#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h46 s LYS 4 N 0.00 4.03 -0.10 3.44 -2.85 -1.26 -5.00 119.74 118.00 3h46 s LYS 4 Ca 0.00 -0.10 0.15 0.00 -1.00 0.00 0.00 55.97 55.02 3h46 s LYS 4 Cb 0.00 -3.62 0.23 0.00 -2.06 0.00 0.00 37.83 32.39 3h46 s LYS 4 CO 0.00 -0.15 1.12 0.09 0.10 0.00 0.00 175.35 176.51 3h46 n ASN 5 N 4.92 2.20 -3.97 0.03 3.02 -0.82 -4.50 115.26 116.15 3h46 n ASN 5 Ca -0.11 -2.87 -0.09 0.00 -0.03 0.00 0.00 54.58 51.48 3h46 n ASN 5 Cb 0.51 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 3h46 n ASN 5 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h46 s TYR 6 N -2.47 0.24 -0.03 3.10 2.02 -1.00 -3.92 117.35 115.29 3h46 s TYR 6 Ca 0.26 -0.52 0.07 0.00 -0.37 0.00 0.00 57.07 56.51 3h46 s TYR 6 Cb 0.22 -0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.59 3h46 s TYR 6 CO 0.02 -0.26 -0.26 0.08 -1.57 0.00 0.00 175.55 173.57 3h46 s VAL 7 N -1.92 2.03 -0.13 0.71 1.01 -0.63 0.79 120.40 122.26 3h46 s VAL 7 Ca -0.11 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.73 3h46 s VAL 7 Cb -0.06 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3h46 s VAL 7 CO -0.02 0.57 0.06 -0.32 0.00 0.00 0.00 175.10 175.39 3h46 s MET 8 N -0.50 3.45 -0.07 2.72 1.75 -0.90 -0.60 119.30 125.14 3h46 s MET 8 Ca 0.07 -0.31 0.01 0.00 -1.25 0.00 0.00 55.69 54.21 3h46 s MET 8 Cb -0.11 -3.04 -0.03 0.00 2.84 0.00 0.00 34.83 34.49 3h46 s MET 8 CO 0.00 0.58 -0.10 0.00 -0.65 0.00 0.00 175.02 174.85 3h46 s ALA 9 N -0.50 2.83 -0.23 4.11 0.00 0.92 -1.11 121.76 127.79 3h46 s ALA 9 Ca 0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 3h46 s ALA 9 Cb -0.12 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 3h46 s ALA 9 CO 0.02 0.51 -0.04 0.42 0.00 0.00 0.00 175.76 176.67 3h46 s ILE 10 N -0.57 3.32 -0.41 0.00 1.01 -0.14 -0.87 121.20 123.54 3h46 s ILE 10 Ca 0.08 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3h46 s ILE 10 Cb -0.12 -2.54 0.10 0.00 0.01 0.00 0.00 42.46 39.91 3h46 s ILE 10 CO 0.02 0.37 0.21 -0.62 0.00 0.00 0.00 174.94 174.92 3h46 s ASP 11 N 1.46 5.36 -0.77 3.58 2.15 0.18 -0.70 116.67 127.92 3h46 s ASP 11 Ca 0.05 -1.83 -0.18 0.00 0.43 0.00 0.00 52.55 51.02 3h46 s ASP 11 Cb -0.15 -1.87 0.14 0.00 -0.30 0.00 0.00 42.92 40.74 3h46 s ASP 11 CO -0.03 -0.54 0.87 -1.58 -0.17 0.00 0.00 175.17 173.72 3h46 s GLN 12 N 1.24 3.38 0.31 4.34 -0.44 0.06 -0.77 119.66 127.78 3h46 s GLN 12 Ca 0.05 -1.75 -0.02 0.00 -2.50 0.00 0.00 55.36 51.14 3h46 s GLN 12 Cb -0.23 -4.53 0.07 0.00 -1.64 0.00 0.00 33.01 26.68 3h46 s GLN 12 CO -0.02 -1.56 0.43 0.41 0.50 0.00 0.00 175.29 175.04 3h46 n GLY 13 N 5.01 0.17 0.23 2.59 0.00 -0.20 -0.55 105.19 112.44 3h46 n GLY 13 Ca 0.08 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 3h46 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h46 h THR 14 N -0.70 1.29 -0.00 2.61 2.02 -1.96 -3.35 112.91 112.81 3h46 h THR 14 Ca -0.14 -1.55 0.00 0.00 0.77 0.00 0.00 66.41 65.49 3h46 h THR 14 Cb 0.47 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 3h46 h THR 14 CO 0.13 0.50 -0.00 0.35 0.37 0.00 0.00 175.52 176.87 3h46 n THR 15 N -4.17 0.00 -3.48 3.16 -2.24 -1.26 -5.00 114.28 101.29 3h46 n THR 15 Ca -0.04 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 3h46 n THR 15 Cb 0.53 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 3h46 n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h46 s SER 16 N -0.35 -0.46 0.22 3.42 1.04 -1.26 -3.17 113.70 113.15 3h46 s SER 16 Ca 0.05 -0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.54 3h46 s SER 16 Cb 0.03 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 3h46 s SER 16 CO 0.05 -0.82 -0.10 -0.44 0.98 0.00 0.00 173.24 172.91 3h46 s SER 17 N -2.64 4.14 -0.14 7.02 0.01 -0.20 -1.03 113.70 120.86 3h46 s SER 17 Ca 0.03 -0.71 -0.17 0.00 1.31 0.00 0.00 55.95 56.42 3h46 s SER 17 Cb -0.01 -0.64 0.04 0.00 0.21 0.00 0.00 66.02 65.63 3h46 s SER 17 CO -0.10 0.06 0.45 -0.60 0.41 0.00 0.00 173.24 173.46 3h46 s ARG 18 N -3.19 0.58 -0.05 12.44 3.52 0.05 -1.10 118.95 131.21 3h46 s ARG 18 Ca 0.27 0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.40 3h46 s ARG 18 Cb -0.07 0.28 -0.00 0.00 -1.56 0.00 0.00 34.95 33.60 3h46 s ARG 18 CO 0.16 -0.10 -0.17 0.00 -0.81 0.00 0.00 175.30 174.39 3h46 s ALA 19 N -0.08 1.51 -0.01 6.12 0.00 -0.56 0.48 121.76 129.22 3h46 s ALA 19 Ca -0.03 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3h46 s ALA 19 Cb -0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 3h46 s ALA 19 CO 0.02 0.26 -0.08 0.42 0.00 0.00 0.00 175.76 176.38 3h46 s ILE 20 N 0.12 0.64 -0.16 0.00 1.09 -0.05 -1.88 121.20 120.96 3h46 s ILE 20 Ca -0.06 -0.32 -0.05 0.00 -1.10 0.00 0.00 60.65 59.11 3h46 s ILE 20 Cb -0.12 -0.55 -0.03 0.00 -1.06 0.00 0.00 42.46 40.69 3h46 s ILE 20 CO 0.03 0.19 0.02 -0.63 -0.10 0.00 0.00 174.94 174.44 3h46 s ILE 21 N -0.05 4.40 0.13 2.92 1.01 -0.18 -0.05 121.20 129.37 3h46 s ILE 21 Ca 0.01 -0.18 0.10 0.00 0.00 0.00 0.00 60.65 60.58 3h46 s ILE 21 Cb -0.05 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3h46 s ILE 21 CO -0.00 0.49 -0.20 -0.36 0.00 0.00 0.00 174.94 174.86 3h46 s PHE 22 N 0.23 2.46 0.39 3.97 0.08 0.23 -0.64 117.98 124.69 3h46 s PHE 22 Ca 0.01 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 3h46 s PHE 22 Cb -0.13 -1.29 0.08 0.00 -0.57 0.00 0.00 43.02 41.11 3h46 s PHE 22 CO 0.01 0.39 0.54 -0.40 -0.10 0.00 0.00 175.22 175.67 3h46 n ASP 23 N 0.72 0.59 0.00 1.36 5.68 -0.67 -1.60 116.55 122.63 3h46 n ASP 23 Ca -0.16 -1.53 0.10 0.00 -0.50 0.00 0.00 54.79 52.70 3h46 n ASP 23 Cb 0.53 -0.36 0.50 0.00 -1.14 0.00 0.00 41.12 40.65 3h46 n ASP 23 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3h46 n ARG 24 N -2.02 0.25 0.00 0.11 0.63 -1.25 -1.27 116.66 113.11 3h46 n ARG 24 Ca 0.08 0.10 0.12 0.00 -0.92 0.00 0.00 57.85 57.24 3h46 n ARG 24 Cb 0.30 -1.50 0.14 0.00 0.45 0.00 0.00 32.46 31.85 3h46 n ARG 24 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3h46 n ASN 25 N -1.32 1.91 0.00 6.15 3.02 -1.26 -4.97 115.26 118.79 3h46 n ASN 25 Ca 0.09 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 3h46 n ASN 25 Cb 0.17 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3h46 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h46 n GLY 26 N 1.37 0.75 3.74 7.41 0.00 -0.39 -4.89 105.19 113.18 3h46 n GLY 26 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3h46 n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h46 s LYS 27 N -0.60 4.69 0.04 1.61 2.20 -1.26 -4.78 119.74 121.63 3h46 s LYS 27 Ca 0.00 1.64 -0.30 0.00 -0.36 0.00 0.00 55.97 56.95 3h46 s LYS 27 Cb 0.00 -3.27 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 3h46 s LYS 27 CO 0.00 0.24 1.46 0.21 -0.36 0.00 0.00 175.35 176.90 3h46 s LYS 28 N -0.77 4.27 -0.18 4.03 2.20 -1.26 -1.68 119.74 126.35 3h46 s LYS 28 Ca 0.46 2.07 0.13 0.00 -0.36 0.00 0.00 55.97 58.27 3h46 s LYS 28 Cb -0.28 -3.51 -0.20 0.00 -1.51 0.00 0.00 37.83 32.32 3h46 s LYS 28 CO 0.35 -0.59 0.02 -0.89 -0.36 0.00 0.00 175.35 173.88 3h46 n ILE 29 N 4.54 1.18 -3.54 5.43 2.08 0.18 -4.96 119.36 124.27 3h46 n ILE 29 Ca 0.13 -0.68 -0.16 0.00 0.56 0.00 0.00 62.75 62.60 3h46 n ILE 29 Cb 0.43 -0.66 -0.06 0.00 -0.75 0.00 0.00 39.64 38.59 3h46 n ILE 29 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3h46 s GLY 30 N -5.25 -0.50 0.18 7.39 0.00 -1.21 -4.44 107.32 103.48 3h46 s GLY 30 Ca -0.12 1.56 -0.11 0.00 0.00 0.00 0.00 44.72 46.05 3h46 s GLY 30 CO 0.67 1.07 0.36 -1.35 0.00 0.00 0.00 173.10 173.85 3h46 s SER 31 N -0.99 -0.04 -0.25 1.64 1.04 -1.26 -1.01 113.70 112.83 3h46 s SER 31 Ca -0.08 -0.81 -0.22 0.00 0.48 0.00 0.00 55.95 55.33 3h46 s SER 31 Cb -0.01 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.66 3h46 s SER 31 CO 0.07 -0.96 0.66 -0.55 0.98 0.00 0.00 173.24 173.44 3h46 s SER 32 N -2.96 -0.72 0.02 7.02 0.15 -0.78 -4.51 113.70 111.92 3h46 s SER 32 Ca 0.17 1.34 0.04 0.00 0.70 0.00 0.00 55.95 58.20 3h46 s SER 32 Cb 0.02 1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 65.65 3h46 s SER 32 CO 0.01 -0.23 -0.13 -1.58 1.20 0.00 0.00 173.24 172.51 3h46 s GLN 33 N 0.53 0.92 -0.09 5.44 0.74 -1.26 -1.50 119.66 124.42 3h46 s GLN 33 Ca -0.01 -0.61 -0.04 0.00 0.05 0.00 0.00 55.36 54.74 3h46 s GLN 33 Cb -0.05 -0.90 0.04 0.00 1.10 0.00 0.00 33.01 33.21 3h46 s GLN 33 CO -0.02 0.23 0.21 0.21 -0.55 0.00 0.00 175.29 175.38 3h46 s LYS 34 N -0.79 0.16 0.74 1.67 2.20 -0.26 -5.00 119.74 118.47 3h46 s LYS 34 Ca 0.02 0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 56.01 3h46 s LYS 34 Cb -0.06 -0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.15 3h46 s LYS 34 CO 0.00 -0.17 1.07 -1.21 -0.36 0.00 0.00 175.35 174.69 3h46 s GLU 35 N 1.30 2.58 0.06 4.03 2.02 -1.26 -1.03 118.70 126.40 3h46 s GLU 35 Ca -0.09 0.91 -0.05 0.00 0.02 0.00 0.00 54.97 55.77 3h46 s GLU 35 Cb -0.11 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 3h46 s GLU 35 CO -0.08 -1.34 0.07 -0.59 0.02 0.00 0.00 175.26 173.35 3h46 s PHE 36 N -3.05 0.32 0.41 1.61 -0.12 -1.19 -4.90 117.98 111.05 3h46 s PHE 36 Ca 0.59 -0.77 -0.27 0.00 -0.05 0.00 0.00 56.93 56.43 3h46 s PHE 36 Cb -0.15 -0.22 -0.10 0.00 -0.63 0.00 0.00 43.02 41.93 3h46 s PHE 36 CO 0.55 -0.43 1.43 -2.14 -0.05 0.00 0.00 175.22 174.58 3h46 s PRO 37 N -3.58 3.95 -0.18 1.99 0.02 -1.26 -4.86 135.00 131.07 3h46 s PRO 37 Ca 0.03 2.44 -0.04 0.00 0.02 0.00 0.00 61.00 63.45 3h46 s PRO 37 Cb 0.05 -2.83 -0.02 0.00 0.02 0.00 0.00 34.50 31.71 3h46 s PRO 37 CO -0.09 -0.61 -0.03 -0.65 -0.33 0.00 0.00 177.00 175.29 3h46 s GLN 38 N -2.23 3.59 -0.11 5.54 -1.52 -1.26 -4.64 119.66 119.03 3h46 s GLN 38 Ca 0.56 -0.54 -0.01 0.00 -1.95 0.00 0.00 55.36 53.41 3h46 s GLN 38 Cb -0.44 -2.99 -0.03 0.00 -0.22 0.00 0.00 33.01 29.33 3h46 s GLN 38 CO 0.58 0.07 -0.05 0.71 -0.25 0.00 0.00 175.29 176.36 3h46 s TYR 39 N 0.81 2.99 -0.55 0.91 2.02 -0.41 -5.00 117.35 118.12 3h46 s TYR 39 Ca -0.01 -0.13 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 3h46 s TYR 39 Cb -0.14 -1.83 0.19 0.00 -0.40 0.00 0.00 41.96 39.78 