 3.79 0.20 0.91 1.51 0.12 -1.02 117.35 119.44 1h54 s TYR 477 Ca 0.02 1.56 0.02 0.00 -1.01 0.00 0.00 57.07 57.65 1h54 s TYR 477 Cb 0.04 -2.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.11 1h54 s TYR 477 CO -0.08 0.42 0.03 -1.64 -1.11 0.00 0.00 175.55 173.17 1h54 s MET 478 N -1.54 1.19 -0.35 -0.62 -1.94 0.06 -0.95 119.30 115.16 1h54 s MET 478 Ca 0.40 -1.59 0.00 0.00 -1.71 0.00 0.00 55.69 52.78 1h54 s MET 478 Cb -0.20 -0.26 0.11 0.00 2.01 0.00 0.00 34.83 36.49 1h54 s MET 478 CO 0.24 -0.18 0.14 0.42 -0.01 0.00 0.00 175.02 175.63 1h54 s ILE 479 N -3.69 1.07 0.43 2.53 1.01 -1.26 -1.35 121.20 119.94 1h54 s ILE 479 Ca 0.28 -1.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.12 1h54 s ILE 479 Cb 0.06 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1h54 s ILE 479 CO 0.07 -0.75 0.68 -1.00 0.00 0.00 0.00 174.94 173.94 1h54 s HIS 480 N 1.21 3.50 -0.98 3.97 3.76 -1.26 -1.72 115.29 123.78 1h54 s HIS 480 Ca 0.12 0.58 -0.05 0.00 -0.15 0.00 0.00 55.06 55.56 1h54 s HIS 480 Cb -0.20 -2.15 -0.06 0.00 1.11 0.00 0.00 32.58 31.28 1h54 s HIS 480 CO -0.16 -0.14 0.85 0.41 -0.85 0.00 0.00 174.74 174.85 1h54 n GLY 481 N -2.07 -0.97 3.47 -2.22 0.00 -0.80 -4.94 105.19 97.66 1h54 n GLY 481 Ca -0.01 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.26 1h54 n GLY 481 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h54 s VAL 482 N -3.36 0.55 -0.07 1.61 -7.23 -0.26 -4.74 120.40 106.91 1h54 s VAL 482 Ca 0.40 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1h54 s VAL 482 Cb -0.05 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.51 1h54 s VAL 482 CO 0.68 0.00 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.58 1h54 s THR 483 N -3.28 0.38 0.36 5.32 2.01 -0.56 0.05 115.64 119.92 1h54 s THR 483 Ca 0.27 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 1h54 s THR 483 Cb 0.03 -0.53 0.08 0.00 0.01 0.00 0.00 72.50 72.09 1h54 s THR 483 CO 0.16 0.26 0.49 0.61 -0.69 0.00 0.00 174.62 175.44 1h54 n GLY 484 N 5.08 -0.84 0.39 4.40 0.00 -1.26 -4.06 105.19 108.90 1h54 n GLY 484 Ca -0.08 -1.75 0.18 0.00 0.00 0.00 0.00 46.02 44.37 1h54 n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h54 h ALA 485 N -1.62 2.27 -1.14 4.61 0.00 -1.93 -3.25 119.26 118.21 1h54 h ALA 485 Ca -0.16 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.17 1h54 h ALA 485 Cb 0.46 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 1h54 h ALA 485 CO 0.12 -0.48 1.39 0.34 0.00 0.00 0.00 179.25 180.62 1h54 s ASP 486 N -5.97 6.37 0.00 0.00 2.15 -1.26 -4.72 116.67 113.24 1h54 s ASP 486 Ca -0.07 -1.22 0.07 0.00 0.43 0.00 0.00 52.55 51.76 1h54 s ASP 486 Cb 0.21 -2.57 0.44 0.00 -0.30 0.00 0.00 42.92 40.70 1h54 s ASP 486 CO 0.76 -1.63 0.85 -0.62 -0.17 0.00 0.00 175.17 174.36 1h54 n GLU 487 N 8.98 0.38 -0.30 4.34 1.02 -1.23 -2.38 120.64 131.45 1h54 n GLU 487 Ca 0.28 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.48 1h54 n GLU 487 Cb 0.50 -1.30 0.20 0.00 -0.02 0.00 0.00 31.44 30.82 1h54 n GLU 487 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1h54 n TYR 488 N -0.80 0.75 -3.84 -0.32 0.53 -1.26 -4.61 117.16 107.60 1h54 n TYR 488 Ca 0.06 -0.32 -0.22 0.00 -1.02 0.00 0.00 57.90 56.39 1h54 n TYR 488 Cb 0.03 -0.10 -0.17 0.00 -1.03 0.00 0.00 39.34 38.06 1h54 n TYR 488 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 1h54 s GLU 489 N -1.61 0.67 -0.01 -0.72 0.41 -1.00 -4.04 118.70 112.40 1h54 s GLU 489 Ca 0.29 0.06 0.07 0.00 -0.41 0.00 0.00 54.97 54.98 1h54 s GLU 489 Cb 0.17 -0.96 -0.02 0.00 -1.78 0.00 0.00 34.13 31.54 1h54 s GLU 489 CO 0.16 -0.26 -0.24 -0.80 -0.49 0.00 0.00 175.26 173.63 1h54 s ASN 490 N 1.76 2.80 -1.42 -0.19 0.02 -1.26 -4.29 114.94 112.37 1h54 s ASN 490 Ca 0.02 -0.45 -0.08 0.00 -1.02 0.00 0.00 52.86 51.33 1h54 s ASN 490 Cb -0.13 -0.30 0.04 0.00 0.02 0.00 0.00 41.25 40.88 1h54 s ASN 490 CO -0.04 0.28 0.92 -3.20 0.02 0.00 0.00 177.10 175.08 1h54 n ASN 491 N 2.40 -3.67 -4.77 -1.22 4.05 -0.35 -4.97 115.26 106.73 1h54 n ASN 491 Ca -0.16 -0.75 -0.23 0.00 0.45 0.00 0.00 54.58 53.89 1h54 n ASN 491 Cb 0.52 -4.16 0.09 0.00 1.23 0.00 0.00 39.78 37.46 1h54 n ASN 491 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1h54 s VAL 492 N -3.43 2.28 -0.09 3.44 -7.23 0.11 -4.56 120.40 110.91 1h54 s VAL 492 Ca 0.40 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 60.00 1h54 s VAL 492 Cb -0.20 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 1h54 s VAL 492 CO 0.81 0.00 -0.19 -1.81 -0.31 0.00 0.00 175.10 173.59 1h54 s ASP 493 N -4.65 3.51 -1.11 4.85 -0.00 -1.26 -1.10 116.67 116.91 1h54 s ASP 493 Ca 0.64 -0.43 -0.13 0.00 -0.00 0.00 0.00 52.55 52.63 1h54 s ASP 493 Cb -0.07 -1.27 -0.04 0.00 -0.00 0.00 0.00 42.92 41.54 1h54 s ASP 493 CO 0.43 0.20 0.85 0.59 -0.00 0.00 0.00 175.17 177.24 1h54 n ASN 494 N 3.24 -5.69 -4.65 0.27 5.03 -0.70 -0.93 115.26 111.83 1h54 n ASN 494 Ca -0.18 -0.86 -0.42 0.00 0.87 0.00 0.00 54.58 53.99 1h54 n ASN 494 Cb 0.53 -4.31 -0.03 0.00 -1.02 0.00 0.00 39.78 34.95 1h54 n ASN 494 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1h54 s ASN 495 N -3.49 6.56 0.18 6.41 2.47 -1.26 -3.85 114.94 121.96 1h54 s ASN 495 Ca 0.44 2.18 -0.18 0.00 0.42 0.00 0.00 52.86 55.72 1h54 s ASN 495 Cb -0.11 -2.53 0.13 0.00 -1.45 0.00 0.00 41.25 37.29 1h54 s ASN 495 CO 0.80 -1.03 1.63 -0.25 -3.72 0.00 0.00 177.10 174.53 1h54 h TRP 496 N 10.03 -0.51 -0.81 0.43 7.01 -0.85 -1.31 115.95 129.93 1h54 h TRP 496 Ca -0.40 0.05 0.09 0.00 2.11 0.00 0.00 58.89 60.74 1h54 h TRP 496 Cb 1.18 0.30 -0.07 0.00 -2.10 0.00 0.00 29.16 28.47 1h54 h TRP 496 CO 0.90 -0.29 0.47 0.22 -2.79 0.00 0.00 178.44 176.95 1h54 h ASP 497 N -0.10 0.68 -0.26 2.65 -0.00 -1.83 0.80 116.42 118.36 1h54 h ASP 497 Ca 0.22 0.04 -0.06 0.00 -0.00 0.00 0.00 57.03 57.24 1h54 h ASP 497 Cb 0.45 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.69 1h54 h ASP 497 CO -0.54 0.39 -0.07 0.74 -0.00 0.00 0.00 179.24 179.77 1h54 h THR 498 N 0.80 1.28 -0.77 2.25 2.02 -1.71 -0.51 112.91 116.27 1h54 h THR 498 Ca 0.39 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 1h54 h THR 498 Cb 0.33 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1h54 h THR 498 CO -0.24 0.34 0.28 0.78 0.37 0.00 0.00 175.52 177.05 1h54 h ASN 499 N 0.24 1.09 -0.27 4.18 4.21 -0.91 -0.77 115.58 123.35 1h54 h ASN 499 Ca 0.06 -0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.37 1h54 h ASN 499 Cb 0.54 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.44 1h54 h ASN 499 CO 0.03 0.99 0.11 -0.03 -1.29 0.00 0.00 177.43 177.24 1h54 h MET 500 N 1.14 0.40 -0.49 0.81 4.05 -0.73 -1.22 114.93 118.89 1h54 h MET 500 Ca 0.25 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.53 1h54 h MET 500 Cb 0.26 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1h54 h MET 500 CO -0.01 0.42 -0.01 -0.07 0.23 0.00 0.00 176.91 177.46 1h54 h LEU 501 N 0.29 0.80 -0.18 3.39 3.38 -0.90 -0.18 115.31 121.91 1h54 h LEU 501 Ca 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1h54 h LEU 501 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1h54 h LEU 501 CO -0.01 0.87 -0.01 0.00 0.09 0.00 0.00 178.44 179.38 1h54 h ALA 502 N 1.22 0.25 -0.45 1.53 0.00 -0.97 0.39 119.26 121.21 1h54 h ALA 502 Ca 0.15 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1h54 h ALA 502 Cb 0.48 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1h54 h ALA 502 CO 0.02 -0.03 0.28 0.37 0.00 0.00 0.00 179.25 179.90 1h54 h GLN 503 N 0.07 0.55 -0.67 0.00 4.15 -1.06 -2.10 115.11 116.05 1h54 h GLN 503 Ca 0.05 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1h54 h GLN 503 Cb 0.41 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1h54 h GLN 503 CO 0.01 0.36 0.29 2.35 -1.93 0.00 0.00 178.83 179.91 1h54 h TRP 504 N 0.56 1.01 0.01 3.99 7.01 -0.90 -1.28 115.95 126.36 1h54 h TRP 504 Ca 0.18 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.13 1h54 h TRP 504 Cb -0.01 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.72 1h54 h TRP 504 CO -0.06 0.77 -0.10 1.15 -2.79 0.00 0.00 178.44 177.42 1h54 h THR 505 N 0.95 0.76 -0.48 2.65 2.02 -0.53 0.47 112.91 118.74 1h54 h THR 505 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1h54 h THR 505 Cb 0.18 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1h54 h THR 505 CO -0.02 0.00 0.32 -0.07 0.37 0.00 0.00 175.52 176.12 1h54 h LEU 506 N -0.17 0.55 0.11 2.58 3.38 -1.24 -0.43 115.31 120.09 1h54 h LEU 506 Ca 0.03 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1h54 h LEU 506 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1h54 h LEU 506 CO -0.09 0.40 -0.14 0.50 0.09 0.00 0.00 178.44 179.20 1h54 h LYS 507 N 0.65 -0.28 -0.70 1.13 3.64 -0.92 -1.41 116.57 118.69 1h54 h LYS 507 Ca 0.18 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1h54 h LYS 507 Cb -0.08 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1h54 h LYS 507 CO -0.04 -0.19 0.28 -0.92 -2.27 0.00 0.00 179.45 176.31 1h54 h TYR 508 N -0.29 1.07 -0.64 1.91 3.20 -0.70 -2.25 116.97 119.27 1h54 h TYR 508 Ca 0.01 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 1h54 h TYR 508 Cb 0.29 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1h54 h TYR 508 CO -0.14 0.83 0.34 1.15 -1.64 0.00 0.00 178.16 178.69 1h54 h THR 509 N 1.00 1.21 -0.81 1.81 2.02 -0.92 0.11 112.91 117.32 1h54 h THR 509 Ca 0.23 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.89 1h54 h THR 509 Cb 0.21 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1h54 h THR 509 CO -0.02 0.23 0.54 -0.07 0.37 0.00 0.00 175.52 176.57 1h54 h LEU 510 N 0.88 0.90 -0.36 2.58 3.38 -0.98 0.24 115.31 121.95 1h54 h LEU 510 Ca 0.22 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1h54 h LEU 510 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1h54 h LEU 510 CO -0.03 0.63 0.08 -0.33 0.09 0.00 0.00 178.44 178.88 1h54 h GLU 511 N 1.05 0.57 -0.44 1.13 5.08 -0.72 -2.93 114.58 118.32 1h54 h GLU 511 Ca 0.31 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1h54 h GLU 511 Cb -0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1h54 h GLU 511 CO -0.08 0.62 0.01 0.82 -1.00 0.00 0.00 179.01 179.38 1h54 h ILE 512 N 0.42 1.26 -0.10 3.13 1.08 0.00 -2.64 117.51 120.66 1h54 h ILE 512 Ca 0.11 -1.01 0.03 0.00 -0.39 0.00 0.00 64.86 63.60 1h54 h ILE 512 Cb 0.31 1.05 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1h54 h ILE 512 CO 0.00 0.35 0.13 -0.07 -0.69 0.00 0.00 178.15 177.87 1h54 h LEU 513 N 0.61 0.00 -0.24 1.44 3.38 -0.49 0.35 115.31 120.35 1h54 h LEU 513 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1h54 h LEU 513 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1h54 h LEU 513 CO 0.02 0.00 -0.10 0.61 0.09 0.00 0.00 178.44 179.06 1h54 n GLY 514 N -1.33 -0.93 0.01 0.83 0.00 -1.00 -3.93 105.19 98.85 1h54 n GLY 514 Ca -0.00 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.78 1h54 n GLY 514 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h54 n LYS 515 N -0.94 0.76 -1.35 1.61 4.76 0.12 -5.03 118.16 118.09 1h54 n LYS 515 Ca 0.15 -0.08 -0.33 0.00 -2.87 0.00 0.00 58.31 55.19 1h54 n LYS 515 Cb 0.27 -1.24 0.09 0.00 -1.84 0.00 0.00 35.03 32.31 1h54 n LYS 515 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1h54 s VAL 516 N -2.61 2.75 0.79 -0.18 -7.23 -0.89 -5.02 120.40 108.00 1h54 s VAL 516 Ca -0.04 0.31 -0.12 0.00 -1.81 0.00 0.00 61.98 60.32 1h54 s VAL 516 Cb 0.06 -2.74 0.06 0.00 0.56 0.00 0.00 36.38 34.32 1h54 s VAL 516 CO 0.42 -0.25 1.13 1.51 -0.31 0.00 0.00 175.10 177.60 1h54 s ASP 517 N -2.61 4.69 0.17 4.85 1.47 -1.26 -4.76 116.67 119.22 1h54 s ASP 517 Ca 0.68 1.02 -0.16 0.00 1.18 0.00 0.00 52.55 55.28 1h54 s ASP 517 Cb -0.23 -1.68 0.13 0.00 -0.34 0.00 0.00 42.92 40.80 1h54 s ASP 517 CO 0.49 -1.81 1.68 1.56 0.68 0.00 0.00 175.17 177.76 1h54 h GLN 518 N -0.98 0.05 -0.68 2.11 4.20 -1.98 -0.08 115.11 117.74 1h54 h GLN 518 Ca -0.46 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.31 1h54 h GLN 518 Cb 1.29 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 29.00 1h54 h GLN 518 CO 0.63 0.04 0.37 -0.44 -0.67 0.00 0.00 178.83 178.76 1h54 h ASP 519 N 0.06 0.53 -0.18 1.46 3.32 -1.99 0.18 116.42 119.80 1h54 h ASP 519 Ca 0.22 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 1h54 h ASP 519 Cb 0.32 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1h54 h ASP 519 CO -0.40 0.33 -0.02 0.74 -1.72 0.00 0.00 179.24 178.17 1h54 h THR 520 N 0.67 1.27 -0.71 0.35 2.02 -1.77 -2.22 112.91 112.52 1h54 h THR 520 Ca 0.32 -0.93 0.06 0.00 0.77 0.00 0.00 66.41 66.62 1h54 h THR 520 Cb 0.24 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1h54 h THR 520 CO -0.21 0.28 0.47 0.00 0.37 0.00 0.00 175.52 176.43 1h54 h ALA 521 N 0.75 1.69 -0.12 6.16 0.00 -0.59 0.67 119.26 127.83 1h54 h ALA 521 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1h54 h ALA 521 Cb 0.43 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1h54 h ALA 521 CO 0.01 0.20 0.03 0.87 0.00 0.00 0.00 179.25 180.36 1h54 h LYS 522 N 0.76 0.19 0.00 0.00 1.57 -0.78 -0.82 116.57 117.50 1h54 h LYS 522 Ca 0.30 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1h54 h LYS 522 Cb 0.23 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1h54 h LYS 522 CO -0.10 0.37 -0.01 1.96 -0.57 0.00 0.00 179.45 181.10 1h54 h GLN 523 N -0.02 -0.02 -0.95 3.15 4.20 -0.70 -2.31 115.11 118.47 1h54 h GLN 523 Ca 0.04 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.85 1h54 h GLN 523 Cb 0.26 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 1h54 h GLN 523 CO 0.00 -0.01 0.61 -0.07 -0.67 0.00 0.00 178.83 178.69 1h54 h LEU 524 N -0.02 0.88 -2.24 1.46 3.38 -0.84 -3.46 115.31 114.46 1h54 h LEU 524 Ca 0.00 0.03 -0.45 0.00 0.09 0.00 0.00 57.88 57.55 1h54 h LEU 524 Cb 0.02 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 40.65 1h54 h LEU 524 CO -0.01 0.50 -0.88 -0.67 0.09 0.00 0.00 178.44 177.47 1h54 n ASP 525 N -4.56 -2.08 -4.38 -0.43 2.03 -0.32 -4.94 116.55 101.87 1h54 n ASP 525 Ca 0.17 -0.95 -0.45 0.00 0.52 0.00 0.00 54.79 54.09 1h54 n ASP 525 Cb 0.32 -3.50 -0.06 0.00 -0.72 0.00 0.00 41.12 37.15 1h54 n ASP 525 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1h54 s VAL 526 N -3.72 5.06 1.00 5.18 1.01 -1.26 -5.05 120.40 122.61 1h54 s VAL 526 Ca 0.14 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1h54 s VAL 526 Cb -0.05 -4.29 0.18 0.00 0.00 0.00 0.00 36.38 32.22 1h54 s VAL 526 CO 0.85 -0.81 1.05 -1.54 0.00 0.00 0.00 175.10 174.66 1h54 n SER 527 N 5.67 -0.40 0.22 3.32 3.41 -1.26 -4.80 113.62 119.77 1h54 n SER 527 Ca -0.11 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 58.82 1h54 n SER 527 Cb 0.43 -1.40 0.49 0.00 -0.26 0.00 0.00 64.21 63.47 1h54 n SER 527 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1h54 h ASP 528 N -2.11 0.00 -0.46 4.04 3.32 -1.99 -2.18 116.42 117.03 1h54 h ASP 528 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 1h54 h ASP 528 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1h54 h ASP 528 CO 0.43 0.27 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.11 1h54 h GLU 529 N 0.00 0.84 -0.02 3.56 4.81 -1.99 -1.18 114.58 120.59 1h54 h GLU 529 Ca -0.00 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1h54 h GLU 529 Cb 0.60 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1h54 h GLU 529 CO 0.04 0.90 0.01 0.93 -0.73 0.00 0.00 179.01 180.16 1h54 h GLU 530 N 0.68 0.04 -0.95 1.92 5.08 -1.79 -1.30 114.58 118.26 1h54 h GLU 530 Ca 0.13 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1h54 h GLU 530 Cb 0.54 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1h54 h GLU 530 CO 0.03 0.17 0.62 0.87 -1.00 0.00 0.00 179.01 179.70 1h54 h LYS 531 N -0.11 1.11 -0.56 2.33 1.57 -1.33 0.16 116.57 119.74 1h54 h LYS 531 Ca 0.01 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1h54 h LYS 531 Cb 0.15 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1h54 h LYS 531 CO -0.00 0.73 -0.01 1.15 -0.57 0.00 0.00 179.45 180.75 1h54 h THR 532 N 1.14 1.27 -0.12 -0.16 2.02 -1.03 -0.60 112.91 115.42 1h54 h THR 532 Ca 0.39 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1h54 h THR 532 Cb 0.11 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1h54 h THR 532 CO -0.14 0.41 0.05 0.50 0.37 0.00 0.00 175.52 176.71 1h54 h LYS 533 N 0.87 0.18 -0.69 6.66 1.63 -0.15 -1.79 116.57 123.28 1h54 h LYS 533 Ca 0.16 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.95 1h54 h LYS 533 Cb 0.56 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.12 1h54 h LYS 533 CO 0.03 0.28 0.43 -1.49 -3.45 0.00 0.00 179.45 175.26 1h54 h TRP 534 N 0.03 0.81 -0.43 1.91 4.06 -0.61 -1.98 115.95 119.74 1h54 h TRP 534 Ca 0.04 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.98 1h54 h TRP 534 Cb 0.18 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 1h54 h TRP 534 CO -0.01 0.47 0.14 0.37 -3.56 0.00 0.00 178.44 175.84 1h54 h GLN 535 N 0.85 0.62 -0.44 0.49 5.75 -0.91 -0.99 115.11 120.48 1h54 h GLN 535 Ca 0.28 -0.10 -0.11 0.00 -0.15 0.00 0.00 58.65 58.57 1h54 h GLN 535 Cb 0.01 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1h54 h GLN 535 CO -0.10 0.55 -0.17 0.22 -2.65 0.00 0.00 178.83 176.67 1h54 h ASP 536 N 0.61 0.85 -0.55 -0.69 3.58 -0.63 -0.28 116.42 119.32 1h54 h ASP 536 Ca 0.15 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.24 1h54 h ASP 536 Cb 0.18 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1h54 h ASP 536 CO -0.01 1.01 0.09 0.40 -2.88 0.00 0.00 179.24 177.85 1h54 h ILE 537 N 0.75 1.25 -0.33 2.25 2.04 -0.70 0.33 117.51 123.11 1h54 h ILE 537 Ca 0.11 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1h54 h ILE 537 Cb 0.69 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1h54 h ILE 537 CO 0.05 0.35 0.16 0.58 0.00 0.00 0.00 178.15 179.29 1h54 h VAL 538 N 0.81 1.16 -0.36 1.67 2.07 -0.94 -1.50 116.25 119.16 1h54 h VAL 538 Ca 0.17 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1h54 h VAL 538 Cb 0.41 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1h54 h VAL 538 CO 0.01 0.17 -0.11 0.44 0.02 0.00 0.00 177.57 178.10 1h54 h ASP 539 N 0.40 0.61 -0.16 0.57 3.32 -0.77 -3.30 116.42 117.09 1h54 h ASP 539 Ca 0.11 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1h54 h ASP 539 Cb 0.13 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1h54 h ASP 539 CO -0.01 0.75 -0.28 0.54 -1.72 0.00 0.00 179.24 178.52 1h54 n ARG 540 N -4.18 1.72 -2.33 3.56 1.74 0.08 -5.02 116.66 112.22 1h54 n ARG 540 Ca 0.01 -3.20 -0.42 0.00 -0.77 0.00 0.00 57.85 53.47 1h54 n ARG 540 Cb 0.34 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1h54 n ARG 540 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1h54 s MET 541 N -3.21 4.43 0.01 5.56 1.75 -0.57 -0.71 119.30 126.57 1h54 s MET 541 Ca 0.41 1.90 -0.30 0.00 -1.25 0.00 0.00 55.69 56.45 1h54 s MET 541 Cb 0.38 -3.26 -0.03 0.00 2.84 0.00 0.00 34.83 34.75 1h54 s MET 541 CO -0.03 -0.21 0.98 -0.47 -0.65 0.00 0.00 175.02 174.64 1h54 s TYR 542 N 0.44 3.67 -0.25 4.11 5.04 -0.12 -4.85 117.35 125.39 1h54 s TYR 542 Ca 0.57 1.70 -0.01 0.00 -2.44 0.00 0.00 57.07 56.89 1h54 s TYR 542 Cb -0.33 -3.12 0.07 0.00 0.35 0.00 0.00 41.96 38.94 1h54 s TYR 542 CO 0.34 -0.01 0.03 -0.51 -1.34 0.00 0.00 175.55 174.06 1h54 s LEU 543 N 0.91 2.07 0.25 6.97 1.43 -1.26 -4.88 118.68 124.17 1h54 s LEU 543 Ca 0.52 -1.23 -0.31 0.00 -1.03 0.00 0.00 54.13 52.07 1h54 s LEU 543 Cb -0.21 -0.89 -0.12 0.00 0.03 0.00 0.00 46.19 44.99 1h54 s LEU 543 CO 0.28 -0.32 1.63 -0.81 0.23 0.00 0.00 176.35 177.36 1h54 n PRO 544 N 4.84 2.67 -3.76 1.29 -0.04 -1.26 -4.98 135.00 133.75 1h54 n PRO 544 Ca -0.07 0.95 -0.13 0.00 -0.04 0.00 0.00 63.50 64.21 1h54 n PRO 544 Cb 0.44 -2.75 -0.09 0.00 -0.04 0.00 0.00 33.50 31.06 1h54 n PRO 544 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1h54 s TYR 545 N 0.45 -0.24 -0.23 0.54 5.04 -1.26 -2.10 117.35 119.55 1h54 s TYR 545 Ca 0.69 0.48 0.02 0.00 -2.44 0.00 0.00 57.07 55.82 1h54 s TYR 545 Cb -0.52 0.11 0.04 0.00 0.35 0.00 0.00 41.96 41.94 1h54 s TYR 545 CO 0.42 -0.32 -0.14 0.34 -1.34 