3h46 s TYR 39 CO 0.02 0.16 0.48 1.19 -1.57 0.00 0.00 175.55 175.83 3h46 n PHE 40 N 2.85 1.33 0.22 2.71 3.72 -1.26 -0.69 117.46 126.33 3h46 n PHE 40 Ca -0.18 -3.83 0.07 0.00 -0.05 0.00 0.00 57.45 53.46 3h46 n PHE 40 Cb 0.53 -0.26 0.50 0.00 -0.94 0.00 0.00 39.48 39.31 3h46 n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3h46 h PRO 41 N 5.11 0.00 -4.00 -1.08 0.13 -1.97 -3.45 132.00 126.74 3h46 h PRO 41 Ca 0.19 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.20 3h46 h PRO 41 Cb 0.81 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.81 3h46 h PRO 41 CO 0.58 0.25 -0.40 0.15 -0.23 0.00 0.00 178.00 178.35 3h46 s LYS 42 N -4.22 1.09 0.12 0.86 1.02 -1.26 -5.07 119.74 112.29 3h46 s LYS 42 Ca -0.03 -1.22 -0.33 0.00 0.02 0.00 0.00 55.97 54.41 3h46 s LYS 42 Cb 0.14 0.35 -0.13 0.00 -0.52 0.00 0.00 37.83 37.67 3h46 s LYS 42 CO 0.67 -0.38 1.70 0.45 -0.92 0.00 0.00 175.35 176.88 3h46 n SER 43 N -0.18 3.50 0.00 2.83 2.88 -1.26 -1.04 113.62 120.35 3h46 n SER 43 Ca -0.07 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 3h46 n SER 43 Cb 0.63 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 3h46 n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h46 n GLY 44 N 3.83 2.39 3.83 0.46 0.00 -1.26 -4.96 105.19 109.47 3h46 n GLY 44 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3h46 n GLY 44 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h46 s TRP 45 N -2.40 3.71 -0.04 1.61 0.52 -0.21 -0.03 118.94 122.10 3h46 s TRP 45 Ca 0.00 1.14 -0.02 0.00 0.02 0.00 0.00 56.10 57.24 3h46 s TRP 45 Cb 0.00 -2.41 0.03 0.00 -1.15 0.00 0.00 33.47 29.94 3h46 s TRP 45 CO 0.00 0.54 0.05 0.08 0.02 0.00 0.00 176.95 177.63 3h46 s VAL 46 N -1.25 -0.02 0.10 4.03 1.01 -1.26 -4.35 120.40 118.67 3h46 s VAL 46 Ca 0.32 0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.70 3h46 s VAL 46 Cb -0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 3h46 s VAL 46 CO 0.18 0.18 -0.14 -1.61 0.00 0.00 0.00 175.10 173.71 3h46 s GLU 47 N 1.95 0.95 0.04 2.72 2.02 0.13 -1.71 118.70 124.80 3h46 s GLU 47 Ca 0.02 -1.14 0.07 0.00 0.02 0.00 0.00 54.97 53.94 3h46 s GLU 47 Cb -0.12 -0.86 -0.03 0.00 0.10 0.00 0.00 34.13 33.22 3h46 s GLU 47 CO -0.03 0.17 -0.20 -1.01 0.02 0.00 0.00 175.26 174.21 3h46 s HIS 48 N -1.88 1.79 -0.38 1.61 3.76 -0.83 -1.29 115.29 118.08 3h46 s HIS 48 Ca 0.05 -0.37 -0.28 0.00 -0.15 0.00 0.00 55.06 54.31 3h46 s HIS 48 Cb -0.06 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.58 3h46 s HIS 48 CO 0.03 0.09 1.04 1.21 -0.85 0.00 0.00 174.74 176.26 3h46 s ASN 49 N -1.19 6.78 0.49 1.40 3.84 -1.26 0.23 114.94 125.23 3h46 s ASN 49 Ca 0.07 0.75 0.19 0.00 0.21 0.00 0.00 52.86 54.08 3h46 s ASN 49 Cb -0.09 -2.52 1.24 0.00 -0.55 0.00 0.00 41.25 39.33 3h46 s ASN 49 CO 0.02 -0.97 2.07 0.00 -2.79 0.00 0.00 177.10 175.43 3h46 h ALA 50 N 8.50 1.65 -0.41 1.71 0.00 -1.93 -1.06 119.26 127.72 3h46 h ALA 50 Ca -0.22 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 3h46 h ALA 50 Cb 1.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3h46 h ALA 50 CO 1.04 0.15 -0.20 -0.91 0.00 0.00 0.00 179.25 179.33 3h46 h ASN 51 N 0.00 0.80 0.18 0.00 2.35 -1.97 -0.63 115.58 116.31 3h46 h ASN 51 Ca -0.00 -0.28 -0.13 0.00 -0.55 0.00 0.00 56.30 55.34 3h46 h ASN 51 Cb 0.23 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3h46 h ASN 51 CO 0.02 0.98 -0.48 -0.33 -1.65 0.00 0.00 177.43 175.97 3h46 h GLU 52 N 0.70 0.35 -0.14 0.81 5.08 -1.68 -0.81 114.58 118.88 3h46 h GLU 52 Ca 0.10 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3h46 h GLU 52 Cb 0.70 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3h46 h GLU 52 CO 0.05 0.76 0.04 0.82 -1.00 0.00 0.00 179.01 179.68 3h46 h ILE 53 N 0.28 1.19 -0.66 3.13 2.04 -1.10 -0.52 117.51 121.87 3h46 h ILE 53 Ca 0.02 -0.58 0.11 0.00 1.00 0.00 0.00 64.86 65.40 3h46 h ILE 53 Cb 0.95 1.30 -0.08 0.00 -0.74 0.00 0.00 36.82 38.25 3h46 h ILE 53 CO 0.08 0.17 0.25 -0.25 0.00 0.00 0.00 178.15 178.40 3h46 h TRP 54 N 0.05 0.43 -0.76 1.37 -0.00 -0.99 -1.93 115.95 114.12 3h46 h TRP 54 Ca 0.05 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.93 3h46 h TRP 54 Cb 0.23 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.16 29.27 3h46 h TRP 54 CO 0.00 0.09 0.32 -0.91 -0.00 0.00 0.00 178.44 177.95 3h46 h ASN 55 N 0.42 1.02 -0.85 2.65 2.35 -0.82 0.06 115.58 120.41 3h46 h ASN 55 Ca 0.34 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3h46 h ASN 55 Cb 0.45 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 3h46 h ASN 55 CO -0.34 0.89 0.40 0.77 -1.65 0.00 0.00 177.43 177.51 3h46 h SER 56 N 1.09 1.12 -0.27 5.81 4.64 -0.49 0.22 113.55 125.67 3h46 h SER 56 Ca 0.26 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 3h46 h SER 56 Cb 0.17 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3h46 h SER 56 CO -0.03 0.94 -0.21 0.58 -0.87 0.00 0.00 176.83 177.25 3h46 h VAL 57 N 1.21 1.31 -0.39 0.95 2.07 -0.98 -1.45 116.25 118.97 3h46 h VAL 57 Ca 0.29 -1.35 0.07 0.00 0.82 0.00 0.00 66.70 66.52 3h46 h VAL 57 Cb 0.13 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 3h46 h VAL 57 CO -0.04 0.43 0.03 1.56 0.02 0.00 0.00 177.57 179.58 3h46 h GLN 58 N 0.35 0.14 -0.54 1.57 4.20 -0.66 -0.98 115.11 119.18 3h46 h GLN 58 Ca 0.05 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.79 3h46 h GLN 58 Cb 0.76 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 3h46 h GLN 58 CO 0.06 0.09 0.30 0.77 -0.67 0.00 0.00 178.83 179.38 3h46 h SER 59 N 0.15 0.46 1.10 1.46 0.02 -0.77 -2.04 113.55 113.93 3h46 h SER 59 Ca 0.19 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.00 3h46 h SER 59 Cb 0.25 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3h46 h SER 59 CO -0.29 0.32 -0.75 -0.37 -1.14 0.00 0.00 176.83 174.60 3h46 h VAL 60 N 0.59 1.35 0.12 2.27 -1.51 -0.93 -0.52 116.25 117.62 3h46 h VAL 60 Ca 0.23 -2.75 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 3h46 h VAL 60 Cb 0.09 2.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 3h46 h VAL 60 CO -0.13 0.73 -0.10 0.40 -1.23 0.00 0.00 177.57 177.25 3h46 h ILE 61 N 0.00 0.79 -0.48 7.19 2.04 -1.02 -1.51 117.51 124.51 3h46 h ILE 61 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 3h46 h ILE 61 Cb 1.50 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 38.30 3h46 h ILE 61 CO 0.10 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.33 3h46 h ALA 62 N 0.64 0.52 -0.54 1.87 0.00 -1.26 -2.64 119.26 117.84 3h46 h ALA 62 Ca -0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3h46 h ALA 62 Cb 0.21 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3h46 h ALA 62 CO -0.01 -0.32 0.20 0.78 0.00 0.00 0.00 179.25 179.90 3h46 h GLY 63 N 0.22 0.85 0.96 0.00 0.00 -0.83 0.14 103.07 104.41 3h46 h GLY 63 Ca 0.24 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 3h46 h GLY 63 CO -0.32 0.41 -0.40 0.00 0.00 0.00 0.00 176.54 176.23 3h46 h ALA 64 N 1.44 0.34 -0.60 3.60 0.00 -1.19 0.42 119.26 123.27 3h46 h ALA 64 Ca 0.18 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3h46 h ALA 64 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3h46 h ALA 64 CO -0.01 0.44 0.37 0.74 0.00 0.00 0.00 179.25 180.79 3h46 h PHE 65 N 0.35 0.78 -0.04 0.00 0.04 -1.05 -2.15 116.94 114.87 3h46 h PHE 65 Ca 0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3h46 h PHE 65 Cb 1.00 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 3h46 h PHE 65 CO 0.09 0.52 0.02 0.82 -0.60 0.00 0.00 178.31 179.16 3h46 h ILE 66 N 0.81 1.13 0.00 -0.55 2.04 -0.54 -1.81 117.51 118.58 3h46 h ILE 66 Ca 0.22 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 3h46 h ILE 66 Cb -0.04 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3h46 h ILE 66 CO -0.04 0.10 -0.26 -0.08 0.00 0.00 0.00 178.15 177.87 3h46 h GLU 67 N -0.08 0.00 0.00 2.37 4.81 -0.90 -3.28 114.58 117.51 3h46 h GLU 67 Ca 0.01 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 3h46 h GLU 67 Cb 0.15 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3h46 h GLU 67 CO -0.00 0.26 -1.70 -1.13 -0.73 0.00 0.00 179.01 175.71 3h46 n SER 68 N -3.73 0.46 0.00 1.04 3.41 -0.81 -4.85 113.62 109.14 3h46 n SER 68 Ca -0.01 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3h46 n SER 68 Cb 0.37 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 3h46 n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h46 n GLY 69 N 1.40 1.61 3.83 5.00 0.00 -0.70 -4.92 105.19 111.39 3h46 n GLY 69 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3h46 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h46 s ILE 70 N -3.62 4.36 -0.01 -0.61 1.09 -1.25 -5.07 121.20 116.11 3h46 s ILE 70 Ca 0.00 1.29 0.03 0.00 -1.10 0.00 0.00 60.65 60.86 3h46 s ILE 70 Cb 0.00 -3.63 -0.03 0.00 -1.06 0.00 0.00 42.46 37.74 3h46 s ILE 70 CO 0.00 -0.50 -0.06 -0.13 -0.10 0.00 0.00 174.94 174.15 3h46 s ARG 71 N -3.66 2.59 0.59 2.79 0.52 -1.26 -4.80 118.95 115.72 3h46 s ARG 71 Ca 0.61 -0.69 0.29 0.00 -0.52 0.00 0.00 55.73 55.41 3h46 s ARG 71 Cb -0.11 -2.52 1.50 0.00 0.52 0.00 0.00 34.95 34.34 3h46 s ARG 71 CO 0.24 0.61 1.92 -1.35 0.02 0.00 0.00 175.30 176.74 3h46 h PRO 72 N 4.60 0.00 0.00 3.54 0.11 -1.97 0.16 132.00 138.44 3h46 h PRO 72 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h46 h PRO 72 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h46 h PRO 72 CO 0.54 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.48 3h46 n GLU 73 N -3.66 0.12 -0.09 1.05 0.28 -1.26 -2.96 120.64 114.12 3h46 n GLU 73 Ca 0.07 0.24 0.12 0.00 -0.16 0.00 0.00 57.16 57.43 3h46 n GLU 73 Cb 0.61 -1.68 0.26 0.00 1.43 0.00 0.00 31.44 32.05 3h46 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h46 n ALA 74 N -1.65 2.47 -2.63 -1.84 0.00 0.57 -4.78 120.51 112.66 3h46 n ALA 74 Ca 0.04 -0.75 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 3h46 n ALA 74 Cb 0.28 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 3h46 n ALA 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h46 s ILE 75 N -1.76 4.82 0.33 0.00 -1.09 -1.15 -1.94 121.20 120.41 3h46 s ILE 75 Ca 0.34 1.32 0.09 0.00 -2.23 0.00 0.00 60.65 60.18 3h46 s ILE 75 Cb 0.21 -4.12 0.07 0.00 -1.58 0.00 0.00 42.46 37.03 3h46 s ILE 75 CO 0.30 -0.17 1.77 0.00 -1.23 0.00 0.00 174.94 175.61 3h46 h ALA 76 N 7.95 1.25 -1.05 9.38 0.00 0.15 -3.45 119.26 133.48 3h46 h ALA 76 Ca -0.24 -0.36 0.34 0.00 0.00 0.00 0.00 54.91 54.65 3h46 h ALA 76 Cb 1.10 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.61 3h46 h ALA 76 CO 0.87 0.52 0.98 0.20 0.00 0.00 0.00 179.25 181.83 3h46 s GLY 77 N -4.23 -0.24 -0.08 0.00 0.00 -1.26 -4.44 107.32 97.07 3h46 s GLY 77 Ca -0.04 1.78 0.04 0.00 0.00 0.00 0.00 44.72 46.50 3h46 s GLY 77 CO 0.75 0.57 -0.22 -0.42 0.00 0.00 0.00 173.10 173.79 3h46 s ILE 78 N -2.05 2.34 -0.03 0.90 1.01 -0.32 -2.12 121.20 120.93 3h46 s ILE 78 Ca 0.12 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3h46 s ILE 78 Cb 0.00 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 3h46 s ILE 78 CO -0.03 0.56 -0.04 -0.83 0.00 0.00 0.00 174.94 174.60 3h46 s GLY 79 N -0.00 1.78 -0.08 6.18 0.00 -0.27 -0.85 107.32 114.09 3h46 s GLY 79 Ca -0.07 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.74 3h46 s GLY 79 CO 0.05 -0.77 -0.19 -0.42 0.00 0.00 0.00 173.10 171.77 3h46 s ILE 80 N -0.96 1.65 0.05 0.90 1.01 0.09 -0.97 121.20 122.98 3h46 s ILE 80 Ca 0.16 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3h46 s ILE 80 Cb -0.11 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3h46 s ILE 80 CO 0.06 0.47 -0.04 0.28 0.00 0.00 0.00 174.94 175.71 3h46 s THR 81 N 0.37 0.33 0.09 2.92 -1.32 0.12 -2.14 115.64 116.02 3h46 s THR 81 Ca -0.14 -1.59 -0.25 0.00 -1.21 0.00 0.00 61.69 58.51 3h46 s THR 81 Cb -0.16 -1.21 0.07 0.00 -1.51 0.00 0.00 72.50 69.68 3h46 s THR 81 CO 0.06 -0.81 0.60 0.54 -2.21 0.00 0.00 174.62 172.79 3h46 s ASN 82 N -2.52 -0.56 0.08 8.08 4.22 -1.21 -0.76 114.94 122.27 3h46 s ASN 82 Ca 0.02 0.19 -0.35 0.00 -2.14 0.00 0.00 52.86 50.58 3h46 s ASN 82 Cb 0.02 0.56 -0.14 0.00 1.28 0.00 0.00 41.25 42.97 3h46 s ASN 82 CO -0.06 -0.84 1.62 0.00 -2.04 0.00 0.00 177.10 175.78 3h46 n GLN 83 N 0.07 1.98 -1.99 3.55 10.64 0.29 -0.38 117.38 131.54 3h46 n GLN 83 Ca -0.18 0.72 -0.28 0.00 -1.83 0.00 0.00 57.00 55.43 3h46 n GLN 83 Cb 0.62 -2.48 0.08 0.00 -0.86 0.00 0.00 30.24 27.60 3h46 n GLN 83 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3h46 s ARG 84 N 1.68 2.11 0.00 2.61 0.52 -1.26 -4.41 118.95 120.19 3h46 s ARG 84 Ca 0.84 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 56.09 3h46 s ARG 84 Cb -0.74 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 32.72 3h46 s ARG 84 CO 0.43 -1.45 0.00 0.39 0.02 0.00 0.00 175.30 174.70 3h46 n GLU 85 N -3.18 0.00 -1.61 3.54 4.71 -1.26 -4.38 120.64 118.46 3h46 n GLU 85 Ca 0.08 0.00 -0.53 0.00 -0.01 0.00 0.00 57.16 56.69 3h46 n GLU 85 Cb 0.61 -0.60 -0.06 0.00 -1.01 0.00 0.00 31.44 30.37 3h46 n GLU 85 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3h46 n THR 86 N 0.00 0.06 -4.78 2.62 -1.04 -1.26 -4.10 114.28 105.77 3h46 n THR 86 Ca 0.00 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 3h46 n THR 86 Cb 0.00 -0.86 -0.16 0.00 -1.82 0.00 0.00 70.33 67.50 3h46 n THR 86 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3h46 s THR 87 N 1.04 2.51 -0.04 12.58 2.01 -0.57 -3.67 115.64 129.50 3h46 s THR 87 Ca 0.87 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 62.10 3h46 s THR 87 Cb -0.99 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 3h46 s THR 87 CO 0.51 0.53 -0.25 -0.69 -0.69 0.00 0.00 174.62 174.03 3h46 s VAL 88 N 0.59 1.99 -0.09 3.82 1.01 0.10 -1.59 120.40 126.23 3h46 s VAL 88 Ca -0.10 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.86 3h46 s VAL 88 Cb -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.55 3h46 s VAL 88 CO 0.03 0.56 -0.21 -0.69 0.00 0.00 0.00 175.10 174.79 3h46 s VAL 89 N -0.36 1.82 0.13 2.92 1.01 -1.26 -1.05 120.40 123.61 3h46 s VAL 89 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3h46 s VAL 89 Cb -0.12 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3h46 s VAL 89 CO 0.01 0.51 -0.03 -1.66 0.00 0.00 0.00 175.10 173.93 3h46 s TRP 90 N 0.40 1.03 -0.24 5.22 -2.14 0.03 -1.31 118.94 121.93 3h46 s TRP 90 Ca -0.17 -0.98 -0.28 0.00 2.66 0.00 0.00 56.10 57.32 3h46 s TRP 90 Cb -0.17 -0.59 0.01 0.00 -3.10 0.00 0.00 33.47 29.62 3h46 s TRP 90 CO 0.07 -0.20 1.02 0.34 -2.66 0.00 0.00 176.95 175.52 3h46 s ASP 91 N -3.10 7.05 0.51 -2.66 2.15 -0.49 -0.32 116.67 119.81 3h46 s ASP 91 Ca 0.18 1.31 0.29 0.00 0.43 0.00 0.00 52.55 54.76 3h46 s ASP 91 Cb 0.06 -2.53 1.40 0.00 -0.30 0.00 0.00 42.92 41.55 3h46 s ASP 91 CO -0.00 -0.67 1.88 0.50 -0.17 0.00 0.00 175.17 176.71 3h46 h LYS 92 N 7.52 0.09 0.00 4.34 3.64 -1.43 0.30 116.57 131.03 3h46 h LYS 92 Ca -0.20 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 58.94 3h46 h LYS 92 Cb 1.06 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 3h46 h LYS 92 CO 0.97 0.06 -1.38 2.41 -2.27 0.00 0.00 179.45 179.24 3h46 n THR 93 N -4.33 1.52 0.20 1.00 -1.04 -1.26 -4.28 114.28 106.08 3h46 n THR 93 Ca 0.19 -0.05 0.12 0.00 -2.04 0.00 0.00 64.05 62.26 3h46 n THR 93 Cb 0.91 -2.06 0.14 0.00 -1.82 0.00 0.00 70.33 67.50 3h46 n THR 93 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3h46 h THR 94 N -1.00 0.03 0.00 12.58 1.35 -1.95 -3.47 112.91 120.45 3h46 h THR 94 Ca -0.36 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3h46 h THR 94 Cb 1.26 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3h46 h THR 94 CO -0.22 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.68 3h46 n GLY 95 N 1.12 0.43 3.69 5.82 0.00 0.11 -5.01 105.19 111.35 3h46 n GLY 95 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3h46 n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h46 s GLN 96 N -0.62 4.40 0.46 1.61 -1.52 -1.25 -4.73 119.66 118.01 3h46 s GLN 96 Ca 0.00 1.07 -0.24 0.00 -1.95 0.00 0.00 55.36 54.24 3h46 s GLN 96 Cb 0.00 -3.51 -0.08 0.00 -0.22 0.00 0.00 33.01 29.20 3h46 s GLN 96 CO 0.00 -0.15 1.25 -2.30 -0.25 0.00 0.00 175.29 173.84 3h46 n PRO 97 N 4.51 1.78 0.10 2.91 -0.02 -1.26 -1.40 135.00 141.62 3h46 n PRO 97 Ca 0.03 0.64 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 3h46 n PRO 97 Cb 0.50 -2.40 0.46 0.00 -0.02 0.00 0.00 33.50 32.04 3h46 n PRO 97 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3h46 n ILE 98 N -0.52 0.75 -3.84 4.25 -5.35 -0.43 -4.86 119.36 109.36 3h46 n ILE 98 Ca 0.08 0.10 0.02 0.00 -0.27 0.00 0.00 62.75 62.68 3h46 n ILE 98 Cb 0.41 -0.97 0.01 0.00 -1.74 0.00 0.00 39.64 37.35 3h46 n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h46 s ALA 99 N -3.21 -2.32 0.62 -1.28 0.00 -1.26 -5.07 121.76 109.24 3h46 s ALA 99 Ca 0.07 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 3h46 s ALA 99 Cb 0.11 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 3h46 s ALA 99 CO 0.43 -1.11 1.15 0.09 0.00 0.00 0.00 175.76 176.32 3h46 n ASN 100 N -0.87 1.53 -4.76 0.00 3.02 -1.26 -4.80 115.26 108.12 3h46 n ASN 100 Ca -0.01 0.83 -0.37 0.00 -0.03 0.00 0.00 54.58 55.00 3h46 n ASN 100 Cb 0.60 -1.48 0.01 0.00 -0.61 0.00 0.00 39.78 38.30 3h46 n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h46 s ALA 101 N -1.43 2.87 -0.27 5.41 0.00 0.14 -4.88 121.76 123.59 3h46 s ALA 101 Ca 0.79 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 53.65 3h46 s ALA 101 Cb -0.40 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 3h46 s ALA 101 CO 0.44 -0.87 0.20 0.42 0.00 0.00 0.00 175.76 175.95 3h46 s ILE 102 N -1.52 5.31 0.61 0.00 1.01 -0.62 -1.97 121.20 124.02 3h46 s ILE 102 Ca 0.68 0.21 -0.15 0.00 0.00 0.00 0.00 60.65 61.39 3h46 s ILE 102 Cb -0.31 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 3h46 s ILE 102 CO 0.36 0.26 1.06 -0.69 0.00 0.00 0.00 174.94 175.93 3h46 s VAL 103 N 1.64 3.85 0.56 2.92 1.01 -0.69 -1.50 120.40 128.19 3h46 s VAL 103 Ca 0.08 0.82 0.26 0.00 0.00 0.00 0.00 61.98 63.14 3h46 s VAL 103 Cb -0.15 -3.38 0.36 0.00 0.00 0.00 0.00 36.38 33.20 3h46 s VAL 103 CO 0.10 -0.57 2.07 4.11 0.00 0.00 0.00 175.10 180.80 3h46 h TRP 104 N 0.22 0.00 0.00 5.22 5.08 -1.82 0.30 115.95 124.94 3h46 h TRP 104 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3h46 h TRP 104 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3h46 h TRP 104 CO 0.59 0.00 0.00 1.96 -1.28 0.00 0.00 178.44 179.71 3h46 h GLN 105 N 0.00 0.00 -6.85 0.12 4.20 -1.90 -3.41 115.11 107.28 3h46 h GLN 105 Ca 0.13 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.36 3h46 h GLN 105 Cb 0.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 3h46 h GLN 105 CO -0.00 0.00 0.34 0.45 -0.67 0.00 0.00 178.83 178.95 3h46 s SER 106 N -5.39 7.40 -0.04 1.46 0.15 0.09 -4.80 113.70 112.57 3h46 s SER 106 Ca 0.01 1.85 0.16 0.00 0.70 0.00 0.00 55.95 58.67 3h46 s SER 106 Cb 0.09 -2.58 0.50 0.00 -1.71 0.00 0.00 66.02 62.32 3h46 s SER 106 CO 0.50 -0.02 1.42 0.54 1.20 0.00 0.00 173.24 176.88 3h46 n ARG 107 N 0.76 3.02 0.19 5.44 5.12 0.95 -4.52 116.66 127.63 3h46 n ARG 107 Ca 0.01 -2.47 0.05 0.00 -1.93 0.00 0.00 57.85 53.51 3h46 n ARG 107 Cb 0.49 -1.54 0.49 0.00 -1.16 0.00 0.00 32.46 30.75 3h46 n ARG 107 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 3h46 h GLN 108 N 2.98 0.11 -0.53 5.56 3.07 -1.93 -1.39 115.11 122.97 3h46 h GLN 108 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 3h46 h GLN 108 Cb 1.02 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.57 3h46 h GLN 108 CO 0.07 0.21 0.00 -1.13 0.09 0.00 0.00 178.83 178.07 3h46 n SER 109 N -4.36 2.57 -0.33 0.06 3.41 -1.26 -4.47 113.62 109.24 3h46 n SER 109 Ca -0.02 -2.18 0.04 0.00 -0.26 0.00 0.00 58.87 56.46 3h46 n SER 109 Cb 0.21 -0.38 0.19 0.00 -0.26 0.00 0.00 64.21 63.96 3h46 n SER 109 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3h46 h SER 110 N 2.19 0.86 -0.94 4.04 0.02 -1.59 -2.18 113.55 115.95 3h46 h SER 110 Ca 0.00 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3h46 h SER 110 Cb 0.79 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.13 3h46 h SER 110 CO 0.09 0.50 0.60 -0.65 -1.14 0.00 