0.00 0.00 175.55 174.52 1h54 s ASP 546 N -0.81 3.87 0.10 4.32 2.15 -0.45 -4.86 116.67 120.99 1h54 s ASP 546 Ca -0.09 -1.08 -0.26 0.00 0.43 0.00 0.00 52.55 51.54 1h54 s ASP 546 Cb -0.04 -1.48 -0.12 0.00 -0.30 0.00 0.00 42.92 40.98 1h54 s ASP 546 CO 0.03 -0.12 1.67 0.50 -0.17 0.00 0.00 175.17 177.08 1h54 h LYS 547 N 7.85 -0.38 -0.99 4.34 3.64 -1.97 0.41 116.57 129.48 1h54 h LYS 547 Ca -0.29 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1h54 h LYS 547 Cb 1.08 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.90 1h54 h LYS 547 CO 0.52 -0.25 0.62 -0.44 -2.27 0.00 0.00 179.45 177.62 1h54 h ASP 548 N -0.39 0.88 0.32 4.20 3.32 -1.98 -1.53 116.42 121.24 1h54 h ASP 548 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1h54 h ASP 548 Cb 0.38 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1h54 h ASP 548 CO -0.05 0.44 -0.95 0.18 -1.72 0.00 0.00 179.24 177.14 1h54 n LEU 549 N -4.66 0.66 -3.69 1.55 4.77 -1.17 -4.98 117.00 109.48 1h54 n LEU 549 Ca 0.19 -0.14 -0.23 0.00 -0.03 0.00 0.00 56.01 55.80 1h54 n LEU 549 Cb 0.39 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1h54 n LEU 549 CO 0.26 0.11 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.15 1h54 n ASN 550 N -1.76 -2.34 -4.22 -1.43 5.15 0.14 -4.85 115.26 105.95 1h54 n ASN 550 Ca 0.03 -0.88 -0.13 0.00 -0.60 0.00 0.00 54.58 53.01 1h54 n ASN 550 Cb 0.39 -3.89 -0.10 0.00 -0.53 0.00 0.00 39.78 35.66 1h54 n ASN 550 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1h54 s ILE 551 N -3.64 0.86 -0.09 -1.44 -4.36 -1.08 -4.47 121.20 106.98 1h54 s ILE 551 Ca 0.14 -1.99 -0.21 0.00 -0.26 0.00 0.00 60.65 58.33 1h54 s ILE 551 Cb -0.04 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 1h54 s ILE 551 CO 0.83 -0.73 0.58 -0.36 0.24 0.00 0.00 174.94 175.49 1h54 s PHE 552 N -3.53 3.56 -0.22 1.37 0.40 -1.26 -1.35 117.98 116.95 1h54 s PHE 552 Ca 0.16 1.07 -0.27 0.00 -0.60 0.00 0.00 56.93 57.29 1h54 s PHE 552 Cb 0.05 -2.66 0.00 0.00 0.51 0.00 0.00 43.02 40.92 1h54 s PHE 552 CO -0.01 0.15 0.94 0.08 0.70 0.00 0.00 175.22 177.08 1h54 s VAL 553 N 0.61 4.77 0.30 -0.44 1.01 -0.89 -4.93 120.40 120.83 1h54 s VAL 553 Ca 0.31 1.82 0.01 0.00 0.00 0.00 0.00 61.98 64.12 1h54 s VAL 553 Cb -0.16 -4.22 0.40 0.00 0.00 0.00 0.00 36.38 32.39 1h54 s VAL 553 CO 0.14 -0.10 1.58 -0.61 0.00 0.00 0.00 175.10 176.11 1h54 h GLN 554 N 7.49 0.02 -3.05 2.72 4.15 -1.92 -3.34 115.11 121.18 1h54 h GLN 554 Ca -0.23 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1h54 h GLN 554 Cb 1.09 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.67 1h54 h GLN 554 CO 0.92 0.02 0.18 -3.38 -1.93 0.00 0.00 178.83 174.63 1h54 s HIS 555 N -6.01 -0.39 0.14 3.99 -3.43 -1.26 -0.39 115.29 107.95 1h54 s HIS 555 Ca -0.13 0.10 -0.31 0.00 -0.80 0.00 0.00 55.06 53.91 1h54 s HIS 555 Cb 0.28 0.57 -0.11 0.00 -1.43 0.00 0.00 32.58 31.89 1h54 s HIS 555 CO 0.78 -0.95 1.81 -0.51 -2.00 0.00 0.00 174.74 173.86 1h54 s ASP 556 N -2.81 6.41 0.00 7.38 1.01 -0.10 -1.85 116.67 126.70 1h54 s ASP 556 Ca 0.05 2.79 0.00 0.00 0.71 0.00 0.00 52.55 56.10 1h54 s ASP 556 Cb -0.02 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1h54 s ASP 556 CO -0.07 -1.00 0.00 0.61 0.21 0.00 0.00 175.17 174.92 1h54 n GLY 557 N 4.18 0.74 0.35 0.21 0.00 -1.26 -4.74 105.19 104.67 1h54 n GLY 557 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1h54 n GLY 557 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1h54 h PHE 558 N 0.00 1.07 0.00 1.61 3.04 -1.77 -0.64 116.94 120.25 1h54 h PHE 558 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1h54 h PHE 558 Cb 0.00 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.17 1h54 h PHE 558 CO 0.00 0.47 0.00 1.28 -2.02 0.00 0.00 178.31 178.04 1h54 n LEU 559 N -4.62 0.13 0.00 0.59 4.77 -1.26 -2.05 117.00 114.56 1h54 n LEU 559 Ca 0.16 0.53 0.14 0.00 -0.03 0.00 0.00 56.01 56.82 1h54 n LEU 559 Cb 0.28 -0.52 0.66 0.00 -2.33 0.00 0.00 43.42 41.51 1h54 n LEU 559 CO 0.29 -0.33 0.97 0.47 -1.33 0.00 0.00 177.39 177.47 1h54 n ASP 560 N -1.65 0.00 -4.46 -1.43 8.00 -0.25 -4.84 116.55 111.93 1h54 n ASP 560 Ca 0.03 0.30 -0.29 0.00 0.71 0.00 0.00 54.79 55.54 1h54 n ASP 560 Cb 0.17 -0.43 0.20 0.00 -0.02 0.00 0.00 41.12 41.04 1h54 n ASP 560 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1h54 s LYS 561 N -2.86 -0.07 -1.01 -1.24 1.02 -0.87 -4.91 119.74 109.79 1h54 s LYS 561 Ca 0.18 0.34 -0.19 0.00 0.02 0.00 0.00 55.97 56.33 1h54 s LYS 561 Cb 0.19 -1.69 0.12 0.00 -0.52 0.00 0.00 37.83 35.93 1h54 s LYS 561 CO 0.50 -3.03 1.26 0.34 -0.92 0.00 0.00 175.35 173.50 1h54 s ASP 562 N -3.57 6.69 0.00 2.83 3.68 -1.26 -4.98 116.67 120.07 1h54 s ASP 562 Ca 0.67 -2.13 -0.30 0.00 2.13 0.00 0.00 52.55 52.92 1h54 s ASP 562 Cb -0.16 -2.43 -0.06 0.00 -1.45 0.00 0.00 42.92 38.81 1h54 s ASP 562 CO 0.57 -1.09 1.54 -0.63 0.13 0.00 0.00 175.17 175.70 1h54 s ILE 563 N 2.93 3.48 -0.10 4.11 -1.09 -1.26 -4.48 121.20 124.80 1h54 s ILE 563 Ca 0.37 0.82 -0.24 0.00 -2.23 0.00 0.00 60.65 59.37 1h54 s ILE 563 Cb -0.03 -3.53 0.06 0.00 -1.58 0.00 0.00 42.46 37.38 1h54 s ILE 563 CO -0.07 -0.02 0.57 -1.61 -1.23 0.00 0.00 174.94 172.57 1h54 s GLU 564 N 2.91 0.85 0.76 2.79 2.02 -1.26 -5.12 118.70 121.66 1h54 s GLU 564 Ca 0.69 0.34 -0.13 0.00 0.02 0.00 0.00 54.97 55.89 1h54 s GLU 564 Cb -0.34 0.40 0.06 0.00 0.10 0.00 0.00 34.13 34.34 1h54 s GLU 564 CO 0.29 -0.22 1.15 -1.25 0.02 0.00 0.00 175.26 175.25 1h54 s PRO 565 N -0.74 2.08 0.51 0.39 0.04 -1.26 -4.84 135.00 131.18 1h54 s PRO 565 Ca -0.08 1.51 0.17 0.00 0.04 0.00 0.00 61.00 62.64 1h54 s PRO 565 Cb -0.03 -1.85 1.25 0.00 0.04 0.00 0.00 34.50 33.91 1h54 s PRO 565 CO 0.06 -1.83 2.11 0.28 0.04 0.00 0.00 177.00 177.66 1h54 h VAL 566 N -0.72 0.98 0.00 -0.36 2.07 -1.33 -2.11 116.25 114.79 1h54 h VAL 566 Ca -0.46 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1h54 h VAL 566 Cb 1.26 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1h54 h VAL 566 CO 0.49 0.05 0.01 0.77 0.02 0.00 0.00 177.57 178.92 1h54 h SER 567 N 0.00 0.00 0.95 0.57 4.64 -1.92 -0.91 113.55 116.88 1h54 h SER 567 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h54 h SER 567 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1h54 h SER 567 CO 0.01 0.00 -0.18 -1.20 -0.87 0.00 0.00 176.83 174.59 1h54 n SER 568 N -3.02 0.32 -4.68 4.97 7.64 -0.79 -4.80 113.62 113.27 1h54 n SER 568 Ca -0.03 0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.73 1h54 n SER 568 Cb 0.08 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 1h54 n SER 568 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1h54 s ILE 569 N -3.03 4.82 0.24 0.44 1.01 -0.35 -4.99 121.20 119.34 1h54 s ILE 569 Ca 0.12 1.84 -0.31 0.00 0.00 0.00 0.00 60.65 62.30 1h54 s ILE 569 Cb 0.17 -4.23 -0.13 0.00 0.01 0.00 0.00 42.46 38.28 1h54 s ILE 569 CO 0.60 -0.00 1.46 -2.65 0.00 0.00 0.00 174.94 174.35 1h54 n PRO 570 N 5.25 2.18 -0.32 2.79 -0.02 -1.26 -4.86 135.00 138.75 1h54 n PRO 570 Ca 0.07 0.78 0.12 0.00 -2.02 0.00 0.00 63.50 62.44 1h54 n PRO 570 Cb 0.48 -2.47 0.34 0.00 -0.02 0.00 0.00 33.50 31.83 1h54 n PRO 570 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h54 h ALA 571 N 4.49 1.74 0.00 3.55 0.00 -1.94 0.49 119.26 127.59 1h54 h ALA 571 Ca -0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1h54 h ALA 571 Cb 1.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1h54 h ALA 571 CO 0.78 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.59 1h54 n ASP 572 N -4.64 0.00 -0.34 0.00 5.68 -1.26 -1.50 116.55 114.48 1h54 n ASP 572 Ca 0.20 -1.12 0.04 0.00 -0.50 0.00 0.00 54.79 53.42 1h54 n ASP 572 Cb 0.51 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.53 1h54 n ASP 572 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h54 n GLN 573 N -0.66 0.38 -4.36 0.11 6.02 0.16 -4.99 117.38 114.05 1h54 n GLN 573 Ca 0.05 -1.07 -0.32 0.00 -0.01 0.00 0.00 57.00 55.65 1h54 n GLN 573 Cb 0.02 -1.16 -0.10 0.00 1.02 0.00 0.00 30.24 30.03 1h54 n GLN 573 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1h54 s ARG 574 N -0.72 2.65 0.43 -1.09 0.52 -0.57 -3.25 118.95 116.92 1h54 s ARG 574 Ca 0.10 -0.69 -0.24 0.00 -0.52 0.00 0.00 55.73 54.39 1h54 s ARG 574 Cb 0.07 -2.57 -0.08 0.00 0.52 0.00 0.00 34.95 32.89 1h54 s ARG 574 CO 0.10 0.61 1.12 -1.25 0.02 0.00 0.00 175.30 175.91 1h54 s PRO 575 N -1.54 3.96 0.55 3.54 0.04 -1.26 -5.00 135.00 135.29 1h54 s PRO 575 Ca 0.19 1.69 0.32 0.00 0.04 0.00 0.00 61.00 63.24 1h54 s PRO 575 Cb -0.11 -2.50 1.59 0.00 0.04 0.00 0.00 34.50 33.51 1h54 s PRO 575 CO 0.09 -0.36 2.09 -0.84 0.04 0.00 0.00 177.00 178.02 1h54 h ILE 576 N 2.07 0.30 0.00 0.56 3.07 -1.97 -2.29 117.51 119.25 1h54 h ILE 576 Ca -0.49 -0.47 -0.02 0.00 1.55 0.00 0.00 64.86 65.44 1h54 h ILE 576 Cb 1.23 1.35 -0.00 0.00 -0.27 0.00 0.00 36.82 39.13 1h54 h ILE 576 CO 0.61 0.07 -0.08 -0.55 -1.05 0.00 0.00 178.15 177.15 1h54 h ASN 577 N 0.00 0.00 0.02 2.16 7.08 -1.88 0.12 115.58 123.08 1h54 h ASN 577 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1h54 h ASN 577 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.59 1h54 h ASN 577 CO 0.01 0.08 -0.75 0.00 -2.08 0.00 0.00 177.43 174.69 1h54 n GLN 578 N -3.32 0.51 0.00 4.14 6.02 -0.87 -4.64 117.38 119.22 1h54 n GLN 578 Ca -0.01 -0.42 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1h54 n GLN 578 Cb 0.28 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1h54 n GLN 578 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1h54 n ASN 579 N -0.88 3.18 -4.69 1.08 4.13 -0.97 -5.04 115.26 112.08 1h54 n ASN 579 Ca 0.06 -0.03 -0.28 0.00 1.68 0.00 0.00 54.58 56.02 1h54 n ASN 579 Cb 0.39 0.70 -0.07 0.00 -1.54 0.00 0.00 39.78 39.25 1h54 n ASN 579 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1h54 s TRP 580 N -1.33 2.93 0.45 3.10 0.51 -0.01 -5.07 118.94 119.52 1h54 s TRP 580 Ca 0.00 -0.09 -0.22 0.00 -2.12 0.00 0.00 56.10 53.68 1h54 s TRP 580 Cb 0.00 -1.45 -0.09 0.00 -0.81 0.00 0.00 33.47 31.13 1h54 s TRP 580 CO 0.00 0.50 1.04 -1.54 -0.51 0.00 