0.00 176.83 176.24 3h46 h PRO 111 N 0.96 0.98 -0.33 3.45 0.11 -1.82 0.69 132.00 136.04 3h46 h PRO 111 Ca 0.44 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 3h46 h PRO 111 Cb 0.34 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3h46 h PRO 111 CO -0.23 0.65 0.08 0.82 -0.21 0.00 0.00 178.00 179.10 3h46 h ILE 112 N 1.01 1.22 -0.41 4.15 2.04 -1.74 -1.71 117.51 122.07 3h46 h ILE 112 Ca 0.42 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3h46 h ILE 112 Cb 0.31 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3h46 h ILE 112 CO -0.18 0.25 0.24 0.00 0.00 0.00 0.00 178.15 178.46 3h46 h ALA 113 N 0.91 0.52 -0.41 1.87 0.00 -1.01 -2.41 119.26 118.75 3h46 h ALA 113 Ca 0.10 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3h46 h ALA 113 Cb 0.30 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3h46 h ALA 113 CO 0.00 0.03 0.11 -0.44 0.00 0.00 0.00 179.25 178.95 3h46 h ASP 114 N 0.54 0.07 -0.55 0.00 3.32 0.48 -1.58 116.42 118.69 3h46 h ASP 114 Ca 0.15 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3h46 h ASP 114 Cb 0.02 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3h46 h ASP 114 CO -0.03 0.07 0.30 -0.61 -1.72 0.00 0.00 179.24 177.26 3h46 h GLN 115 N 0.25 0.78 -0.99 3.56 5.75 -1.18 -0.27 115.11 123.01 3h46 h GLN 115 Ca 0.19 -0.09 0.08 0.00 -0.15 0.00 0.00 58.65 58.67 3h46 h GLN 115 Cb 0.21 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 28.54 3h46 h GLN 115 CO -0.23 0.61 0.64 -0.07 -2.65 0.00 0.00 178.83 177.13 3h46 h LEU 116 N 0.75 1.00 -0.30 -2.39 3.38 -0.96 -0.39 115.31 116.41 3h46 h LEU 116 Ca 0.19 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 3h46 h LEU 116 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3h46 h LEU 116 CO -0.03 0.62 -0.20 0.11 0.09 0.00 0.00 178.44 179.03 3h46 h LYS 117 N 1.12 0.66 -0.74 1.13 1.57 -0.41 -2.01 116.57 117.89 3h46 h LYS 117 Ca 0.44 -0.32 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3h46 h LYS 117 Cb 0.24 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3h46 h LYS 117 CO -0.19 0.91 0.49 0.28 -0.57 0.00 0.00 179.45 180.37 3h46 h VAL 118 N 0.41 1.00 -0.21 0.50 2.07 -0.62 -1.86 116.25 117.53 3h46 h VAL 118 Ca 0.06 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3h46 h VAL 118 Cb 0.75 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3h46 h VAL 118 CO 0.06 0.13 0.00 0.47 0.02 0.00 0.00 177.57 178.25 3h46 n ASP 119 N -4.49 2.10 -0.72 0.57 8.00 -0.20 -4.92 116.55 116.90 3h46 n ASP 119 Ca 0.11 -2.19 -0.09 0.00 0.71 0.00 0.00 54.79 53.33 3h46 n ASP 119 Cb 0.26 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.90 3h46 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h46 n GLY 120 N 0.45 1.09 0.25 0.44 0.00 -0.70 -4.92 105.19 101.81 3h46 n GLY 120 Ca 0.09 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.66 3h46 n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h46 n HIS 121 N -2.70 0.08 0.16 1.61 8.25 -0.76 -4.36 115.22 117.49 3h46 n HIS 121 Ca -0.09 -0.04 -0.12 0.00 -0.26 0.00 0.00 57.72 57.21 3h46 n HIS 121 Cb 0.32 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.36 3h46 n HIS 121 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3h46 h THR 122 N 1.03 0.00 -1.01 1.59 2.02 -1.87 -1.96 112.91 112.72 3h46 h THR 122 Ca 0.00 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.44 3h46 h THR 122 Cb 0.23 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.51 3h46 h THR 122 CO 0.00 0.00 0.60 -0.08 0.37 0.00 0.00 175.52 176.41 3h46 h GLU 123 N -0.63 0.50 0.20 6.66 4.81 -2.00 -1.50 114.58 122.63 3h46 h GLU 123 Ca -0.03 -0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 58.86 3h46 h GLU 123 Cb 0.57 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.86 3h46 h GLU 123 CO -0.10 0.33 -1.40 1.98 -0.73 0.00 0.00 179.01 179.09 3h46 h MET 124 N 0.52 0.42 -0.09 1.92 4.05 -1.80 -2.28 114.93 117.66 3h46 h MET 124 Ca 0.66 -0.72 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 3h46 h MET 124 Cb 1.34 0.27 -0.00 0.00 -0.80 0.00 0.00 31.60 32.41 3h46 h MET 124 CO -0.49 1.34 0.03 0.82 0.23 0.00 0.00 176.91 178.84 3h46 h ILE 125 N 0.11 1.19 -0.21 1.77 2.04 -1.03 -2.44 117.51 118.94 3h46 h ILE 125 Ca -0.21 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3h46 h ILE 125 Cb 2.09 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 3h46 h ILE 125 CO 0.24 0.16 0.13 -0.74 0.00 0.00 0.00 178.15 177.95 3h46 h HIS 126 N -0.05 0.25 -0.67 1.37 2.76 -1.37 -0.80 115.15 116.64 3h46 h HIS 126 Ca 0.03 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.23 3h46 h HIS 126 Cb 0.23 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 3h46 h HIS 126 CO 0.00 0.15 0.44 0.93 -1.30 0.00 0.00 177.93 178.16 3h46 h GLU 127 N 0.27 0.81 0.06 5.26 5.08 -1.44 -0.67 114.58 123.95 3h46 h GLU 127 Ca 0.08 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 58.13 3h46 h GLU 127 Cb -0.02 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.06 3h46 h GLU 127 CO -0.03 0.54 -1.11 0.87 -1.00 0.00 0.00 179.01 178.28 3h46 h LYS 128 N 0.83 0.48 0.00 2.33 1.57 -1.08 -3.41 116.57 117.29 3h46 h LYS 128 Ca 0.26 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3h46 h LYS 128 Cb 0.02 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3h46 h LYS 128 CO -0.07 1.24 -0.67 0.25 -0.57 0.00 0.00 179.45 179.63 3h46 n THR 129 N -3.73 0.00 -0.75 -0.16 -2.24 -0.34 -1.73 114.28 105.33 3h46 n THR 129 Ca -0.10 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3h46 n THR 129 Cb 0.92 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 3h46 n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h46 n GLY 130 N 1.60 1.29 0.48 3.38 0.00 -0.27 -4.70 105.19 106.96 3h46 n GLY 130 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3h46 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h46 n LEU 131 N 0.00 0.00 -4.29 0.99 4.77 -1.26 -0.72 117.00 116.50 3h46 n LEU 131 Ca 0.00 -0.33 -0.17 0.00 -0.03 0.00 0.00 56.01 55.48 3h46 n LEU 131 Cb 0.00 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 3h46 n LEU 131 CO 0.00 -0.42 -0.44 0.68 -1.33 0.00 0.00 177.39 175.88 3h46 s VAL 132 N 0.16 1.46 -0.29 4.08 -7.23 -1.26 -3.97 120.40 113.35 3h46 s VAL 132 Ca 0.06 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 3h46 s VAL 132 Cb -0.00 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 35.11 3h46 s VAL 132 CO 0.04 -0.57 1.37 -0.63 -0.31 0.00 0.00 175.10 174.99 3h46 s ILE 133 N -2.76 4.05 -0.14 -0.62 1.01 -1.26 -4.93 121.20 116.54 3h46 s ILE 133 Ca 0.16 1.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.70 3h46 s ILE 133 Cb -0.01 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.47 3h46 s ILE 133 CO 0.04 -0.45 0.78 -0.62 0.00 0.00 0.00 174.94 174.69 3h46 s ASP 134 N 3.11 -0.60 0.66 3.58 2.15 -1.26 -4.95 116.67 119.36 3h46 s ASP 134 Ca 0.59 0.83 0.30 0.00 0.43 0.00 0.00 52.55 54.71 3h46 s ASP 134 Cb -0.18 0.73 1.66 0.00 -0.30 0.00 0.00 42.92 44.83 3h46 s ASP 134 CO 0.25 -0.43 1.95 0.00 -0.17 0.00 0.00 175.17 176.76 3h46 h ALA 135 N 3.47 1.42 -0.80 3.66 0.00 -1.89 -2.76 119.26 122.35 3h46 h ALA 135 Ca -0.26 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 54.84 3h46 h ALA 135 Cb 1.15 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 3h46 h ALA 135 CO 0.27 -0.35 0.19 -0.92 0.00 0.00 0.00 179.25 178.44 3h46 h TYR 136 N 0.00 0.28 -3.38 0.00 3.20 -1.79 -3.45 116.97 111.83 3h46 h TYR 136 Ca 0.02 0.05 -0.46 0.00 3.14 0.00 0.00 58.73 61.48 3h46 h TYR 136 Cb 0.68 0.01 0.05 0.00 1.54 0.00 0.00 36.73 39.01 3h46 h TYR 136 CO 0.00 -0.15 0.11 -0.06 -1.64 0.00 0.00 178.16 176.42 3h46 s PHE 137 N -6.01 3.14 0.32 -3.82 0.08 -1.04 -4.64 117.98 106.02 3h46 s PHE 137 Ca -0.13 0.46 0.09 0.00 0.12 0.00 0.00 56.93 57.47 3h46 s PHE 137 Cb 0.23 -2.74 0.56 0.00 -0.57 0.00 0.00 43.02 40.50 3h46 s PHE 137 CO 0.76 -0.85 1.75 0.77 -0.10 0.00 0.00 175.22 177.55 3h46 h SER 138 N -0.12 0.15 -0.34 1.36 0.02 -1.57 -3.33 113.55 109.72 3h46 h SER 138 Ca -0.45 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 60.49 3h46 h SER 138 Cb 1.27 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 3h46 h SER 138 CO 0.59 0.53 0.08 0.00 -1.14 0.00 0.00 176.83 176.89 3h46 h ALA 139 N 1.48 0.37 0.00 3.77 0.00 -0.51 0.12 119.26 124.48 3h46 h ALA 139 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h46 h ALA 139 Cb 0.75 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3h46 h ALA 139 CO 0.06 -0.33 0.00 1.79 0.00 0.00 0.00 179.25 180.77 3h46 h THR 140 N 0.20 0.00 -0.09 0.00 1.35 -1.85 -2.15 112.91 110.37 3h46 h THR 140 Ca 0.16 -0.68 -0.14 0.00 -0.55 0.00 0.00 66.41 65.21 3h46 h THR 140 Cb 0.17 1.66 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3h46 h THR 140 CO -0.20 0.00 -0.49 0.11 -0.25 0.00 0.00 175.52 174.68 3h46 h LYS 141 N 0.00 0.49 -0.39 4.72 1.57 -0.99 0.05 116.57 122.02 3h46 h LYS 141 Ca 0.00 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.39 3h46 h LYS 141 Cb 0.70 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 3h46 h LYS 141 CO 0.00 1.04 0.21 0.28 -0.57 0.00 0.00 179.45 180.41 3h46 h VAL 142 N 0.07 1.01 -0.69 0.50 2.07 -0.91 -1.88 116.25 116.42 3h46 h VAL 142 Ca -0.04 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3h46 h VAL 142 Cb 1.15 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 3h46 h VAL 142 CO 0.10 0.08 0.42 -0.09 0.02 0.00 0.00 177.57 178.10 3h46 h ARG 143 N 0.43 0.79 -0.49 1.57 9.65 -1.27 -0.35 114.38 124.71 3h46 h ARG 143 Ca 0.16 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 59.05 3h46 h ARG 143 Cb 0.04 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 28.39 3h46 h ARG 143 CO -0.09 0.52 0.20 2.35 2.80 0.00 0.00 179.97 185.75 3h46 h TRP 144 N 0.82 0.36 -0.75 2.20 7.01 -0.65 0.18 115.95 125.11 3h46 h TRP 144 Ca 0.29 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.26 3h46 h TRP 144 Cb 0.06 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 3h46 h TRP 144 CO -0.05 0.14 0.26 -0.07 -2.79 0.00 0.00 178.44 175.94 3h46 h LEU 145 N 0.40 1.07 -0.61 0.65 3.38 -0.64 0.17 115.31 119.73 3h46 h LEU 145 Ca 0.23 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3h46 h LEU 145 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3h46 h LEU 145 CO -0.21 0.97 -0.54 -0.07 0.09 0.00 0.00 178.44 178.69 3h46 h LEU 146 N 1.10 0.00 -0.18 1.67 3.38 -0.60 -1.23 115.31 119.46 3h46 h LEU 146 Ca 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3h46 h LEU 146 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3h46 h LEU 146 CO -0.01 0.54 -0.22 0.44 0.09 0.00 0.00 178.44 179.27 3h46 h ASP 147 N 0.00 0.50 0.00 -0.43 3.32 -0.34 -3.34 116.42 116.13 3h46 h ASP 147 Ca -0.01 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3h46 h ASP 147 Cb 1.14 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3h46 h ASP 147 CO 0.07 0.90 -1.29 0.59 -1.72 0.00 0.00 179.24 177.79 3h46 n ASN 148 N -4.44 1.12 -4.47 6.45 3.02 0.02 -4.82 115.26 112.13 3h46 n ASN 148 Ca -0.06 -0.37 -0.43 0.00 -0.03 0.00 0.00 54.58 53.69 3h46 n ASN 148 Cb 0.42 1.41 -0.08 0.00 -0.61 0.00 0.00 39.78 40.91 3h46 n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h46 s ILE 149 N -2.81 5.06 0.03 2.41 -1.09 -0.47 -5.03 121.20 119.31 3h46 s ILE 149 Ca -0.01 -0.41 -0.36 0.00 -2.23 0.00 0.00 60.65 57.64 3h46 s ILE 149 Cb 0.11 -4.09 -0.15 0.00 -1.58 0.00 0.00 42.46 36.75 3h46 s ILE 149 CO 0.64 -0.49 1.56 -0.62 -1.23 0.00 0.00 174.94 174.80 3h46 n GLU 150 N 5.67 1.66 0.00 2.79 -0.58 -1.26 -0.76 120.64 128.16 3h46 n GLU 150 Ca -0.07 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 3h46 n GLU 150 Cb 0.47 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.01 3h46 n GLU 150 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h46 n GLY 151 N 3.36 2.32 0.31 0.62 0.00 -1.26 -4.91 105.19 105.62 3h46 n GLY 151 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 3h46 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h46 h ALA 152 N 0.00 0.98 -0.57 4.61 0.00 -1.24 -1.89 119.26 121.15 3h46 h ALA 152 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3h46 h ALA 152 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3h46 h ALA 152 CO 0.00 0.49 0.05 0.37 0.00 0.00 0.00 179.25 180.16 3h46 h GLN 153 N 1.05 0.98 -0.38 0.00 5.75 -1.77 -0.18 115.11 120.55 3h46 h GLN 153 Ca 0.27 -0.29 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3h46 h GLN 153 Cb 0.04 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3h46 h GLN 153 CO -0.04 0.95 0.14 1.49 -2.65 0.00 0.00 178.83 178.71 3h46 h GLU 154 N 0.87 0.58 -0.90 1.69 4.81 -1.85 -0.24 114.58 119.54 3h46 h GLU 154 Ca 0.17 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3h46 h GLU 154 Cb 0.48 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 3h46 h GLU 154 CO 0.02 0.58 0.53 0.87 -0.73 0.00 0.00 179.01 180.28 3h46 h LYS 155 N 0.47 1.23 -0.38 1.92 1.57 -1.19 -1.92 116.57 118.27 3h46 h LYS 155 Ca 0.13 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3h46 h LYS 155 Cb 0.22 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3h46 h LYS 155 CO -0.01 0.87 0.24 0.00 -0.57 0.00 0.00 179.45 179.98 3h46 h ALA 156 N 1.34 0.48 0.00 3.86 0.00 -0.73 -1.20 119.26 123.01 3h46 h ALA 156 Ca 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3h46 h ALA 156 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3h46 h ALA 156 CO -0.06 -0.03 -0.05 -0.44 0.00 0.00 0.00 179.25 178.67 3h46 h ASP 157 N 0.50 0.00 -0.58 0.00 3.32 -0.74 -2.33 116.42 116.60 3h46 h ASP 157 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3h46 h ASP 157 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3h46 h ASP 157 CO -0.03 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 3h46 n ASN 158 N -3.42 5.37 -0.71 6.45 3.02 -0.75 -4.95 115.26 120.27 3h46 n ASN 158 Ca -0.02 -2.80 -0.09 0.00 -0.03 0.00 0.00 54.58 51.64 3h46 n ASN 158 Cb 0.18 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 3h46 n ASN 158 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h46 n GLY 159 N 0.70 1.09 0.02 7.41 0.00 -0.87 -4.91 105.19 108.63 3h46 n GLY 159 Ca 0.27 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.86 3h46 n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h46 n GLU 160 N -2.60 0.41 -4.83 1.61 1.02 -0.50 -4.93 120.64 110.81 3h46 n GLU 160 Ca -0.09 -0.07 -0.31 0.00 -0.02 0.00 0.00 57.16 56.67 3h46 n GLU 160 Cb 0.32 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 3h46 n GLU 160 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h46 s LEU 161 N -4.10 2.41 0.09 -4.62 1.43 -1.25 -1.06 118.68 111.58 3h46 s LEU 161 Ca -0.01 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.71 3h46 s LEU 161 Cb 0.14 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 3h46 s LEU 161 CO 0.86 0.27 -0.19 -0.76 0.23 0.00 0.00 176.35 176.76 3h46 s LEU 162 N -1.22 2.64 0.03 1.79 1.43 0.57 -4.27 118.68 119.66 3h46 s LEU 162 Ca 0.13 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3h46 s LEU 162 Cb -0.10 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3h46 s LEU 162 CO 0.03 0.20 0.02 0.12 0.23 0.00 0.00 176.35 176.95 3h46 s PHE 163 N -1.06 3.09 -0.27 0.29 5.36 0.12 -0.79 117.98 124.71 3h46 s PHE 163 Ca 0.17 0.06 -0.25 0.00 -0.96 0.00 0.00 56.93 55.95 3h46 s PHE 163 Cb -0.10 -1.64 0.08 0.00 -0.34 0.00 0.00 43.02 41.02 3h46 s PHE 163 CO 0.08 0.48 0.78 0.20 -1.46 0.00 0.00 175.22 175.30 3h46 s GLY 164 N -1.88 -0.47 1.08 13.12 0.00 -0.21 -4.30 107.32 114.66 3h46 s GLY 164 Ca 0.23 2.15 -0.17 0.00 0.00 0.00 0.00 44.72 46.92 3h46 s GLY 164 CO 0.14 1.77 1.19 -0.51 0.00 0.00 0.00 173.10 175.69 3h46 s THR 165 N 0.36 1.79 0.25 0.90 -4.23 -1.26 -0.72 115.64 112.73 3h46 s THR 165 Ca 0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.47 3h46 s THR 165 Cb -0.05 -2.70 0.19 0.00 1.34 0.00 0.00 72.50 71.27 3h46 s THR 165 CO -0.00 0.00 1.84 0.40 -0.54 0.00 0.00 174.62 176.32 3h46 h ILE 166 N -2.12 1.24 -0.36 2.99 1.08 -1.79 -1.96 117.51 116.58 3h46 h ILE 166 Ca -0.45 -0.71 0.08 0.00 -0.39 0.00 0.00 64.86 63.39 3h46 h ILE 166 Cb 1.28 0.29 -0.08 0.00 -3.07 0.00 0.00 36.82 35.24 3h46 h ILE 166 CO 0.39 0.30 -0.14 -2.24 -0.69 0.00 0.00 178.15 175.76 3h46 h ASP 167 N 1.08 -0.50 -0.44 1.72 2.03 -1.93 -0.06 116.42 118.32 3h46 h ASP 167 Ca 0.26 0.13 -0.04 0.00 -0.73 0.00 0.00 57.03 56.65 3h46 h ASP 167 Cb 0.14 0.29 -0.02 0.00 -0.83 0.00 0.00 39.33 38.91 3h46 h ASP 167 CO -0.03 -0.18 0.14 -1.28 -1.03 0.00 0.00 179.24 176.86 3h46 h SER 168 N -0.08 0.64 -0.33 4.15 0.87 -1.53 -1.49 113.55 115.79 3h46 h SER 168 Ca 0.18 -0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3h46 h SER 168 Cb 0.35 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3h46 h SER 168 CO -0.41 0.68 0.09 -0.25 -0.53 0.00 0.00 176.83 176.41 3h46 h TRP 169 N 0.57 0.16 -0.68 2.24 2.91 -1.00 -0.96 115.95 119.20 3h46 h TRP 169 Ca 0.14 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.13 3h46 h TRP 169 Cb 0.27 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 28.86 3h46 h TRP 169 CO 0.01 0.06 0.23 -0.07 -1.03 0.00 0.00 178.44 177.65 3h46 h LEU 170 N 0.22 0.97 -0.82 0.65 3.38 -0.82 -0.45 115.31 118.45 3h46 h LEU 170 Ca 0.15 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3h46 h LEU 170 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3h46 h LEU 170 CO -0.17 0.90 -0.16 0.58 0.09 0.00 0.00 178.44 179.68 3h46 h VAL 171 N 0.98 1.26 -0.17 1.22 2.07 -1.15 0.26 116.25 120.71 3h46 h VAL 171 Ca 0.22 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3h46 h VAL 171 Cb 0.27 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3h46 h VAL 171 CO -0.01 0.41 0.08 -0.25 0.02 0.00 0.00 177.57 177.82 3h46 h TRP 172 N 0.64 0.24 -0.48 1.57 2.91 -0.90 -1.42 115.95 118.51 3h46 h TRP 172 Ca 0.10 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 3h46 h TRP 172 Cb 0.63 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.18 3h46 h TRP 172 CO 0.03 0.28 0.26 0.87 -1.03 0.00 0.00 178.44 178.84 3h46 h LYS 173 N 0.14 0.68 -0.27 2.65 1.79 -0.89 0.34 116.57 121.00 3h46 h LYS 173 Ca 0.06 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 3h46 h LYS 173 Cb 0.12 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3h46 h LYS 173 CO -0.01 0.54 0.01 -0.07 -1.08 0.00 0.00 179.45 178.84 3h46 h LEU 174 N 0.64 0.38 -2.04 2.94 3.38 -0.85 -2.07 115.31 117.68 3h46 h LEU 174 Ca 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3h46 h LEU 174 Cb 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3h46 h LEU 174 CO -0.03 0.44 0.00 0.35 0.09 0.00 0.00 178.44 179.29 3h46 n THR 175 N -4.32 0.76 -4.27 0.22 -2.24 -0.54 -1.74 114.28 102.15 3h46 n THR 175 Ca 0.01 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.74 3h46 n THR 175 Cb 0.21 0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 68.72 3h46 n THR 175 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h46 n ASP 176 N 1.11 0.41 0.00 3.42 2.03 -0.78 -1.99 116.55 120.75 3h46 n ASP 176 Ca 0.18 -1.22 0.00 0.00 0.52 0.00 0.00 54.79 54.27 3h46 n ASP 176 Cb 0.47 -1.89 0.00 0.00 -0.72 0.00 0.00 41.12 38.98 3h46 n ASP 176 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h46 n GLY 177 N -2.33 0.69 0.08 0.27 0.00 0.11 -4.93 105.19 99.07 3h46 n GLY 177 Ca -0.28 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 3h46 n GLY 177 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3h46 h GLN 178 N 2.25 0.00 -4.15 1.61 4.20 -1.62 -3.46 115.11 113.94 3h46 h GLN 178 Ca 0.00 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.26 3h46 h GLN 178 Cb 0.00 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 27.44 3h46 h GLN 178 CO 0.00 0.92 -0.79 0.08 -0.67 0.00 0.00 178.83 178.37 3h46 s VAL 179 N -2.91 0.71 -0.44 -0.54 1.01 -1.26 -5.09 120.40 111.89 3h46 s VAL 179 Ca 0.01 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3h46 s VAL 179 Cb 0.11 -0.72 0.12 0.00 0.00 0.00 0.00 36.38 35.89 3h46 s VAL 179 CO 0.81 0.27 0.19 -2.28 0.00 0.00 0.00 175.10 174.09 3h46 s HIS 180 N 1.00 2.95 0.14 5.22 2.46 -1.26 -3.66 115.29 122.14 3h46 s HIS 180 Ca -0.09 -2.86 0.02 0.00 0.47 0.00 0.00 55.06 52.60 3h46 s HIS 180 Cb -0.14 -2.56 -0.04 0.00 -0.13 0.00 0.00 32.58 29.70 3h46 s HIS 180 CO -0.00 -0.81 -0.03 0.54 -2.47 0.00 0.00 174.74 171.97 3h46 s VAL 181 N 0.30 0.70 0.06 0.89 0.11 -1.26 -2.05 120.40 119.15 3h46 s VAL 181 Ca 0.15 -1.97 -0.14 0.00 -2.93 0.00 0.00 61.98 57.09 3h46 s VAL 181 Cb -0.23 -1.94 0.02 0.00 -1.53 0.00 0.00 36.38 32.70 3h46 s VAL 181 CO -0.04 -0.64 0.31 0.28 -3.33 0.00 0.00 175.10 171.69 3h46 s THR 182 N -3.63 0.08 0.41 5.04 -1.32 -0.48 -4.01 115.64 111.73 3h46 s THR 182 Ca 0.19 -0.70 -0.01 0.00 -1.21 0.00 0.00 61.69 59.97 3h46 s THR 182 Cb 0.06 -1.01 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 3h46 s THR 182 CO 0.01 -0.38 0.64 1.51 -2.21 0.00 0.00 174.62 174.18 3h46 s ASP 183 N -2.23 6.12 0.26 8.08 -4.77 -1.26 -0.65 116.67 122.22 3h46 s ASP 183 Ca -0.03 0.48 -0.05 0.00 -3.30 0.00 0.00 52.55 49.65 3h46 s ASP 183 Cb 0.00 -1.89 0.50 0.00 -1.09 0.00 0.00 42.92 40.44 3h46 s ASP 183 CO -0.05 -0.50 1.64 1.88 0.70 0.00 0.00 175.17 178.84 3h46 h TYR 184 N 0.52 0.03 -0.04 2.11 0.05 -1.49 -0.40 116.97 117.76 3h46 h TYR 184 Ca -0.48 0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.35 3h46 h TYR 184 Cb 1.23 0.11 -0.00 0.00 1.01 0.00 0.00 36.73 39.08 3h46 h TYR 184 CO 0.50 -0.24 0.00 0.66 -1.05 0.00 0.00 178.16 178.04 3h46 h SER 185 N 0.12 0.06 -0.38 3.88 4.64 -1.87 -0.58 113.55 119.42 3h46 h SER 185 Ca 0.45 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3h46 h SER 185 Cb 0.81 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3h46 h SER 185 CO -0.67 0.31 0.25 0.78 -0.87 0.00 0.00 176.83 176.63 3h46 h ASN 186 N -0.20 0.43 -0.91 4.97 2.35 -1.83 -2.84 115.58 117.54 3h46 h ASN 186 Ca 0.01 -0.01 0.15 0.00 -0.55 0.00 0.00 56.30 55.90 3h46 h ASN 186 Cb 0.28 -0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.45 3h46 h ASN 186 CO 0.00 0.31 0.51 0.00 -1.65 0.00 0.00 177.43 176.60 3h46 h ALA 187 N 1.15 1.39 0.00 -0.83 0.00 -0.87 -2.16 119.26 117.94 3h46 h ALA 187 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h46 h ALA 187 Cb -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3h46 h ALA 187 CO -0.04 -0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.86 3h46 h SER 188 N 0.73 0.00 0.14 0.00 4.64 -0.85 -2.49 113.55 115.71 3h46 h SER 188 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3h46 h SER 188 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3h46 h SER 188 CO -0.34 0.00 -0.21 0.54 -0.87 0.00 0.00 176.83 175.96 3h46 n ARG 189 N -2.62 1.14 0.20 4.77 5.12 -0.81 -4.15 116.66 120.31 3h46 n ARG 189 Ca 0.00 -0.72 0.08 0.00 -1.93 0.00 0.00 57.85 55.28 3h46 n ARG 189 Cb 0.18 -1.49 0.25 0.00 -1.16 0.00 0.00 32.46 30.24 3h46 n ARG 189 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3h46 h THR 190 N 1.76 0.48 -0.28 0.55 1.35 -1.54 -3.26 112.91 111.98 3h46 h THR 190 Ca 0.00 -1.44 -0.12 0.00 -0.55 0.00 0.00 66.41 64.30 3h46 h THR 190 Cb 0.55 2.04 -0.05 0.00 -1.73 0.00 0.00 68.15 68.97 3h46 h THR 190 CO 0.00 0.25 -0.11 0.80 -0.25 0.00 0.00 175.52 176.21 3h46 n MET 191 N -3.23 -0.88 0.00 4.72 1.56 -1.26 0.26 117.12 118.28 3h46 n MET 191 Ca 0.02 0.60 0.03 0.00 -0.27 0.00 0.00 57.70 58.07 3h46 n MET 191 Cb 0.56 -4.47 0.02 0.00 2.15 0.00 0.00 33.22 31.47 3h46 n MET 191 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3h46 n LEU 192 N -0.67 1.36 -4.35 -0.89 4.77 -1.26 -4.84 117.00 111.12 3h46 n LEU 192 Ca -0.06 -0.95 -0.33 0.00 -0.03 0.00 0.00 56.01 54.64 3h46 n LEU 192 Cb 0.31 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 3h46 n LEU 192 CO 0.09 0.28 -0.44 -0.47 -1.33 0.00 0.00 177.39 175.52 3h46 s TYR 193 N -0.61 2.83 -0.33 -1.77 5.04 -1.26 -1.16 117.35 120.09 3h46 s TYR 193 Ca 0.06 -0.73 -0.27 0.00 -2.44 0.00 0.00 57.07 53.70 3h46 s TYR 193 Cb 0.05 -1.88 0.01 0.00 0.35 0.00 0.00 41.96 40.49 3h46 s TYR 193 CO 0.09 -0.28 0.97 1.21 -1.34 0.00 0.00 175.55 176.19 3h46 s ASN 194 N 0.54 6.79 0.17 4.32 3.84 -0.01 -4.38 114.94 126.22 3h46 s ASN 194 Ca -0.08 0.82 0.25 0.00 0.21 0.00 0.00 52.86 54.06 3h46 s ASN 194 Cb -0.16 -2.49 0.53 0.00 -0.55 0.00 0.00 41.25 38.58 3h46 s ASN 194 CO 0.04 -0.82 1.51 0.16 -2.79 0.00 0.00 177.10 175.20 3h46 h ILE 195 N 5.73 0.00 0.00 -5.21 3.07 -1.62 -0.88 117.51 118.61 3h46 h ILE 195 Ca -0.22 -0.51 -0.00 0.00 1.55 0.00 0.00 64.86 65.68 3h46 h ILE 195 Cb 1.07 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 3h46 h ILE 195 CO 0.98 0.00 -0.00 0.45 -1.05 0.00 0.00 178.15 178.53 3h46 h HIS 196 N 0.00 -0.01 0.00 0.16 3.86 -1.90 -3.37 115.15 113.90 3h46 h HIS 196 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h46 h HIS 196 Cb 0.76 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.23 3h46 h HIS 196 CO 0.00 0.86 -0.21 1.63 0.86 0.00 0.00 177.93 181.07 3h46 n LYS 197 N -4.66 0.01 -3.55 2.45 5.02 -1.25 -4.98 118.16 111.19 3h46 n LYS 197 Ca -0.09 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.01 3h46 n LYS 197 Cb 0.42 -1.51 0.06 0.00 -0.02 0.00 0.00 35.03 33.98 3h46 n LYS 197 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h46 n LEU 198 N -1.52 -3.71 -3.63 -0.35 4.77 -0.34 -5.02 117.00 107.19 3h46 n LEU 198 Ca 0.06 -0.75 -0.10 0.00 -0.03 0.00 0.00 56.01 55.19 3h46 n LEU 198 Cb 0.34 -2.88 -0.04 0.00 -2.33 0.00 0.00 43.42 38.51 3h46 n LEU 198 CO 0.30 0.37 0.21 -1.83 -1.33 0.00 0.00 177.39 175.11 3h46 s GLU 199 N -5.58 1.15 0.37 3.23 -1.05 -1.16 -5.01 118.70 110.67 3h46 s GLU 199 Ca 0.08 -0.71 -0.28 0.00 -0.15 0.00 0.00 54.97 53.90 3h46 s GLU 199 Cb -0.02 0.49 -0.11 0.00 -0.44 0.00 0.00 34.13 34.06 3h46 s GLU 199 CO 0.78 -0.46 1.50 0.91 0.95 0.00 0.00 175.26 178.93 3h46 n TRP 200 N -0.26 3.00 -3.03 4.83 7.02 -1.26 -0.83 117.44 126.91 3h46 n TRP 200 Ca -0.15 0.43 -0.43 0.00 -1.02 0.00 0.00 57.50 56.33 3h46 n TRP 200 Cb 0.64 -2.54 -0.06 0.00 -2.42 0.00 0.00 31.31 26.93 3h46 n TRP 200 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h46 s ASP 201 N -0.09 6.32 0.27 -0.99 2.15 -0.31 -4.76 116.67 119.26 3h46 s ASP 201 Ca 0.54 -0.44 -0.02 0.00 0.43 0.00 0.00 52.55 53.05 3h46 s ASP 201 Cb -0.48 -2.35 0.42 0.00 -0.30 0.00 0.00 42.92 40.21 3h46 s ASP 201 CO 0.63 -0.94 1.87 -0.61 -0.17 0.00 0.00 175.17 175.95 3h46 h GLN 202 N 9.03 1.09 -0.73 4.34 5.75 -1.92 -1.37 115.11 131.32 3h46 h GLN 202 Ca -0.26 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.13 3h46 h GLN 202 Cb 1.09 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.36 3h46 h GLN 202 CO 0.97 0.72 0.28 1.49 -2.65 0.00 0.00 178.83 179.65 3h46 h GLU 203 N 1.13 1.09 -0.29 1.69 4.81 -1.98 0.33 114.58 121.35 3h46 h GLU 203 Ca 0.44 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3h46 h GLU 203 Cb 0.21 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3h46 h GLU 203 CO -0.19 0.90 -0.03 0.82 -0.73 0.00 0.00 179.01 179.78 3h46 h ILE 204 N 1.04 1.27 -0.85 2.32 2.04 -1.79 -1.99 117.51 119.55 3h46 h ILE 204 Ca 0.24 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.12 3h46 h ILE 204 Cb 0.22 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3h46 h ILE 204 CO -0.02 0.32 0.56 -0.07 0.00 0.00 0.00 178.15 178.95 3h46 h LEU 205 N 0.31 0.94 -0.18 1.44 3.38 -0.92 -2.08 115.31 118.21 3h46 h LEU 205 Ca 0.08 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3h46 h LEU 205 Cb 0.48 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3h46 h LEU 205 CO 0.02 0.66 -0.34 0.44 0.09 0.00 0.00 178.44 179.31 3h46 h ASP 206 N 1.10 0.61 -0.94 -0.43 3.32 -0.89 0.12 116.42 119.31 3h46 h ASP 206 Ca 0.33 -0.54 0.18 0.00 0.02 0.00 0.00 57.03 57.02 3h46 h ASP 206 Cb -0.03 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.26 3h46 h ASP 206 CO -0.09 1.04 0.60 0.25 -1.72 0.00 0.00 179.24 179.32 3h46 h LEU 207 N 0.20 0.63 -2.06 1.55 5.85 -0.99 -2.07 115.31 118.42 3h46 h LEU 207 Ca 0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3h46 h LEU 207 Cb 0.93 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3h46 h LEU 207 CO 0.08 0.26 0.00 0.18 -0.34 0.00 0.00 178.44 178.62 3h46 n LEU 208 N -4.61 3.04 -3.83 2.25 4.77 -0.81 -4.98 117.00 112.83 3h46 n LEU 208 Ca 0.20 -1.23 -0.24 0.00 -0.03 0.00 0.00 56.01 54.72 3h46 n LEU 208 Cb 0.58 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3h46 n LEU 208 CO 0.27 0.59 -0.14 -3.20 -1.33 0.00 0.00 177.39 173.58 3h46 n ASN 209 N 1.28 -0.90 -4.38 -1.43 5.15 -0.25 -4.89 115.26 109.84 3h46 n ASN 209 Ca 0.15 -0.91 -0.38 0.00 -0.60 0.00 0.00 54.58 52.85 3h46 n ASN 209 Cb 0.55 -3.58 -0.12 0.00 -0.53 0.00 0.00 39.78 36.10 3h46 n ASN 209 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h46 s ILE 210 N -3.79 4.18 0.26 -1.44 1.01 -0.13 -5.04 121.20 116.25 3h46 s ILE 210 Ca 0.03 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 3h46 s ILE 210 Cb -0.02 -3.14 -0.11 0.00 0.01 0.00 0.00 42.46 39.20 3h46 s ILE 210 CO 0.85 0.08 1.58 -2.84 0.00 0.00 0.00 174.94 174.61 3h46 s PRO 211 N 1.54 4.16 0.50 2.79 0.02 -1.26 -4.66 135.00 138.09 3h46 s PRO 211 Ca 0.03 2.50 0.32 0.00 0.02 0.00 0.00 61.00 63.88 3h46 s PRO 211 Cb -0.17 -3.06 1.36 0.00 0.02 0.00 0.00 34.50 32.65 3h46 s PRO 211 CO 0.04 -0.60 1.96 0.66 -0.33 0.00 0.00 177.00 178.72 3h46 h SER 212 N 5.35 0.00 0.47 2.53 4.64 -1.95 -2.50 113.55 122.08 3h46 h SER 212 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3h46 h SER 212 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3h46 h SER 212 CO 0.82 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.55 3h46 h SER 213 N 0.00 0.00 0.87 4.97 4.64 -1.90 -2.25 113.55 119.88 3h46 h SER 213 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3h46 h SER 213 Cb 0.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3h46 h SER 213 CO 0.00 0.00 -0.10 0.24 -0.87 0.00 0.00 176.83 176.10 3h46 h MET 214 N 0.00 0.00 -6.14 4.77 2.86 -1.62 -3.47 114.93 111.33 3h46 h MET 214 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 3h46 h MET 214 Cb 0.