0.00 176.95 176.44 1h54 s SER 581 N -2.77 6.51 0.32 2.95 1.04 -1.26 -4.83 113.70 115.66 1h54 s SER 581 Ca 0.27 1.95 0.07 0.00 0.48 0.00 0.00 55.95 58.73 1h54 s SER 581 Cb -0.10 -2.57 0.77 0.00 0.10 0.00 0.00 66.02 64.22 1h54 s SER 581 CO 0.19 -0.66 1.79 -0.25 0.98 0.00 0.00 173.24 175.29 1h54 h TRP 582 N 1.89 1.00 -0.90 5.02 2.91 -1.97 -1.30 115.95 122.60 1h54 h TRP 582 Ca -0.49 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.55 1h54 h TRP 582 Cb 1.22 -0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 29.52 1h54 h TRP 582 CO 0.57 0.25 0.53 0.38 -1.03 0.00 0.00 178.44 179.14 1h54 h ASP 583 N 0.74 1.10 -0.35 2.65 2.03 -2.00 -0.99 116.42 119.60 1h54 h ASP 583 Ca 0.56 -0.08 -0.04 0.00 -0.73 0.00 0.00 57.03 56.74 1h54 h ASP 583 Cb 0.90 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 39.10 1h54 h ASP 583 CO -0.34 0.85 0.05 0.50 -1.03 0.00 0.00 179.24 179.28 1h54 h LYS 584 N 1.25 0.59 -0.38 4.15 3.64 -1.62 -2.21 116.57 121.99 1h54 h LYS 584 Ca 0.32 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1h54 h LYS 584 Cb -0.03 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1h54 h LYS 584 CO -0.06 0.66 0.16 0.82 -2.27 0.00 0.00 179.45 178.77 1h54 h ILE 585 N 0.42 0.93 0.06 2.00 2.04 -1.12 -1.90 117.51 119.94 1h54 h ILE 585 Ca 0.11 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1h54 h ILE 585 Cb 0.37 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1h54 h ILE 585 CO 0.01 0.06 -0.03 -0.07 0.00 0.00 0.00 178.15 178.12 1h54 h LEU 586 N 0.33 -0.07 -0.61 1.44 3.38 -0.97 -3.10 115.31 115.72 1h54 h LEU 586 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1h54 h LEU 586 Cb 0.11 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1h54 h LEU 586 CO -0.14 0.00 0.00 0.08 0.09 0.00 0.00 178.44 178.47 1h54 h ARG 587 N -0.13 0.00 -7.29 1.13 0.11 -1.37 -3.44 114.38 103.40 1h54 h ARG 587 Ca -0.01 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.59 1h54 h ARG 587 Cb 0.10 0.00 0.17 0.00 1.11 0.00 0.00 29.97 31.35 1h54 h ARG 587 CO 0.01 0.00 0.20 -1.54 0.10 0.00 0.00 179.97 178.74 1h54 s SER 588 N -5.69 2.90 -0.01 0.08 1.04 -0.72 -4.72 113.70 106.58 1h54 s SER 588 Ca 0.05 1.58 0.09 0.00 0.48 0.00 0.00 55.95 58.15 1h54 s SER 588 Cb 0.08 -2.24 0.29 0.00 0.10 0.00 0.00 66.02 64.25 1h54 s SER 588 CO 0.59 -3.01 1.21 -0.81 0.98 0.00 0.00 173.24 172.20 1h54 n PRO 589 N -4.13 1.85 -2.93 4.02 -0.04 -1.26 -4.91 135.00 127.59 1h54 n PRO 589 Ca 0.07 -1.16 -0.41 0.00 -0.04 0.00 0.00 63.50 61.96 1h54 n PRO 589 Cb 0.55 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.65 1h54 n PRO 589 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1h54 s TYR 590 N -1.60 3.55 -0.22 0.54 1.51 -1.26 -4.87 117.35 115.01 1h54 s TYR 590 Ca 0.21 1.35 -0.12 0.00 -1.01 0.00 0.00 57.07 57.50 1h54 s TYR 590 Cb 0.12 -2.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 1h54 s TYR 590 CO 0.13 -0.02 0.24 0.42 -1.11 0.00 0.00 175.55 175.22 1h54 s ILE 591 N 1.19 5.31 0.16 2.71 1.01 -0.18 -4.85 121.20 126.56 1h54 s ILE 591 Ca 0.41 0.37 -0.10 0.00 0.00 0.00 0.00 60.65 61.33 1h54 s ILE 591 Cb -0.18 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1h54 s ILE 591 CO 0.19 0.33 1.58 0.50 0.00 0.00 0.00 174.94 177.54 1h54 h LYS 592 N 7.31 1.02 -2.75 2.79 3.64 -1.90 0.36 116.57 127.04 1h54 h LYS 592 Ca -0.38 -0.39 0.08 0.00 -1.27 0.00 0.00 60.65 58.69 1h54 h LYS 592 Cb 1.16 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1h54 h LYS 592 CO 0.69 1.08 0.41 1.14 -2.27 0.00 0.00 179.45 180.51 1h54 s GLN 593 N -4.81 1.74 0.30 1.90 -2.07 -1.26 -1.07 119.66 114.39 1h54 s GLN 593 Ca -0.12 -1.09 -0.29 0.00 -1.82 0.00 0.00 55.36 52.04 1h54 s GLN 593 Cb 0.13 0.50 -0.13 0.00 -1.09 0.00 0.00 33.01 32.42 1h54 s GLN 593 CO 0.86 -0.81 1.23 0.41 -1.32 0.00 0.00 175.29 175.66 1h54 n GLY 594 N -0.58 0.38 0.48 2.60 0.00 -1.26 -4.39 105.19 102.40 1h54 n GLY 594 Ca -0.06 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1h54 n GLY 594 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h54 n ASP 595 N 1.21 0.00 -0.16 1.61 -0.08 -1.26 -4.15 116.55 113.72 1h54 n ASP 595 Ca 0.08 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.27 1h54 n ASP 595 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 1h54 n ASP 595 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1h54 h VAL 596 N 0.00 1.22 0.00 5.18 2.07 -1.93 -2.13 116.25 120.66 1h54 h VAL 596 Ca 0.00 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1h54 h VAL 596 Cb 0.00 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1h54 h VAL 596 CO 0.00 0.27 -0.10 -0.07 0.02 0.00 0.00 177.57 177.68 1h54 h LEU 597 N 0.61 0.00 -0.25 2.57 3.38 -1.94 -1.16 115.31 118.52 1h54 h LEU 597 Ca 0.15 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1h54 h LEU 597 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1h54 h LEU 597 CO -0.00 0.10 -0.32 -0.61 0.09 0.00 0.00 178.44 177.70 1h54 h GLN 598 N 0.00 0.66 -0.25 1.13 5.75 -1.62 -0.75 115.11 120.02 1h54 h GLN 598 Ca -0.00 -0.37 -0.01 0.00 -0.15 0.00 0.00 58.65 58.11 1h54 h GLN 598 Cb 0.39 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1h54 h GLN 598 CO 0.01 0.99 0.10 0.78 -2.65 0.00 0.00 178.83 178.06 1h54 h GLY 599 N 0.38 0.41 1.20 2.39 0.00 -0.74 -1.23 103.07 105.47 1h54 h GLY 599 Ca 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1h54 h GLY 599 CO 0.08 0.21 0.48 -2.22 0.00 0.00 0.00 176.54 175.08 1h54 h ILE 600 N 0.26 1.22 -0.40 2.60 2.04 -1.21 -1.06 117.51 120.97 1h54 h ILE 600 Ca 0.09 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1h54 h ILE 600 Cb 0.17 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1h54 h ILE 600 CO -0.01 0.23 0.16 -0.25 0.00 0.00 0.00 178.15 178.28 1h54 h TRP 601 N 1.09 0.61 -0.88 1.37 7.01 -0.79 0.50 115.95 124.85 1h54 h TRP 601 Ca 0.28 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 1h54 h TRP 601 Cb -0.05 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 26.78 1h54 h TRP 601 CO 0.00 0.53 0.50 -0.44 -2.79 0.00 0.00 178.44 176.25 1h54 h ASP 602 N 0.51 1.09 -1.68 2.65 3.32 -0.68 -2.99 116.42 118.63 1h54 h ASP 602 Ca 0.13 -0.09 -0.64 0.00 0.02 0.00 0.00 57.03 56.46 1h54 h ASP 602 Cb 0.18 -0.28 -0.38 0.00 0.22 0.00 0.00 39.33 39.08 1h54 h ASP 602 CO -0.01 0.86 -0.24 0.49 -1.72 0.00 0.00 179.24 178.62 1h54 n PHE 603 N -4.37 3.32 -0.05 4.55 3.01 -0.45 -4.86 117.46 118.61 1h54 n PHE 603 Ca 0.09 -2.94 0.14 0.00 1.01 0.00 0.00 57.45 55.75 1h54 n PHE 603 Cb 0.08 -0.40 0.56 0.00 -0.01 0.00 0.00 39.48 39.71 1h54 n PHE 603 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1h54 h ILE 604 N 2.44 0.86 -0.00 4.37 2.10 0.15 -1.25 117.51 126.17 1h54 h ILE 604 Ca 0.37 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 66.21 1h54 h ILE 604 Cb 0.67 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 1h54 h ILE 604 CO 1.00 0.05 -0.25 0.47 -1.08 0.00 0.00 178.15 178.35 1h54 n ASP 605 N -4.45 0.71 -0.37 2.19 8.00 -1.26 -3.90 116.55 117.47 1h54 n ASP 605 Ca 0.09 -0.60 0.14 0.00 0.71 0.00 0.00 54.79 55.13 1h54 n ASP 605 Cb 0.42 0.06 0.54 0.00 -0.02 0.00 0.00 41.12 42.13 1h54 n ASP 605 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1h54 n ASP 606 N -0.94 1.21 -4.26 -2.24 8.00 -0.47 -4.85 116.55 112.99 1h54 n ASP 606 Ca 0.11 -1.29 -0.27 0.00 0.71 0.00 0.00 54.79 54.06 1h54 n ASP 606 Cb 0.32 0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.30 1h54 n ASP 606 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1h54 s TYR 607 N -2.12 1.90 0.77 1.24 1.51 -1.25 -5.13 117.35 114.27 1h54 s TYR 607 Ca 0.36 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.94 1h54 s TYR 607 Cb 0.21 -1.15 0.05 0.00 -0.11 0.00 0.00 41.96 40.96 1h54 s TYR 607 CO 0.38 0.07 1.09 0.95 -1.11 0.00 0.00 175.55 176.93 1h54 s THR 608 N -0.75 3.39 0.36 -0.71 -4.23 -1.26 -4.81 115.64 107.64 1h54 s THR 608 Ca 0.08 0.45 0.06 0.00 -1.18 0.00 0.00 61.69 61.11 1h54 s THR 608 Cb -0.09 -2.98 0.30 0.00 1.34 0.00 0.00 72.50 71.07 1h54 s THR 608 CO 0.01 -0.59 1.94 -0.65 -0.54 0.00 0.00 174.62 174.79 1h54 h PRO 609 N -1.09 0.73 -0.34 3.99 0.11 -1.99 -1.31 132.00 132.11 1h54 h PRO 609 Ca -0.44 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1h54 h PRO 609 Cb 1.23 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1h54 h PRO 609 CO 0.52 0.48 -0.05 0.93 -0.21 0.00 0.00 178.00 179.68 1h54 h GLU 610 N 0.75 0.64 -0.19 1.05 5.08 -1.99 -0.67 114.58 119.25 1h54 h GLU 610 Ca 0.34 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1h54 h GLU 610 Cb 0.35 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1h54 h GLU 610 CO -0.12 0.79 0.09 1.96 -1.00 0.00 0.00 179.01 180.73 1h54 h GLN 611 N 0.43 0.28 -0.77 2.33 4.20 -1.77 -0.90 115.11 118.91 1h54 h GLN 611 Ca 0.09 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1h54 h GLN 611 Cb 0.54 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 1h54 h GLN 611 CO 0.03 0.31 0.51 0.87 -0.67 0.00 0.00 178.83 179.87 1h54 h LYS 612 N 0.18 1.02 0.03 1.46 1.57 -1.22 -1.74 116.57 117.87 1h54 h LYS 612 Ca 0.07 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h54 h LYS 612 Cb 0.13 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1h54 h LYS 612 CO -0.01 0.68 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.32 1h54 h LYS 613 N 1.05 -0.03 -0.14 3.15 3.64 -0.74 -0.86 116.57 122.64 1h54 h LYS 613 Ca 0.28 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1h54 h LYS 613 Cb -0.11 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1h54 h LYS 613 CO -0.06 0.23 -0.08 0.00 -2.27 0.00 0.00 179.45 177.27 1h54 h ALA 614 N 0.67 0.04 -0.52 5.00 0.00 -0.82 -0.23 119.26 123.40 1h54 h ALA 614 Ca -0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1h54 h ALA 614 Cb 0.28 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1h54 h ALA 614 CO 0.01 -0.53 0.11 -0.91 0.00 0.00 0.00 179.25 177.93 1h54 h ASN 615 N -0.07 0.80 0.09 0.00 2.35 -1.34 -2.55 115.58 114.86 1h54 h ASN 615 Ca 0.08 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1h54 