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 3h46 h MET 214 CO 0.00 0.10 -0.04 -0.51 1.06 0.00 0.00 176.91 177.52 3h46 s LEU 215 N -6.54 4.47 0.87 1.22 1.43 -0.85 -0.70 118.68 118.58 3h46 s LEU 215 Ca 0.00 1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 3h46 s LEU 215 Cb 0.10 -2.88 0.11 0.00 0.03 0.00 0.00 46.19 43.56 3h46 s LEU 215 CO 0.58 0.20 1.09 -2.16 0.23 0.00 0.00 176.35 176.29 3h46 s PRO 216 N -0.66 1.48 0.47 1.29 0.04 -1.26 -4.99 135.00 131.37 3h46 s PRO 216 Ca 0.29 0.82 -0.22 0.00 0.04 0.00 0.00 61.00 61.94 3h46 s PRO 216 Cb -0.19 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 3h46 s PRO 216 CO 0.18 -2.09 1.11 -1.83 0.04 0.00 0.00 177.00 174.41 3h46 s GLU 217 N -4.97 3.77 -0.17 4.56 -1.05 -0.87 -4.83 118.70 115.15 3h46 s GLU 217 Ca 0.63 1.62 -0.05 0.00 -0.15 0.00 0.00 54.97 57.02 3h46 s GLU 217 Cb -0.17 -2.31 -0.03 0.00 -0.44 0.00 0.00 34.13 31.18 3h46 s GLU 217 CO 0.56 -0.50 -0.00 0.08 0.95 0.00 0.00 175.26 176.35 3h46 s VAL 218 N -1.68 4.11 0.39 1.83 1.01 -1.26 -1.38 120.40 123.42 3h46 s VAL 218 Ca 0.65 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.39 3h46 s VAL 218 Cb -0.24 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 3h46 s VAL 218 CO 0.29 0.47 0.06 -0.54 0.00 0.00 0.00 175.10 175.38 3h46 s LYS 219 N 0.54 1.86 1.18 2.72 1.02 0.18 -4.94 119.74 122.31 3h46 s LYS 219 Ca -0.01 -2.09 -0.18 0.00 0.02 0.00 0.00 55.97 53.71 3h46 s LYS 219 Cb -0.14 -1.02 0.27 0.00 -0.52 0.00 0.00 37.83 36.42 3h46 s LYS 219 CO 0.02 -0.27 1.08 -1.54 -0.92 0.00 0.00 175.35 173.73 3h46 s SER 220 N -3.61 1.07 0.00 2.83 1.04 -1.26 -1.39 113.70 112.38 3h46 s SER 220 Ca 0.28 0.81 0.28 0.00 0.48 0.00 0.00 55.95 57.80 3h46 s SER 220 Cb 0.06 -1.19 1.11 0.00 0.10 0.00 0.00 66.02 66.10 3h46 s SER 220 CO 0.14 -4.05 1.78 0.59 0.98 0.00 0.00 173.24 172.68 3h46 n ASN 221 N -4.74 0.65 -3.38 7.02 3.02 0.01 -4.62 115.26 113.22 3h46 n ASN 221 Ca 0.11 -0.70 -0.18 0.00 -0.03 0.00 0.00 54.58 53.78 3h46 n ASN 221 Cb 0.59 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.65 3h46 n ASN 221 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3h46 s SER 222 N -2.46 1.50 -0.04 6.41 0.15 -1.25 -1.80 113.70 116.21 3h46 s SER 222 Ca 0.28 -1.29 -0.31 0.00 0.70 0.00 0.00 55.95 55.33 3h46 s SER 222 Cb 0.20 0.47 0.11 0.00 -1.71 0.00 0.00 66.02 65.09 3h46 s SER 222 CO 0.48 -0.32 1.08 -1.83 1.20 0.00 0.00 173.24 173.86 3h46 s GLU 223 N 1.78 0.63 -0.36 5.44 -1.05 -0.94 -4.71 118.70 119.49 3h46 s GLU 223 Ca 0.14 -0.29 -0.29 0.00 -0.15 0.00 0.00 54.97 54.38 3h46 s GLU 223 Cb -0.15 0.26 0.02 0.00 -0.44 0.00 0.00 34.13 33.81 3h46 s GLU 223 CO -0.15 -0.28 1.13 0.08 0.95 0.00 0.00 175.26 176.99 3h46 s VAL 224 N -2.78 4.36 -0.24 1.83 1.01 -1.26 -4.32 120.40 119.00 3h46 s VAL 224 Ca 0.09 1.52 0.17 0.00 0.00 0.00 0.00 61.98 63.77 3h46 s VAL 224 Cb 0.00 -4.43 0.15 0.00 0.00 0.00 0.00 36.38 32.10 3h46 s VAL 224 CO -0.05 -0.63 1.50 1.88 0.00 0.00 0.00 175.10 177.80 3h46 h TYR 225 N 8.61 0.00 0.00 5.22 -1.99 -1.14 -3.49 116.97 124.18 3h46 h TYR 225 Ca -0.22 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.51 3h46 h TYR 225 Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.80 3h46 h TYR 225 CO 0.88 0.35 0.00 0.41 -0.00 0.00 0.00 178.16 179.80 3h46 n GLY 226 N 1.18 -1.45 3.23 3.88 0.00 -1.24 -4.97 105.19 105.83 3h46 n GLY 226 Ca 0.03 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 3h46 n GLY 226 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h46 s HIS 227 N -2.93 1.58 0.37 1.61 3.76 -1.26 -0.87 115.29 117.55 3h46 s HIS 227 Ca 0.00 -0.41 -0.28 0.00 -0.15 0.00 0.00 55.06 54.22 3h46 s HIS 227 Cb 0.00 -0.89 -0.10 0.00 1.11 0.00 0.00 32.58 32.70 3h46 s HIS 227 CO 0.00 0.13 1.37 0.95 -0.85 0.00 0.00 174.74 176.34 3h46 s THR 228 N -1.10 2.44 0.00 1.30 -4.23 0.86 -4.62 115.64 110.29 3h46 s THR 228 Ca 0.04 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 3h46 s THR 228 Cb -0.10 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.47 3h46 s THR 228 CO 0.03 0.10 0.00 0.54 -0.54 0.00 0.00 174.62 174.75 3h46 n ARG 229 N 0.51 0.00 -2.54 3.99 1.74 -0.71 -4.17 116.66 115.49 3h46 n ARG 229 Ca 0.01 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.08 3h46 n ARG 229 Cb 0.41 -0.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 3h46 n ARG 229 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3h46 n SER 230 N -1.10 -4.90 -0.10 0.55 2.88 -1.11 -4.63 113.62 105.21 3h46 n SER 230 Ca 0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 3h46 n SER 230 Cb 0.00 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 3h46 n SER 230 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3h46 n TYR 231 N 1.04 0.00 -0.08 0.66 4.02 -1.26 0.68 117.16 122.22 3h46 n TYR 231 Ca -0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.80 3h46 n TYR 231 Cb 0.38 -0.02 -0.13 0.00 -0.02 0.00 0.00 39.34 39.55 3h46 n TYR 231 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3h46 n GLU 232 N -0.39 1.23 -0.01 -0.72 -0.00 -1.26 -4.45 120.64 115.03 3h46 n GLU 232 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 3h46 n GLU 232 Cb 0.05 -1.44 0.00 0.00 -0.00 0.00 0.00 31.44 30.05 3h46 n GLU 232 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3h46 n PHE 233 N -2.63 0.00 0.00 -1.84 -0.00 0.22 -4.84 117.46 108.36 3h46 n PHE 233 Ca -0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.15 3h46 n PHE 233 Cb 1.05 -0.19 0.00 0.00 -0.00 0.00 0.00 39.48 40.34 3h46 n PHE 233 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3h46 n TYR 234 N 1.54 0.00 0.00 -5.13 0.53 -1.26 -4.79 117.16 108.06 3h46 n TYR 234 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3h46 n TYR 234 Cb 0.02 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.33 3h46 n TYR 234 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3h46 n GLY 235 N 0.00 3.13 1.59 2.72 0.00 -1.26 -4.48 105.19 106.88 3h46 n GLY 235 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 3h46 n GLY 235 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h46 n SER 236 N 0.00 -2.22 -4.23 1.61 7.64 -1.26 -5.05 113.62 110.11 3h46 n SER 236 Ca 0.00 0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 3h46 n SER 236 Cb 0.00 -1.32 -0.08 0.00 -1.01 0.00 0.00 64.21 61.81 3h46 n SER 236 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3h46 s GLU 237 N -0.45 2.61 -0.11 1.43 2.02 -1.26 -4.84 118.70 118.09 3h46 s GLU 237 Ca -0.01 -1.83 -0.11 0.00 0.02 0.00 0.00 54.97 53.05 3h46 s GLU 237 Cb 0.00 -4.00 -0.05 0.00 0.10 0.00 0.00 34.13 30.19 3h46 s GLU 237 CO 0.06 -1.22 0.23 0.08 0.02 0.00 0.00 175.26 174.43 3h46 s VAL 238 N 1.27 5.34 0.18 2.63 1.01 -1.26 -4.71 120.40 124.86 3h46 s VAL 238 Ca 0.06 0.43 -0.32 0.00 0.00 0.00 0.00 61.98 62.15 3h46 s VAL 238 Cb -0.26 -3.53 -0.11 0.00 0.00 0.00 0.00 36.38 32.49 3h46 s VAL 238 CO -0.01 0.55 1.67 -2.84 0.00 0.00 0.00 175.10 174.47 3h46 s PRO 239 N -0.60 4.16 -0.44 2.72 0.02 -1.26 -0.10 135.00 139.50 3h46 s PRO 239 Ca 0.17 2.50 -0.21 0.00 0.02 0.00 0.00 61.00 63.48 3h46 s PRO 239 Cb -0.13 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 31.24 3h46 s PRO 239 CO 0.06 -0.71 0.66 0.42 -0.33 0.00 0.00 177.00 177.10 3h46 s ILE 240 N 1.36 4.81 0.00 2.83 1.01 -0.05 -1.17 121.20 129.99 3h46 s ILE 240 Ca 0.73 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.49 3h46 s ILE 240 Cb -0.47 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 37.78 3h46 s ILE 240 CO 0.32 -0.63 0.00 0.00 0.00 0.00 0.00 174.94 174.63 3h46 n ALA 241 N 6.32 0.94 -2.89 9.38 0.00 -0.03 -0.55 120.51 133.68 3h46 n ALA 241 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 3h46 n ALA 241 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 3h46 n ALA 241 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h46 s GLY 242 N -0.58 0.25 -0.24 0.00 0.00 -1.12 -2.21 107.32 103.41 3h46 s GLY 242 Ca 0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 44.72 44.11 3h46 s GLY 242 CO 0.00 -0.48 0.62 -0.29 0.00 0.00 0.00 173.10 172.95 3h46 s MET 243 N -0.96 0.66 0.05 2.90 0.00 -0.75 -0.73 119.30 120.48 3h46 s MET 243 Ca -0.08 1.02 -0.27 0.00 0.00 0.00 0.00 55.69 56.36 3h46 s MET 243 Cb -0.07 0.19 0.07 0.00 0.00 0.00 0.00 34.83 35.03 3h46 s MET 243 CO -0.00 -0.13 0.66 0.00 0.00 0.00 0.00 175.02 175.55 3h46 s ALA 244 N 1.12 -1.70 0.67 4.11 0.00 -0.91 -4.53 121.76 120.53 3h46 s ALA 244 Ca -0.06 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 3h46 s ALA 244 Cb -0.05 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.50 3h46 s ALA 244 CO -0.11 -0.58 1.22 0.20 0.00 0.00 0.00 175.76 176.49 3h46 s GLY 245 N -2.02 2.55 0.21 0.00 0.00 -1.26 -3.28 107.32 103.53 3h46 s GLY 245 Ca -0.04 0.97 -0.08 0.00 0.00 0.00 0.00 44.72 45.56 3h46 s GLY 245 CO -0.03 1.37 1.75 1.29 0.00 0.00 0.00 173.10 177.49 3h46 h ASP 246 N 0.23 0.30 -0.25 1.64 3.04 -1.04 0.17 116.42 120.50 3h46 h ASP 246 Ca -0.49 0.07 -0.12 0.00 -3.24 0.00 0.00 57.03 53.25 3h46 h ASP 246 Cb 1.30 0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 39.61 3h46 h ASP 246 CO 0.52 0.17 -0.27 1.56 -2.04 0.00 0.00 179.24 179.19 3h46 h GLN 247 N 0.47 0.75 -0.42 4.15 1.08 -1.91 -1.29 115.11 117.94 3h46 h GLN 247 Ca 0.32 -0.32 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 3h46 h GLN 247 Cb 0.38 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3h46 h GLN 247 CO -0.30 0.93 -0.23 1.96 -0.95 0.00 0.00 178.83 180.24 3h46 h GLN 248 N 0.64 0.90 -0.88 1.46 7.50 -1.73 -1.87 115.11 121.13 3h46 h GLN 248 Ca 0.08 -0.40 0.11 0.00 0.50 0.00 0.00 58.65 58.93 3h46 h GLN 248 Cb 0.78 -0.02 -0.08 0.00 0.05 0.00 0.00 27.48 28.22 3h46 h GLN 248 CO 0.06 1.06 0.51 0.00 -1.50 0.00 0.00 178.83 178.96 3h46 h ALA 249 N 0.82 1.28 -0.67 3.87 0.00 -0.38 -0.85 119.26 123.33 3h46 h ALA 249 Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3h46 h ALA 249 Cb 0.80 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3h46 h ALA 249 CO 0.07 0.12 0.26 0.00 0.00 0.00 0.00 179.25 179.70 3h46 h ALA 250 N 1.49 0.87 -0.31 0.00 0.00 -1.01 0.76 119.26 121.05 3h46 h ALA 250 Ca 0.43 