h ASN 615 Cb 0.19 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1h54 h ASN 615 CO -0.18 0.84 -0.04 0.15 -1.65 0.00 0.00 177.43 176.54 1h54 h PHE 616 N 0.73 -0.11 -0.23 1.19 3.57 -0.90 -1.18 116.94 120.01 1h54 h PHE 616 Ca 0.16 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1h54 h PHE 616 Cb 0.37 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1h54 h PHE 616 CO 0.03 0.10 0.15 -0.44 -2.23 0.00 0.00 178.31 175.92 1h54 h ASP 617 N -0.32 0.22 0.02 0.41 3.32 -1.06 -0.46 116.42 118.55 1h54 h ASP 617 Ca -0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1h54 h ASP 617 Cb 0.27 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1h54 h ASP 617 CO 0.02 0.16 -0.01 0.15 -1.72 0.00 0.00 179.24 177.84 1h54 h PHE 618 N 0.26 -0.02 0.22 4.55 3.57 -1.32 -3.39 116.94 120.81 1h54 h PHE 618 Ca 0.09 -0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.27 1h54 h PHE 618 Cb 0.04 0.01 0.03 0.00 2.79 0.00 0.00 35.95 38.82 1h54 h PHE 618 CO -0.00 0.68 -1.41 1.88 -2.23 0.00 0.00 178.31 177.23 1h54 h TYR 619 N -0.96 0.90 -0.59 0.41 -1.99 -1.15 -3.37 116.97 110.23 1h54 h TYR 619 Ca -0.00 -0.64 0.10 0.00 2.00 0.00 0.00 58.73 60.18 1h54 h TYR 619 Cb 0.72 -0.04 -0.08 0.00 2.00 0.00 0.00 36.73 39.33 1h54 h TYR 619 CO 0.19 1.50 0.18 1.49 -0.00 0.00 0.00 178.16 181.52 1h54 h GLU 620 N 0.15 0.33 0.00 4.88 4.22 -1.27 -0.36 114.58 122.53 1h54 h GLU 620 Ca -0.23 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.19 1h54 h GLU 620 Cb 2.11 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1h54 h GLU 620 CO 0.26 0.22 0.00 -2.30 -2.18 0.00 0.00 179.01 175.01 1h54 n PRO 621 N -5.05 0.15 0.00 0.92 -0.02 -1.26 -1.40 135.00 128.34 1h54 n PRO 621 Ca 0.08 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 1h54 n PRO 621 Cb 0.29 -1.88 0.07 0.00 -0.02 0.00 0.00 33.50 31.96 1h54 n PRO 621 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1h54 n LEU 622 N -2.18 2.26 -4.69 2.45 4.77 -0.18 -0.90 117.00 118.52 1h54 n LEU 622 Ca 0.01 -0.79 -0.39 0.00 -0.03 0.00 0.00 56.01 54.81 1h54 n LEU 622 Cb 0.13 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1h54 n LEU 622 CO 0.14 0.40 0.20 -0.89 -1.33 0.00 0.00 177.39 175.91 1h54 s THR 623 N -2.31 5.15 -1.66 -5.08 2.01 -0.49 -1.01 115.64 112.25 1h54 s THR 623 Ca 0.23 0.93 0.25 0.00 0.31 0.00 0.00 61.69 63.40 1h54 s THR 623 Cb 0.19 -3.82 0.13 0.00 0.01 0.00 0.00 72.50 69.01 1h54 s THR 623 CO 0.47 0.25 1.39 1.33 -0.69 0.00 0.00 174.62 177.37 1h54 n VAL 624 N 4.16 0.00 -3.81 3.82 0.24 0.12 -4.93 118.33 117.93 1h54 n VAL 624 Ca -0.06 -0.13 -0.24 0.00 -2.04 0.00 0.00 64.34 61.87 1h54 n VAL 624 Cb 0.51 0.61 0.01 0.00 -1.47 0.00 0.00 33.84 33.50 1h54 n VAL 624 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1h54 n HIS 625 N -0.69 -1.88 0.22 6.34 8.25 -1.17 -4.87 115.22 121.43 1h54 n HIS 625 Ca 0.10 0.82 0.04 0.00 -0.26 0.00 0.00 57.72 58.42 1h54 n HIS 625 Cb 0.37 -4.12 0.20 0.00 1.12 0.00 0.00 29.99 27.55 1h54 n HIS 625 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1h54 n GLU 626 N -4.36 2.72 -4.83 -0.41 1.02 -0.24 -4.64 120.64 109.89 1h54 n GLU 626 Ca -0.25 -1.53 -0.27 0.00 -0.02 0.00 0.00 57.16 55.09 1h54 n GLU 626 Cb 0.66 -1.75 -0.16 0.00 -0.02 0.00 0.00 31.44 30.17 1h54 n GLU 626 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1h54 s SER 627 N -0.53 2.21 0.38 1.62 0.15 -1.23 -5.00 113.70 111.30 1h54 s SER 627 Ca 0.27 -0.37 0.26 0.00 0.70 0.00 0.00 55.95 56.81 1h54 s SER 627 Cb 0.19 -0.81 1.37 0.00 -1.71 0.00 0.00 66.02 65.07 1h54 s SER 627 CO 0.10 0.12 1.80 0.77 1.20 0.00 0.00 173.24 177.23 1h54 h SER 628 N 6.55 0.00 -0.17 5.45 4.64 -1.94 -0.99 113.55 127.09 1h54 h SER 628 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1h54 h SER 628 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1h54 h SER 628 CO 0.48 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.62 1h54 n LEU 629 N -2.43 1.28 -0.07 5.97 4.77 -1.26 -4.38 117.00 120.88 1h54 n LEU 629 Ca -0.01 -0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 55.31 1h54 n LEU 629 Cb 0.08 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1h54 n LEU 629 CO 0.13 0.29 -0.25 -1.28 -1.33 0.00 0.00 177.39 174.95 1h54 h SER 630 N 1.60 0.00 -0.70 -1.43 0.87 -1.51 -3.42 113.55 108.97 1h54 h SER 630 Ca 0.00 -0.22 0.15 0.00 -1.23 0.00 0.00 61.79 60.49 1h54 h SER 630 Cb 0.36 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.19 1h54 h SER 630 CO 0.00 0.91 -0.00 1.55 -0.53 0.00 0.00 176.83 178.76 1h54 h PRO 631 N -1.00 0.10 -0.12 2.24 0.13 -1.77 -3.08 132.00 128.51 1h54 h PRO 631 Ca -0.09 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1h54 h PRO 631 Cb 0.65 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.72 1h54 h PRO 631 CO -0.05 0.07 -0.11 0.00 -0.23 0.00 0.00 178.00 177.67 1h54 h ALA 632 N 1.65 -0.03 0.00 -0.56 0.00 -1.81 -0.54 119.26 117.96 1h54 h ALA 632 Ca 0.37 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 1h54 h ALA 632 Cb 0.63 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1h54 h ALA 632 CO -0.61 -0.57 -0.29 -0.84 0.00 0.00 0.00 179.25 176.94 1h54 h ILE 633 N -0.14 1.20 -0.02 0.00 -0.00 -1.78 -1.61 117.51 115.15 1h54 h ILE 633 Ca 0.08 -1.01 -0.12 0.00 -0.00 0.00 0.00 64.86 63.82 1h54 h ILE 633 Cb 0.26 1.54 -0.02 0.00 -0.00 0.00 0.00 36.82 38.61 1h54 h ILE 633 CO -0.20 0.29 -0.55 0.45 -0.00 0.00 0.00 178.15 178.14 1h54 h HIS 634 N 0.00 0.08 -0.13 0.16 3.86 -1.33 -1.76 115.15 116.04 1h54 h HIS 634 Ca -0.00 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1h54 h HIS 634 Cb 0.52 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1h54 h HIS 634 CO 0.00 0.60 -0.01 1.03 0.86 0.00 0.00 177.93 180.41 1h54 h SER 635 N 0.05 0.23 0.32 2.45 0.87 -0.20 -1.20 113.55 116.09 1h54 h SER 635 Ca -0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1h54 h SER 635 Cb 0.98 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 1h54 h SER 635 CO 0.07 0.50 -0.36 0.58 -0.53 0.00 0.00 176.83 177.10 1h54 h VAL 636 N -0.04 0.27 -0.99 2.23 2.07 -1.22 0.15 116.25 118.71 1h54 h VAL 636 Ca 0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.71 1h54 h VAL 636 Cb 0.38 0.27 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 1h54 h VAL 636 CO 0.01 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.15 1h54 h LEU 637 N -0.72 0.84 -0.39 2.57 3.38 -1.30 0.24 115.31 119.95 1h54 h LEU 637 Ca -0.02 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1h54 h LEU 637 Cb 0.66 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1h54 h LEU 637 CO -0.08 0.39 0.06 0.00 0.09 0.00 0.00 178.44 178.90 1h54 h ALA 638 N 1.59 0.51 -0.59 1.53 0.00 -0.66 -1.85 119.26 119.78 1h54 h ALA 638 Ca 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1h54 h ALA 638 Cb 0.68 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1h54 h ALA 638 CO -0.30 0.22 0.34 0.00 0.00 0.00 0.00 179.25 179.51 1h54 h ALA 639 N 0.92 0.76 -0.82 0.00 0.00 0.52 0.13 119.26 120.77 1h54 h ALA 639 Ca 0.12 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1h54 h ALA 639 Cb 0.36 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1h54 h ALA 639 CO 0.01 0.26 0.53 0.22 0.00 0.00 0.00 179.25 180.27 1h54 h ASP 640 N 0.80 0.64 -0.21 0.00 3.58 -0.28 0.94 116.42 121.89 1h54 h ASP 640 Ca 0.21 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1h54 h ASP 640 Cb 0.02 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1h54 h ASP 640 CO -0.04 0.36 0.00 0.18 -2.88 0.00 0.00 179.24 176.86 1h54 n LEU 641 N -4.52 1.70 -0.69 2.28 4.77 -0.71 -4.92 117.00 114.92 1h54 n LEU 641 Ca 0.14 -0.75 -0.09 0.00 -0.03 0.00 0.00 56.01 55.28 1h54 n LEU 641 Cb 0.38 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1h54 n LEU 641 CO 0.31 0.38 -0.09 1.41 -1.33 0.00 0.00 177.39 178.07 1h54 n HIS 642 N 0.36 0.00 -2.44 -1.77 8.25 0.33 -4.92 115.22 115.03 1h54 n HIS 642 Ca 0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.18 1h54 n HIS 642 Cb 0.32 -1.79 0.00 0.00 1.12 0.00 0.00 29.99 29.64 1h54 n HIS 642 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1h54 n TYR 643 N -2.73 3.70 0.02 4.41 0.53 0.38 -4.80 117.16 118.66 1h54 n TYR 643 Ca -0.09 -2.97 -0.11 0.00 -1.02 0.00 0.00 57.90 53.71 1h54 n TYR 643 Cb 0.30 -2.14 -0.05 0.00 -1.03 0.00 0.00 39.34 36.41 1h54 n TYR 643 CO 0.00 0.00 0.00 0.93 -1.02 0.00 0.00 176.86 176.77 1h54 h GLU 644 N 6.29 -0.07 -0.78 -0.72 5.08 -1.89 -0.37 114.58 122.12 1h54 h GLU 644 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1h54 h GLU 644 Cb 0.71 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1h54 h GLU 644 CO 1.55 -0.05 0.50 -0.44 -1.00 0.00 0.00 179.01 179.57 1h54 h ASP 645 N -0.07 0.91 -0.35 1.42 3.32 -1.97 -1.43 116.42 118.25 1h54 h ASP 645 Ca 0.04 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1h54 h ASP 645 Cb 0.13 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1h54 h ASP 645 CO -0.10 0.67 -0.05 0.50 -1.72 0.00 0.00 179.24 178.55 1h54 h LYS 646 N 1.06 0.75 -0.43 3.56 1.63 -1.91 -1.57 116.57 119.66 1h54 h LYS 646 Ca 0.28 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1h54 h LYS 646 Cb -0.09 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.44 1h54 h LYS 646 CO -0.06 0.79 0.20 0.00 -3.45 0.00 0.00 179.45 176.93 1h54 h ALA 647 N 1.25 0.56 -0.60 5.00 0.00 -0.49 -0.91 119.26 124.06 1h54 h ALA 647 Ca 0.13 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1h54 h ALA 647 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1h54 h ALA 647 CO 0.03 0.13 0.10 0.28 0.00 0.00 0.00 179.25 179.79 1h54 h VAL 648 N 0.55 1.26 -0.06 0.00 2.07 -1.08 0.12 116.25 119.11 1h54 h VAL 648 Ca 0.15 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1h54 h VAL 648 Cb 0.14 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1h54 h VAL 648 CO -0.02 0.36 0.02 -0.08 0.02 0.00 0.00 177.57 177.88 1h54 h GLU 649 N 0.90 0.05 -0.12 1.57 4.81 -1.05 -1.56 114.58 119.18 1h54 h GLU 649 Ca 0.18 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1h54 h GLU 649 Cb 0.42 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1h54 h GLU 649 CO 0.01 0.03 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.08 1h54 h LEU 650 N 0.05 0.18 -0.48 1.64 3.38 -0.96 -2.19 115.31 116.94 1h54 h LEU 650 Ca 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1h54 h LEU 650 Cb 0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1h54 h LEU 650 CO -0.02 0.37 0.27 0.22 0.09 0.00 0.00 178.44 179.37 1h54 h TYR 651 N 0.18 0.66 -0.80 1.13 3.20 -0.13 -2.43 116.97 118.79 1h54 h TYR 651 Ca 0.04 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1h54 h TYR 651 Cb 0.41 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1h54 h TYR 651 CO 0.01 0.48 0.31 0.77 -1.64 0.00 0.00 178.16 178.09 1h54 h SER 652 N 0.64 1.11 -0.05 -2.11 0.02 -0.74 0.17 113.55 112.59 1h54 h SER 652 Ca 0.17 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1h54 h SER 652 Cb 0.03 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1h54 h SER 652 CO -0.03 0.98 -0.01 -0.09 -1.14 0.00 0.00 176.83 176.54 1h54 h ARG 653 N 1.16 0.17 0.03 3.45 2.43 -1.04 -0.36 114.38 120.22 1h54 h ARG 653 Ca 0.26 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 59.13 1h54 h ARG 653 Cb 0.23 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1h54 h ARG 653 CO -0.02 0.20 -1.55 -2.37 -1.51 0.00 0.00 179.97 174.72 1h54 n THR 654 N -4.42 1.59 0.00 0.20 5.66 -0.95 -2.64 114.28 113.72 1h54 n THR 654 Ca -0.01 -0.20 0.07 0.00 -3.05 0.00 0.00 64.05 60.86 1h54 n THR 654 Cb 0.16 -1.95 0.48 0.00 -1.55 0.00 0.00 70.33 67.47 1h54 n THR 654 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1h54 h ALA 655 N -0.41 1.86 -0.09 1.79 0.00 -0.67 -2.53 119.26 119.22 1h54 h ALA 655 Ca -0.40 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1h54 h ALA 655 Cb 1.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1h54 h ALA 655 CO -0.16 0.08 -0.30 0.54 0.00 0.00 0.00 179.25 179.40 1h54 n ARG 656 N -4.48 1.65 -0.00 0.00 1.74 -0.15 -4.47 116.66 110.96 1h54 n ARG 656 Ca 0.05 -3.13 -0.09 0.00 -0.77 0.00 0.00 57.85 53.90 1h54 n ARG 656 Cb 0.18 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 1h54 n ARG 656 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1h54 h LEU 657 N 0.86 -0.67 0.06 0.55 7.12 -1.21 -1.07 115.31 120.96 1h54 h LEU 657 Ca 0.05 0.11 -0.11 0.00 0.13 0.00 0.00 57.88 58.06 1h54 h LEU 657 Cb 1.16 0.30 0.01 0.00 -0.53 0.00 0.00 40.66 41.61 1h54 h LEU 657 CO 0.09 -0.27 -0.48 0.44 -0.13 0.00 0.00 178.44 178.10 1h54 h ASP 658 N -0.27 0.31 -0.85 1.25 3.45 -1.87 0.45 116.42 118.90 1h54 h ASP 658 Ca 0.10 -0.90 0.18 0.00 0.43 0.00 0.00 57.03 56.83 1h54 h ASP 658 Cb 0.42 -0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 39.03 1h54 h ASP 658 CO -0.29 1.19 0.56 -0.07 -1.57 0.00 0.00 179.24 179.06 1h54 h LEU 659 N -0.51 0.42 -3.05 1.55 3.38 -1.86 -0.54 115.31 114.69 1h54 h LEU 659 Ca -0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1h54 h LEU 659 Cb 1.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1h54 h LEU 659 CO 0.09 0.19 0.00 0.47 0.09 0.00 0.00 178.44 179.28 1h54 n ASP 660 N -4.50 3.27 -4.20 -0.43 8.00 -0.41 -4.41 116.55 113.88 1h54 n ASP 660 Ca 0.17 -2.47 -0.30 0.00 0.71 0.00 0.00 54.79 52.90 1h54 n ASP 660 Cb 0.61 -0.36 -0.07 0.00 -0.02 0.00 0.00 41.12 41.29 1h54 n ASP 660 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1h54 n ASN 661 N -0.04 0.08 -0.35 -2.24 5.15 -0.21 0.06 115.26 117.71 1h54 n ASN 661 Ca 0.15 -1.16 0.10 0.00 -0.60 0.00 0.00 54.58 53.07 1h54 n ASN 661 Cb 0.62 -2.19 0.28 0.00 -0.53 0.00 0.00 39.78 37.96 1h54 n ASN 661 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1h54 h TYR 662 N -1.73 1.07 -0.56 1.20 -1.99 -1.16 -1.68 116.97 112.11 1h54 h TYR 662 Ca -0.64 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.12 1h54 h TYR 662 Cb 1.39 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 39.79 1h54 h TYR 662 CO 0.53 0.32 0.00 0.09 -0.00 0.00 0.00 178.16 179.09 1h54 n ASN 663 N -4.72 3.28 -4.00 3.88 3.02 -1.26 -4.68 115.26 110.78 1h54 n ASN 663 Ca 0.21 -2.09 -0.32 0.00 -0.03 0.00 0.00 54.58 52.35 1h54 n ASN 663 Cb 0.47 -0.42 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 1h54 n ASN 663 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1h54 n ASN 664 N 1.10 -4.00 -0.33 6.41 4.05 -0.63 -4.82 115.26 117.03 1h54 n ASN 664 Ca 0.20 -0.86 0.00 0.00 0.45 0.00 0.00 54.58 54.36 1h54 n ASN 664 Cb 0.55 -3.51 0.00 0.00 1.23 0.00 0.00 39.78 38.05 1h54 n ASN 664 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1h54 n ASP 665 N -2.80 0.00 0.00 1.20 5.75 -1.26 -4.85 116.55 114.59 1h54 n ASP 665 Ca 0.02 -1.38 0.11 0.00 -0.01 0.00 0.00 54.79 53.52 1h54 n ASP 665 Cb 0.53 -0.08 0.60 0.00 -1.03 0.00 0.00 41.12 41.14 1h54 n ASP 665 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1h54 n THR 666 N 0.00 0.11 0.28 2.12 -1.04 -1.26 -1.84 114.28 112.64 1h54 n THR 666 Ca 0.00 0.03 0.16 0.00 -2.04 0.00 0.00 64.05 62.20 1h54 n THR 666 Cb 0.58 -0.69 0.60 0.00 -1.82 0.00 0.00 70.33 69.00 1h54 n THR 666 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1h54 h THR 667 N 0.00 0.00 -0.00 12.58 1.35 -1.89 -2.00 112.91 122.95 1h54 h THR 667 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1h54 h THR 667 Cb 0.05 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1h54 h THR 667 CO 0.00 0.00 -0.25 0.47 -0.25 0.00 0.00 175.52 175.49 1h54 n ASP 668 N -3.04 0.61 0.00 5.36 8.00 -0.77 -4.65 116.55 122.07 1h54 n ASP 668 Ca 0.01 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1h54 n ASP 668 Cb 0.33 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1h54 n ASP 668 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h54 n GLY 669 N 1.38 1.16 3.82 0.44 0.00 -0.75 -4.20 105.19 107.03 1h54 n GLY 669 Ca 0.11 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 1h54 n GLY 669 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h54 s LEU 670 N 0.00 3.90 -1.20 0.99 1.02 -1.26 -4.45 118.68 117.68 1h54 s LEU 670 Ca 0.00 1.69 -0.09 0.00 0.02 0.00 0.00 54.13 55.75 1h54 s LEU 670 Cb 0.00 -4.54 0.22 0.00 0.02 0.00 0.00 46.19 41.89 1h54 s LEU 670 CO 0.00 -0.41 1.58 1.41 0.02 0.00 0.00 176.35 178.95 1h54 n HIS 671 N -0.77 3.58 -0.02 0.29 8.25 -1.26 -4.28 115.22 121.02 1h54 n HIS 671 Ca 0.07 -3.03 -0.10 0.00 -0.26 0.00 0.00 57.72 54.40 1h54 n HIS 671 Cb 0.54 -1.81 -0.03 0.00 1.12 0.00 0.00 29.99 29.81 1h54 n HIS 671 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1h54 h ILE 672 N 3.87 0.34 0.00 1.59 1.08 -1.36 -1.17 117.51 121.85 1h54 h ILE 672 Ca 0.30 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.77 1h54 h ILE 672 Cb 0.72 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1h54 h ILE 672 CO 1.38 0.00 -0.00 0.71 -0.69 0.00 0.00 178.15 179.55 1h54 h THR 673 N -0.33 0.22 0.00 -0.27 1.35 -1.64 0.21 112.91 112.46 1h54 h THR 673 Ca 0.11 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1h54 h THR 673 Cb 0.51 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1h54 h THR 673 CO -0.36 0.00 -0.20 -0.24 -0.25 0.00 0.00 175.52 174.47 1h54 n SER 674 N -3.40 0.24 0.00 5.36 2.88 -0.48 -3.46 113.62 114.76 1h54 n SER 674 Ca -0.03 0.24 0.04 0.00 -1.33 0.00 0.00 58.87 57.79 1h54 n SER 674 Cb 0.08 -0.24 0.20 0.00 -0.75 0.00 0.00 64.21 63.51 1h54 n SER 674 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1h54 n MET 675 N -1.57 0.05 0.23 -1.46 2.00 0.75 -1.04 117.12 116.09 1h54 n MET 675 Ca 0.06 0.29 0.13 0.00 0.00 0.00 0.00 57.70 58.18 1h54 n MET 675 Cb 0.35 -1.50 0.26 0.00 0.00 0.00 0.00 33.22 32.32 1h54 n MET 675 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1h54 h THR 676 N 0.00 0.00 -0.02 2.03 1.35 -1.72 -3.38 112.91 111.16 1h54 h THR 676 Ca 0.00 -0.91 0.04 0.00 -0.55 0.00 0.00 66.41 64.98 1h54 h THR 676 Cb 0.12 1.91 -0.05 0.00 -1.73 0.00 0.00 68.15 68.40 1h54 h THR 676 CO 0.00 0.00 -0.30 1.23 -0.25 0.00 0.00 175.52 176.20 1h54 h GLY 677 N 3.70 -0.47 0.64 5.82 0.00 -1.36 -2.78 103.07 108.63 1h54 h GLY 677 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.76 1h54 h GLY 677 CO 0.00 -0.22 0.38 0.00 0.00 0.00 0.00 176.54 176.69 1h54 h ALA 678 N 0.34 0.93 -0.44 3.60 0.00 -1.80 -0.62 119.26 121.26 1h54 h ALA 678 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1h54 h ALA 678 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1h54 h ALA 678 CO -0.27 0.04 0.21 2.35 0.00 0.00 0.00 179.25 181.58 1h54 h TRP 679 N 0.68 0.64 -0.52 0.00 7.01 -1.80 -0.62 115.95 121.35 1h54 h TRP 679 Ca 0.31 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 1h54 h TRP 679 Cb 0.22 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 1h54 h TRP 679 CO -0.08 0.52 0.29 0.82 -2.79 0.00 0.00 178.44 177.20 1h54 h ILE 680 N 0.58 1.17 -0.60 2.65 2.04 -1.16 0.98 117.51 123.16 1h54 h ILE 680 Ca 0.15 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1h54 h ILE 680 Cb 0.12 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1h54 h ILE 680 CO -0.02 0.18 0.23 0.00 0.00 0.00 0.00 178.15 178.54 1h54 h ALA 681 N 1.13 0.78 -0.09 1.87 0.00 -0.85 0.66 119.26 122.77 1h54 h ALA 681 Ca 0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1h54 h ALA 681 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1h54 h ALA 681 CO -0.03 0.41 -0.12 0.28 0.00 0.00 0.00 179.25 179.79 1h54 h VAL 682 N 0.84 1.38 0.00 0.00 2.07 -0.91 0.17 116.25 119.81 1h54 h VAL 682 Ca 0.20 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1h54 h VAL 682 Cb 0.22 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1h54 h VAL 682 CO -0.01 0.38 -0.13 0.58 0.02 0.00 0.00 177.57 178.41 1h54 h VAL 683 N -0.20 0.44 -0.25 2.57 2.07 -0.80 -0.64 116.25 119.45 1h54 h VAL 683 Ca 0.01 -1.36 -0.16 0.00 0.82 0.00 0.00 66.70 66.02 1h54 h VAL 683 Cb 0.67 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1h54 h VAL 683 CO 0.03 0.15 -0.49 1.56 0.02 0.00 0.00 177.57 178.84 1h54 h GLN 684 N -1.00 0.66 0.00 1.57 4.20 -1.06 -1.85 115.11 117.64 1h54 h GLN 684 Ca -0.02 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1h54 h GLN 684 Cb 0.35 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1h54 h GLN 684 CO -0.01 1.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.56 1h54 n GLY 685 N 0.18 1.58 0.24 3.46 0.00 -0.86 -2.75 105.19 107.06 1h54 n GLY 685 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 1h54 n GLY 685 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1h54 h PHE 686 N 0.00 0.40 0.00 1.61 0.05 -0.48 -1.57 116.94 116.95 1h54 h PHE 686 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1h54 h PHE 686 Cb 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 37.87 1h54 h PHE 686 CO 0.00 0.07 -0.21 0.00 -0.18 0.00 0.00 178.31 177.99 1h54 n ALA 687 N -2.50 2.84 -2.90 2.45 0.00 -0.26 -1.41 120.51 118.73 1h54 n ALA 687 Ca 0.10 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 1h54 n ALA 687 Cb 0.31 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.46 1h54 n ALA 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h54 n GLY 688 N 1.50 -0.52 3.74 0.00 0.00 -0.59 -1.36 105.19 107.95 1h54 n GLY 688 Ca 0.06 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1h54 n GLY 688 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1h54 s MET 689 N -5.57 4.38 0.01 1.61 0.00 -0.72 -3.72 119.30 115.29 1h54 s MET 689 Ca 0.24 2.06 -0.14 0.00 0.00 0.00 0.00 55.69 57.85 1h54 s MET 689 Cb -0.11 -3.20 0.02 0.00 0.00 0.00 0.00 34.83 31.54 1h54 s MET 689 CO 0.29 -0.28 0.29 1.03 0.00 0.00 0.00 175.02 176.35 1h54 s ARG 690 N 0.01 0.69 -0.23 4.11 1.81 0.16 -4.60 118.95 120.90 1h54 s ARG 690 Ca 0.58 -0.32 -0.04 0.00 -1.72 0.00 0.00 55.73 54.23 1h54 s ARG 690 Cb -0.37 0.30 0.00 0.00 -0.45 0.00 0.00 34.95 34.44 1h54 s ARG 690 CO 0.37 -0.20 -0.04 0.08 -0.68 0.00 0.00 175.30 174.84 1h54 s VAL 691 N -1.73 3.31 -0.06 3.52 1.01 -1.26 -0.51 120.40 124.69 1h54 s VAL 691 Ca -0.11 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1h54 s VAL 691 Cb -0.04 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1h54 s VAL 691 CO 0.02 0.35 -0.10 -0.13 0.00 0.00 0.00 175.10 175.23 1h54 s ARG 692 N 1.45 1.41 -1.52 2.72 0.52 -0.69 -4.84 118.95 118.00 1h54 s ARG 692 Ca 0.04 -0.32 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 1h54 s ARG 692 Cb -0.15 -1.22 0.04 0.00 0.52 0.00 0.00 34.95 34.14 1h54 s ARG 692 CO -0.03 0.00 0.09 -0.40 0.02 0.00 0.00 175.30 174.98 1h54 n ASP 693 N 3.85 0.49 0.00 0.23 5.68 -1.26 -0.72 116.55 124.82 1h54 n ASP 693 Ca -0.24 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1h54 n ASP 693 Cb 0.52 -1.51 0.00 0.00 -1.14 0.00 0.00 41.12 38.99 1h54 n ASP 693 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h54 n GLY 694 N -2.27 1.13 3.19 6.12 0.00 -1.26 -5.04 105.19 107.06 1h54 n GLY 694 Ca -0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1h54 n GLY 694 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h54 s GLN 695 N -0.13 1.06 0.21 1.61 -2.07 0.10 -5.12 119.66 115.33 1h54 s GLN 695 Ca 0.00 -0.86 -0.30 0.00 -1.82 0.00 0.00 55.36 52.39 1h54 s GLN 695 Cb 0.00 -1.12 -0.08 0.00 -1.09 0.00 0.00 33.01 30.71 1h54 s GLN 695 CO 0.00 0.28 1.18 -0.51 -1.32 0.00 0.00 175.29 174.92 1h54 s LEU 696 N -1.26 4.47 0.00 2.60 1.43 -1.26 -1.71 118.68 122.95 1h54 s LEU 696 Ca 0.03 2.26 0.03 0.00 -1.03 0.00 0.00 54.13 55.42 1h54 s LEU 696 Cb -0.08 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1h54 s LEU 696 CO 0.02 -0.34 -0.09 -2.28 0.23 0.00 0.00 176.35 173.89 1h54 s HIS 697 N -0.30 0.82 0.07 0.29 5.65 0.34 -0.55 115.29 121.61 1h54 s HIS 697 Ca 0.51 -0.20 0.01 0.00 0.25 0.00 0.00 55.06 55.64 1h54 s HIS 697 Cb -0.33 -0.52 -0.04 0.00 -1.18 0.00 0.00 32.58 30.52 1h54 s HIS 697 CO 0.38 -0.01 -0.06 0.71 -0.65 0.00 0.00 174.74 175.11 1h54 s TYR 698 N -0.37 0.74 -0.48 3.88 1.51 -0.05 -0.66 117.35 121.92 1h54 s TYR 698 Ca 0.02 -0.84 0.06 0.00 -1.01 0.00 0.00 57.07 55.30 1h54 s TYR 698 Cb -0.04 -0.45 0.24 0.00 -0.11 0.00 0.00 41.96 41.59 1h54 s TYR 698 CO -0.00 -0.18 0.89 0.00 -1.11 0.00 0.00 175.55 175.15 1h54 n ALA 699 N 0.39 -1.62 -1.69 3.71 0.00 -0.46 -0.33 120.51 120.50 1h54 n ALA 699 Ca -0.15 -1.28 -0.34 0.00 0.00 0.00 0.00 53.44 51.67 1h54 n ALA 699 Cb 0.59 -1.49 0.01 0.00 0.00 0.00 0.00 19.45 18.56 1h54 n ALA 699 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1h54 s PRO 700 N 0.69 3.32 0.10 0.00 0.02 -1.08 -4.12 135.00 133.93 1h54 s PRO 700 Ca 0.31 1.40 0.03 0.00 0.02 0.00 0.00 61.00 62.76 1h54 s PRO 700 Cb 0.20 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 1h54 s PRO 700 CO -0.22 -0.83 -0.08 -0.59 -0.33 0.00 0.00 177.00 174.95 1h54 s PHE 701 N -2.12 0.98 -0.20 6.54 -0.12 -0.50 -4.95 117.98 117.61 1h54 s PHE 701 Ca 0.68 -0.76 -0.03 0.00 -0.05 0.00 0.00 56.93 56.77 1h54 s PHE 701 Cb -0.19 -0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 41.65 1h54 s PHE 701 CO 0.31 -0.06 -0.08 -1.17 -0.05 0.00 0.00 175.22 174.18 1h54 s LEU 702 N -2.72 2.74 0.11 -1.99 2.96 -1.26 -4.67 118.68 113.84 1h54 s LEU 702 Ca 0.08 -0.43 -0.36 0.00 -0.22 0.00 0.00 54.13 53.20 1h54 s LEU 702 Cb 0.01 -1.68 -0.16 0.00 0.50 0.00 0.00 46.19 44.85 1h54 s LEU 702 CO -0.02 0.00 1.32 -2.65 -1.32 0.00 0.00 176.35 173.68 1h54 n PRO 703 N 4.65 1.19 0.15 0.98 -0.02 -1.26 -4.76 135.00 135.92 1h54 n PRO 703 Ca -0.19 0.43 0.18 0.00 -2.02 0.00 0.00 63.50 61.90 1h54 n PRO 703 Cb 0.51 -2.05 0.77 0.00 -0.02 0.00 0.00 33.50 32.71 1h54 n PRO 703 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1h54 h LYS 704 N 4.38 0.00 -0.13 -0.52 2.10 -1.97 0.15 116.57 120.57 1h54 h LYS 704 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1h54 h LYS 704 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1h54 h LYS 704 CO 0.77 0.00 0.00 -2.37 -2.00 0.00 0.00 179.45 175.85 1h54 n THR 705 N -3.94 0.17 -4.33 0.07 5.66 -1.26 -4.89 114.28 105.76 1h54 n THR 705 Ca 0.04 -0.23 -0.28 0.00 -3.05 0.00 0.00 64.05 60.53 1h54 n THR 705 Cb 0.42 0.12 -0.11 0.00 -1.55 0.00 0.00 70.33 69.22 1h54 n THR 705 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1h54 s TRP 706 N -1.83 2.49 -0.08 1.09 0.52 0.52 -4.52 118.94 117.13 1h54 s TRP 706 Ca 0.26 -0.28 0.00 0.00 0.02 0.00 0.00 56.10 56.10 1h54 s TRP 706 Cb 0.13 -1.28 -0.25 0.00 -1.15 0.00 0.00 33.47 30.92 1h54 s TRP 706 CO 0.20 0.44 0.54 1.15 0.02 0.00 0.00 176.95 179.30 1h54 h THR 707 N 3.30 0.77 -1.07 2.01 2.02 -0.89 -3.45 112.91 115.60 1h54 h THR 707 Ca -0.48 -2.52 0.37 0.00 0.77 0.00 0.00 66.41 64.54 1h54 h THR 707 Cb 1.19 2.52 -0.16 0.00 -1.74 0.00 0.00 68.15 69.96 1h54 h THR 707 CO 0.48 0.75 0.97 -0.94 0.37 0.00 0.00 175.52 177.16 1h54 s SER 708 N -6.73 -0.01 -0.16 4.18 1.04 -1.12 -4.20 113.70 106.70 1h54 s SER 708 Ca -0.15 -0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 1h54 s SER 708 Cb 0.07 0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1h54 s SER 708 CO 0.80 -0.04 0.42 -0.72 0.98 0.00 0.00 173.24 174.68 1h54 s TYR 709 N -2.06 -0.53 -0.02 5.02 -0.85 -0.95 -1.20 117.35 116.76 1h54 s TYR 709 Ca 0.14 1.21 0.03 0.00 -0.52 0.00 0.00 57.07 57.93 1h54 s TYR 709 Cb 0.05 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.60 1h54 s TYR 709 CO -0.05 -0.28 -0.12 0.99 -1.52 0.00 0.00 175.55 174.57 1h54 s THR 710 N 0.80 0.94 0.16 -3.49 2.01 0.49 -0.78 115.64 115.77 1h54 s THR 710 Ca -0.05 -0.49 -0.08 0.00 0.31 0.00 0.00 61.69 61.39 1h54 s THR 710 Cb -0.06 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 1h54 s THR 710 CO -0.06 0.27 0.26 0.72 -0.69 0.00 0.00 174.62 175.12 1h54 s PHE 711 N -0.13 0.44 -0.02 4.92 -0.12 -0.39 -0.47 117.98 122.21 1h54 s PHE 711 Ca 0.02 -0.81 0.08 0.00 -0.05 0.00 0.00 56.93 56.17 1h54 s PHE 711 Cb -0.06 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 1h54 s PHE 711 CO -0.00 -0.69 -0.26 1.03 -0.05 0.00 0.00 175.22 175.25 1h54 s ARG 712 N -3.97 2.10 -0.00 1.99 0.52 -1.26 -0.69 118.95 117.64 1h54 s ARG 712 Ca 0.17 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.49 1h54 s ARG 712 Cb 0.04 -2.05 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 1h54 s ARG 712 CO -0.00 0.56 -0.12 -1.14 0.02 0.00 0.00 175.30 174.62 1h54 s GLN 713 N -0.66 0.91 -0.19 3.54 0.74 0.40 -4.80 119.66 119.59 1h54 s GLN 713 Ca 0.10 -0.46 -0.15 0.00 0.05 0.00 0.00 55.36 54.91 1h54 s GLN 713 Cb -0.10 -0.88 -0.04 0.00 1.10 0.00 0.00 33.01 33.09 1h54 s GLN 713 CO -0.01 0.24 0.35 0.08 -0.55 0.00 0.00 175.29 175.40 1h54 s VAL 714 N -0.37 5.24 -0.19 1.34 1.01 0.18 -1.09 120.40 126.53 1h54 s VAL 714 Ca 0.04 0.62 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 1h54 s VAL 714 Cb -0.05 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.75 1h54 s VAL 714 CO -0.00 0.30 0.30 0.12 0.00 0.00 0.00 175.10 175.81 1h54 s PHE 715 N 1.03 -0.52 -1.21 5.22 5.36 -0.39 -4.62 117.98 122.84 1h54 s PHE 715 Ca 0.17 0.71 -0.35 0.00 -0.96 0.00 0.00 56.93 56.51 1h54 s PHE 715 Cb -0.14 -0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.48 1h54 s PHE 715 CO 0.07 -0.56 0.69 0.54 -1.46 0.00 0.00 175.22 174.49 1h54 n ARG 716 N 5.35 -0.27 -1.31 10.12 1.74 -1.26 -1.19 116.66 129.84 1h54 n ARG 716 Ca -0.05 0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 57.01 1h54 n ARG 716 Cb 0.50 -2.58 -0.05 0.00 -1.02 0.00 0.00 32.46 29.31 1h54 n ARG 716 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1h54 n ASP 717 N -2.17 -4.33 -4.28 0.55 8.00 -1.26 -4.96 116.55 108.10 1h54 n ASP 717 Ca -0.11 0.26 -0.25 0.00 0.71 0.00 0.00 54.79 55.40 1h54 n ASP 717 Cb 0.56 -2.77 -0.13 0.00 -0.02 0.00 0.00 41.12 38.76 1h54 n ASP 717 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1h54 s ARG 718 N -2.87 1.30 -0.20 -1.24 1.81 -0.33 -4.16 118.95 113.25 1h54 s ARG 718 Ca 0.00 -1.07 0.01 0.00 -1.72 0.00 0.00 55.73 52.95 1h54 s ARG 718 Cb 0.00 -1.50 0.03 0.00 -0.45 0.00 0.00 34.95 33.02 1h54 s ARG 718 CO 0.00 0.37 -0.17 -1.17 -0.68 0.00 0.00 175.30 173.65 1h54 s LEU 719 N -1.55 2.46 0.01 2.53 2.96 -0.70 -1.27 118.68 123.12 1h54 s LEU 719 Ca 0.08 -0.80 0.05 0.00 -0.22 0.00 0.00 54.13 53.24 1h54 s LEU 719 Cb -0.09 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1h54 s LEU 719 CO 0.03 -0.04 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.27 1h54 s ILE 720 N 1.26 3.22 -0.17 6.68 1.01 -0.25 -0.96 121.20 131.99 1h54 s ILE 720 Ca 0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 1h54 s ILE 720 Cb -0.15 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 1h54 s ILE 720 CO -0.11 0.40 -0.12 -0.70 0.00 0.00 0.00 174.94 174.41 1h54 s GLU 721 N -1.33 3.28 -0.18 2.79 2.12 -0.09 -0.46 118.70 124.84 1h54 s GLU 721 Ca 0.15 -0.70 -0.04 0.00 0.36 0.00 0.00 54.97 54.74 1h54 s GLU 721 Cb -0.11 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 1h54 s GLU 721 CO 0.06 -0.04 -0.04 0.08 -0.54 0.00 0.00 175.26 174.78 1h54 s VAL 722 N 1.00 3.75 -0.15 3.70 1.01 0.13 -1.45 120.40 128.39 1h54 s VAL 722 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1h54 s VAL 722 Cb -0.15 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1h54 s VAL 722 CO -0.02 0.47 -0.13 -0.55 0.00 0.00 0.00 175.10 174.86 1h54 s SER 723 N 0.72 2.69 -0.26 3.32 0.15 0.83 -1.26 113.70 119.89 1h54 s SER 723 Ca -0.02 -0.50 -0.07 0.00 0.70 0.00 0.00 55.95 56.07 1h54 s SER 723 Cb -0.14 -1.16 -0.01 0.00 -1.71 0.00 0.00 66.02 62.99 1h54 s SER 723 CO 0.02 -0.07 0.06 -0.69 1.20 0.00 0.00 173.24 173.76 1h54 s VAL 724 N 1.50 4.06 0.49 4.45 1.01 0.04 0.39 120.40 132.33 1h54 s VAL 724 Ca 0.05 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1h54 s VAL 724 Cb -0.13 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1h54 s VAL 724 CO -0.10 0.27 0.02 -1.00 0.00 0.00 0.00 175.10 174.29 1h54 s HIS 725 N 1.56 1.92 0.44 5.22 3.76 -0.92 -2.23 115.29 125.04 1h54 s HIS 725 Ca 0.05 -0.97 0.11 0.00 -0.15 0.00 0.00 55.06 54.11 1h54 s HIS 725 Cb -0.16 -1.57 0.96 0.00 1.11 0.00 0.00 32.58 32.92 1h54 s HIS 725 CO 0.02 0.19 2.03 0.00 -0.85 0.00 0.00 174.74 176.13 1h54 h ALA 726 N 1.45 1.72 -0.08 -1.40 0.00 -1.94 -1.40 119.26 117.61 1h54 h ALA 726 Ca -0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1h54 h ALA 726 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1h54 h ALA 726 CO 0.73 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.80 1h54 n ASP 727 N -4.41 0.52 0.00 0.00 5.75 -1.26 -5.01 116.55 112.14 1h54 n ASP 727 Ca -0.00 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 1h54 n ASP 727 Cb 0.15 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1h54 n ASP 727 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h54 n GLY 728 N 0.78 1.14 3.83 6.12 0.00 -0.53 -5.07 105.19 111.46 1h54 n GLY 728 Ca 0.09 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 1h54 n GLY 728 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h54 s PRO 729 N -1.25 3.36 -0.03 1.61 0.04 -1.26 -2.16 135.00 135.31 1h54 s PRO 729 Ca 0.00 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.04 1h54 s PRO 729 Cb 0.00 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1h54 s PRO 729 CO 0.00 -0.76 0.03 -1.01 0.04 0.00 0.00 177.00 175.30 1h54 s HIS 730 N -2.79 0.10 0.05 0.56 3.76 0.16 -4.94 115.29 112.20 1h54 s HIS 730 Ca 0.60 0.13 0.07 0.00 -0.15 0.00 0.00 55.06 55.71 1h54 s HIS 730 Cb -0.13 -0.34 -0.03 0.00 1.11 0.00 0.00 32.58 33.18 1h54 s HIS 730 CO 0.44 -0.13 -0.18 -0.06 -0.85 0.00 0.00 174.74 173.97 1h54 s PHE 731 N 1.35 2.56 -0.04 1.40 0.40 -1.26 -0.12 117.98 122.27 1h54 s PHE 731 Ca -0.06 -0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1h54 s PHE 731 Cb -0.13 -1.45 0.03 0.00 0.51 0.00 0.00 43.02 41.98 1h54 s PHE 731 CO -0.03 0.27 0.07 0.21 0.70 0.00 0.00 175.22 176.44 1h54 s LYS 732 N -1.53 -0.01 -0.53 0.44 2.20 -0.53 -4.99 119.74 114.80 1h54 s LYS 732 Ca 0.15 0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 55.82 1h54 s LYS 732 Cb -0.11 -0.26 0.05 0.00 -1.51 0.00 0.00 37.83 36.00 1h54 s LYS 732 CO 0.06 -0.19 0.78 -1.17 -0.36 0.00 0.00 175.35 174.47 1h54 s LEU 733 N 1.29 4.52 0.22 5.43 2.96 -1.26 -0.91 118.68 130.92 1h54 s LEU 733 Ca -0.07 -0.61 0.11 0.00 -0.22 0.00 0.00 54.13 53.35 1h54 s LEU 733 Cb -0.12 -2.65 0.08 0.00 0.50 0.00 0.00 46.19 43.99 1h54 s LEU 733 CO -0.04 -1.05 1.44 -0.07 -1.32 0.00 0.00 176.35 175.31 1h54 h LEU 734 N 10.33 0.00 -7.00 -0.68 3.38 -1.41 -3.38 115.31 116.54 1h54 h LEU 734 Ca -0.27 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.80 1h54 h LEU 734 Cb 1.08 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 1h54 h LEU 734 CO 1.02 0.72 0.47 -0.94 0.09 0.00 0.00 178.44 179.80 1h54 s SER 735 N -6.63 -0.39 0.00 -0.43 1.04 -1.17 -4.95 113.70 101.17 1h54 s SER 735 Ca 0.01 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1h54 s SER 735 Cb 0.10 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1h54 s SER 735 CO 0.77 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1h54 n GLY 736 N -0.22 0.81 3.87 7.32 0.00 -1.26 -1.72 105.19 113.99 1h54 n GLY 736 Ca -0.10 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.52 1h54 n GLY 736 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h54 s GLU 737 N -1.36 3.65 0.22 1.61 0.41 -1.26 -4.79 118.70 117.18 1h54 s GLU 737 Ca 0.00 0.74 -0.31 0.00 -0.41 0.00 0.00 54.97 55.00 1h54 s GLU 737 Cb 0.00 -2.11 -0.15 0.00 -1.78 0.00 0.00 34.13 30.09 1h54 s GLU 737 CO 0.00 -0.50 1.04 -2.30 -0.49 0.00 0.00 175.26 173.01 1h54 n PRO 738 N -2.54 1.11 -4.32 0.39 -0.02 -1.26 -4.96 135.00 123.40 1h54 n PRO 738 Ca 0.06 0.39 -0.18 0.00 -2.02 0.00 0.00 63.50 61.75 1h54 n PRO 738 Cb 0.54 -1.80 -0.15 0.00 -0.02 0.00 0.00 33.50 32.08 1h54 n PRO 738 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h54 s LEU 739 N 0.79 2.02 -0.27 2.45 2.96 -0.45 -4.95 118.68 121.22 1h54 s LEU 739 Ca 0.67 -0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 54.35 1h54 s LEU 739 Cb -0.81 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 1h54 s LEU 739 CO 0.56 0.10 0.10 -0.89 -1.32 0.00 0.00 176.35 174.90 1h54 s THR 740 N -0.20 4.45 0.36 3.68 2.01 -1.26 0.61 115.64 125.28 1h54 s THR 740 Ca 0.03 -0.25 0.08 0.00 0.31 0.00 0.00 61.69 61.86 1h54 s THR 740 Cb -0.03 -3.15 -0.06 0.00 0.01 0.00 0.00 72.50 69.27 1h54 s THR 740 CO -0.00 0.24 0.05 0.27 -0.69 0.00 0.00 174.62 174.49 1h54 s ILE 741 N 1.62 2.52 -0.19 1.82 -4.36 0.06 -4.65 121.20 118.01 1h54 s ILE 741 Ca 0.06 -1.91 -0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1h54 s ILE 741 Cb -0.16 -2.87 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 1h54 s ILE 741 CO 0.05 -0.14 0.01 -0.62 0.24 0.00 0.00 174.94 174.48 1h54 s ASP 742 N -3.76 4.95 -0.32 4.36 -1.08 0.29 -0.16 116.67 120.95 1h54 s ASP 742 Ca 0.36 -0.15 0.03 0.00 -0.52 0.00 0.00 52.55 52.27 1h54 s ASP 742 Cb 0.02 -1.84 0.09 0.00 -1.46 0.00 0.00 42.92 39.72 1h54 s ASP 742 CO 0.20 0.09 0.03 -0.69 0.52 0.00 0.00 175.17 175.32 1h54 s VAL 743 N 0.85 1.98 -1.43 1.11 1.01 0.12 -0.87 120.40 123.18 1h54 s VAL 743 Ca 0.01 -2.01 -0.03 0.00 0.00 0.00 0.00 61.98 59.96 1h54 s VAL 743 Cb -0.14 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1h54 s VAL 743 CO 0.02 -0.49 0.24 0.00 0.00 0.00 0.00 175.10 174.87 1h54 n ALA 744 N 4.40 -0.83 0.00 5.51 0.00 0.55 -1.30 120.51 128.84 1h54 n ALA 744 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1h54 n ALA 744 Cb 0.42 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1h54 n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h54 n GLY 745 N -1.11 0.25 3.71 0.00 0.00 -1.26 -5.06 105.19 101.72 1h54 n GLY 745 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1h54 n GLY 745 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h54 s ALA 746 N -2.07 3.59 -0.18 4.61 0.00 -0.42 -5.06 121.76 122.22 1h54 s ALA 746 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 51.96 50.97 1h54 s ALA 746 Cb 0.00 -2.03 -0.00 0.00 0.00 0.00 0.00 23.12 21.09 1h54 s ALA 746 CO 0.00 0.24 0.96 0.00 0.00 0.00 0.00 175.76 176.96 1h54 s ALA 747 N 0.15 3.56 -0.09 0.00 0.00 -1.26 0.15 121.76 124.27 1h54 s ALA 747 Ca 0.07 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1h54 s ALA 747 Cb -0.12 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1h54 s ALA 747 CO -0.00 -0.82 -0.21 0.00 0.00 0.00 0.00 175.76 174.73 1h54 s ALA 748 N 2.58 1.95 -0.17 0.00 0.00 0.77 -4.96 121.76 121.92 1h54 s ALA 748 Ca 0.43 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 1h54 s ALA 748 Cb -0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1h54 s ALA 748 CO 0.11 0.25 0.41 0.00 0.00 0.00 0.00 175.76 176.53 1h54 s ALA 749 N 0.40 3.54 -0.15 0.00 0.00 -1.26 -0.76 121.76 123.53 1h54 s ALA 749 Ca -0.17 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 1h54 s ALA 749 Cb -0.17 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1h54 s ALA 749 CO 0.08 -0.17 0.05 0.00 0.00 0.00 0.00 175.76 175.72 1h54 s ALA 750 N 1.02 3.39 -0.03 0.00 0.00 0.20 -4.95 121.76 121.39 1h54 s ALA 750 Ca 0.21 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1h54 s ALA 750 Cb -0.15 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.19 1h54 s ALA 750 CO 0.08 0.32 0.09 0.00 0.00 0.00 0.00 175.76 176.25 1h54 s ALA 751 N -0.06 -0.23 0.39 0.00 0.00 -1.26 -1.34 121.76 119.27 1h54 s ALA 751 Ca 0.06 0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.92 1h54 s ALA 751 Cb -0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.79 1h54 s ALA 751 CO 0.01 -0.07 1.40 0.00 0.00 0.00 0.00 175.76 177.10 1h54 s ALA 752 N -0.20 3.41 -2.15 0.00 0.00 -1.26 -2.65 121.76 118.90 1h54 s ALA 752 Ca -0.03 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1h54 s ALA 752 Cb -0.02 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1h54 s ALA 752 CO 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 175.76 174.79 1h54 n ALA 753 N 0.28 -0.31 -1.00 0.00 0.00 -1.26 -5.10 120.51 113.12 1h54 n ALA 753 Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1h54 n ALA 753 Cb 0.41 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1h54 n ALA 753 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50