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3h46 h ALA 250 Cb 0.42 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3h46 h ALA 250 CO -0.26 0.49 0.03 1.25 0.00 0.00 0.00 179.25 180.76 3h46 h LEU 251 N 0.94 -0.05 -0.12 0.00 5.85 -0.78 -0.08 115.31 121.08 3h46 h LEU 251 Ca 0.22 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 3h46 h LEU 251 Cb 0.21 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3h46 h LEU 251 CO -0.02 0.01 -0.00 0.15 -0.34 0.00 0.00 178.44 178.24 3h46 h PHE 252 N 0.14 0.23 -1.06 1.25 3.57 -0.56 -1.96 116.94 118.54 3h46 h PHE 252 Ca 0.15 -0.04 0.29 0.00 3.53 0.00 0.00 57.97 61.90 3h46 h PHE 252 Cb 0.18 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 3h46 h PHE 252 CO -0.20 0.46 0.72 0.78 -2.23 0.00 0.00 178.31 177.84 3h46 h GLY 253 N -0.07 0.60 0.91 2.40 0.00 0.68 0.11 103.07 107.69 3h46 h GLY 253 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3h46 h GLY 253 CO 0.01 -0.06 -0.03 -1.06 0.00 0.00 0.00 176.54 175.39 3h46 n GLN 254 N -4.41 0.87 -3.75 4.80 1.13 -0.06 -4.75 117.38 111.21 3h46 n GLN 254 Ca 0.24 -0.19 -0.26 0.00 -1.94 0.00 0.00 57.00 54.85 3h46 n GLN 254 Cb 1.00 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.91 3h46 n GLN 254 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3h46 n MET 255 N -0.90 -6.34 -2.59 -1.09 2.81 0.39 -4.90 117.12 104.49 3h46 n MET 255 Ca 0.18 0.69 -0.43 0.00 -1.81 0.00 0.00 57.70 56.34 3h46 n MET 255 Cb 0.22 -5.61 0.00 0.00 -0.71 0.00 0.00 33.22 27.12 3h46 n MET 255 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h46 n ALA 256 N -4.70 4.45 0.29 3.04 0.00 -0.76 -4.68 120.51 118.15 3h46 n ALA 256 Ca -0.04 -4.18 0.11 0.00 0.00 0.00 0.00 53.44 49.33 3h46 n ALA 256 Cb 0.57 -3.15 -0.09 0.00 0.00 0.00 0.00 19.45 16.78 3h46 n ALA 256 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h46 n PHE 257 N 5.51 0.22 -3.95 0.00 3.72 -1.26 -4.75 117.46 116.93 3h46 n PHE 257 Ca 0.41 0.06 -0.24 0.00 -0.05 0.00 0.00 57.45 57.63 3h46 n PHE 257 Cb 0.41 -0.49 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 3h46 n PHE 257 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3h46 s GLU 258 N -3.34 3.44 0.29 -1.08 0.41 -1.26 -4.95 118.70 112.20 3h46 s GLU 258 Ca -0.02 -0.65 -0.30 0.00 -0.41 0.00 0.00 54.97 53.59 3h46 s GLU 258 Cb 0.14 -2.94 -0.11 0.00 -1.78 0.00 0.00 34.13 29.44 3h46 s GLU 258 CO 0.86 0.49 1.56 0.21 -0.49 0.00 0.00 175.26 177.89 3h46 s LYS 259 N -3.49 4.14 0.00 1.61 2.20 -1.26 -2.69 119.74 120.25 3h46 s LYS 259 Ca 0.34 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 3h46 s LYS 259 Cb -0.10 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 3h46 s LYS 259 CO 0.29 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 3h46 n GLY 260 N 2.04 3.22 3.76 5.54 0.00 0.14 -4.99 105.19 114.89 3h46 n GLY 260 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3h46 n GLY 260 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h46 s MET 261 N -0.52 4.46 0.00 1.61 -1.94 -1.10 -4.77 119.30 117.05 3h46 s MET 261 Ca 0.00 2.06 -0.00 0.00 -1.71 0.00 0.00 55.69 56.03 3h46 s MET 261 Cb 0.00 -3.12 -0.01 0.00 2.01 0.00 0.00 34.83 33.71 3h46 s MET 261 CO 0.00 -0.05 0.00 -1.50 -0.01 0.00 0.00 175.02 173.46 3h46 s ILE 262 N -1.03 0.03 0.17 2.53 2.07 -1.26 -0.88 121.20 122.83 3h46 s ILE 262 Ca 0.48 -0.28 0.02 0.00 -1.41 0.00 0.00 60.65 59.45 3h46 s ILE 262 Cb -0.37 -0.10 -0.05 0.00 0.13 0.00 0.00 42.46 42.08 3h46 s ILE 262 CO 0.47 -0.16 0.00 -1.59 -1.91 0.00 0.00 174.94 171.76 3h46 s LYS 263 N -0.46 1.08 -0.03 3.50 0.00 -0.45 -2.40 119.74 120.98 3h46 s LYS 263 Ca -0.05 -1.52 0.02 0.00 0.00 0.00 0.00 55.97 54.42 3h46 s LYS 263 Cb -0.03 -0.22 0.01 0.00 0.00 0.00 0.00 37.83 37.59 3h46 s LYS 263 CO -0.00 -0.14 -0.08 1.21 0.00 0.00 0.00 175.35 176.34 3h46 s ASN 264 N -3.16 1.14 -0.20 0.03 2.47 -0.38 -1.41 114.94 113.44 3h46 s ASN 264 Ca 0.23 -0.18 -0.03 0.00 0.42 0.00 0.00 52.86 53.31 3h46 s ASN 264 Cb 0.06 -0.41 -0.01 0.00 -1.45 0.00 0.00 41.25 39.44 3h46 s ASN 264 CO 0.03 0.02 -0.05 -0.89 -3.72 0.00 0.00 177.10 172.49 3h46 s THR 265 N 0.46 3.40 -0.43 -5.21 2.01 -1.04 -2.14 115.64 112.70 3h46 s THR 265 Ca -0.07 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.29 3h46 s THR 265 Cb -0.11 -2.52 0.05 0.00 0.01 0.00 0.00 72.50 69.92 3h46 s THR 265 CO 0.01 0.45 0.32 -0.31 -0.69 0.00 0.00 174.62 174.40 3h46 s TYR 266 N 1.15 3.25 0.00 4.92 2.02 -0.14 -2.44 117.35 126.11 3h46 s TYR 266 Ca 0.02 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 3h46 s TYR 266 Cb -0.14 -2.83 0.00 0.00 -0.40 0.00 0.00 41.96 38.59 3h46 s TYR 266 CO -0.01 -0.70 0.00 0.41 -1.57 0.00 0.00 175.55 173.68 3h46 n GLY 267 N 5.14 5.19 0.14 0.71 0.00 -1.26 -1.94 105.19 113.16 3h46 n GLY 267 Ca -0.12 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 3h46 n GLY 267 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h46 h THR 268 N 0.00 0.83 -0.50 2.61 2.02 -1.93 0.62 112.91 116.55 3h46 h THR 268 Ca 0.00 -0.05 -0.58 0.00 0.77 0.00 0.00 66.41 66.55 3h46 h THR 268 Cb 0.00 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 3h46 h THR 268 CO 0.00 0.03 -0.28 -0.83 0.37 0.00 0.00 175.52 174.81 3h46 s GLY 269 N -2.70 2.34 0.03 2.16 0.00 -1.25 -1.08 107.32 106.82 3h46 s GLY 269 Ca -0.13 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.39 3h46 s GLY 269 CO 0.70 -1.94 -0.21 0.00 0.00 0.00 0.00 173.10 171.66 3h46 s ALA 270 N -2.79 1.75 -0.18 3.20 0.00 -0.31 -4.59 121.76 118.84 3h46 s ALA 270 Ca 0.35 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 3h46 s ALA 270 Cb -0.03 -0.37 0.07 0.00 0.00 0.00 0.00 23.12 22.79 3h46 s ALA 270 CO 0.22 0.40 0.11 -0.06 0.00 0.00 0.00 175.76 176.43 3h46 s PHE 271 N -0.70 0.14 -0.20 0.00 0.08 -1.02 -0.38 117.98 115.89 3h46 s PHE 271 Ca 0.08 -0.27 -0.21 0.00 0.12 0.00 0.00 56.93 56.65 3h46 s PHE 271 Cb -0.09 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.68 3h46 s PHE 271 CO 0.01 -0.54 0.64 0.42 -0.10 0.00 0.00 175.22 175.65 3h46 s ILE 272 N 2.16 5.01 -0.08 0.64 1.09 -0.81 -2.49 121.20 126.72 3h46 s ILE 272 Ca 0.03 1.21 0.02 0.00 -1.10 0.00 0.00 60.65 60.81 3h46 s ILE 272 Cb -0.16 -3.96 0.02 0.00 -1.06 0.00 0.00 42.46 37.30 3h46 s ILE 272 CO -0.11 0.10 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.03 3h46 s VAL 273 N 1.96 1.11 -0.11 2.92 1.01 -0.50 -1.66 120.40 125.13 3h46 s VAL 273 Ca 0.29 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3h46 s VAL 273 Cb -0.16 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3h46 s VAL 273 CO 0.10 0.36 -0.13 -0.32 0.00 0.00 0.00 175.10 175.11 3h46 s MET 274 N 0.92 3.18 -0.07 2.72 0.00 -0.35 -1.34 119.30 124.36 3h46 s MET 274 Ca -0.10 -0.67 -0.30 0.00 0.00 0.00 0.00 55.69 54.62 3h46 s MET 274 Cb -0.15 -2.59 -0.03 0.00 0.00 0.00 0.00 34.83 32.06 3h46 s MET 274 CO 0.01 0.33 1.27 1.21 0.00 0.00 0.00 175.02 177.83 3h46 s ASN 275 N 0.06 6.97 0.00 1.11 3.84 -0.06 -1.28 114.94 125.59 3h46 s ASN 275 Ca -0.05 1.86 0.10 0.00 0.21 0.00 0.00 52.86 54.99 3h46 s ASN 275 Cb -0.14 -2.55 0.29 0.00 -0.55 0.00 0.00 41.25 38.30 3h46 s ASN 275 CO 0.04 -0.66 1.24 0.35 -2.79 0.00 0.00 177.10 175.28 3h46 n THR 276 N 4.82 1.00 -4.29 -5.21 -2.24 -0.65 0.23 114.28 107.93 3h46 n THR 276 Ca 0.12 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3h46 n THR 276 Cb 0.45 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 3h46 n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h46 n GLY 277 N 0.48 -1.25 0.25 3.38 0.00 -1.24 -4.38 105.19 102.43 3h46 n GLY 277 Ca 0.11 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 45.04 3h46 n GLY 277 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h46 h GLU 278 N 0.00 0.00 -5.49 1.61 5.08 -1.92 0.37 114.58 114.23 3h46 h GLU 278 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 3h46 h GLU 278 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 3h46 h GLU 278 CO 0.00 0.05 -0.46 -1.83 -1.00 0.00 0.00 179.01 175.77 3h46 s GLU 279 N -3.48 3.85 1.02 2.33 -1.05 -1.26 -4.80 118.70 115.31 3h46 s GLU 279 Ca 0.03 -0.12 -0.20 0.00 -0.15 0.00 0.00 54.97 54.53 3h46 s GLU 279 Cb 0.08 -3.31 0.00 0.00 -0.44 0.00 0.00 34.13 30.46 3h46 s GLU 279 CO 0.61 0.53 -0.51 -2.30 0.95 0.00 0.00 175.26 174.54 3h46 n PRO 280 N 2.75 -1.06 -2.77 -4.83 -0.02 -1.26 -4.76 135.00 123.06 3h46 n PRO 280 Ca -0.17 -0.30 -0.36 0.00 -2.02 0.00 0.00 63.50 60.65 3h46 n PRO 280 Cb 0.53 -1.36 -0.06 0.00 -0.02 0.00 0.00 33.50 32.59 3h46 n PRO 280 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3h46 s GLN 281 N -2.83 4.45 0.00 -0.52 2.00 -1.26 -4.99 119.66 116.50 3h46 s GLN 281 Ca 0.42 1.29 0.00 0.00 -2.00 0.00 0.00 55.36 55.06 3h46 s GLN 281 Cb -0.02 -2.61 0.00 0.00 0.80 0.00 0.00 33.01 31.19 3h46 s GLN 281 CO 0.56 0.16 0.81 1.28 -0.50 0.00 0.00 175.29 177.59 3h46 n LEU 282 N 0.17 0.00 -4.72 3.68 4.32 -1.26 -4.52 117.00 114.67 3h46 n LEU 282 Ca 0.04 0.81 -0.38 0.00 -0.02 0.00 0.00 56.01 56.45 3h46 n LEU 282 Cb 0.51 -0.31 -0.06 0.00 -1.62 0.00 0.00 43.42 41.94 3h46 n LEU 282 CO 0.42 -0.31 0.15 -0.55 -1.22 0.00 0.00 177.39 175.89 3h46 s SER 283 N -2.16 6.65 0.00 -1.43 0.15 -1.26 -4.94 113.70 110.71 3h46 s SER 283 Ca 0.00 0.77 0.22 0.00 0.70 0.00 0.00 55.95 57.64 3h46 s SER 283 Cb 0.00 -2.28 0.57 0.00 -1.71 0.00 0.00 66.02 62.61 3h46 s SER 283 CO 0.00 -0.00 1.49 -0.90 1.20 0.00 0.00 173.24 175.03 3h46 n ASP 284 N 3.73 3.59 -4.67 5.45 3.85 -1.26 -4.72 116.55 122.52 3h46 n ASP 284 Ca -0.07 -1.99 -0.47 0.00 -0.71 0.00 0.00 54.79 51.55 3h46 n ASP 284 Cb 0.52 -0.40 -0.04 0.00 -1.35 0.00 0.00 41.12 39.84 3h46 n ASP 284 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3h46 n ASN 285 N 1.49 3.28 -0.02 -1.12 4.05 -1.26 -1.08 115.26 120.59 3h46 n ASN 285 Ca 0.22 1.04 -0.00 0.00 0.45 0.00 0.00 54.58 56.28 3h46 n ASN 285 Cb 0.58 -1.41 -0.00 0.00 1.23 0.00 0.00 39.78 40.18 3h46 n ASN 285 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3h46 n ASP 286 N 4.75 -4.71 -4.08 1.20 8.00 -1.26 -4.95 116.55 115.49 3h46 n ASP 286 Ca 0.19 0.01 -0.19 0.00 0.71 0.00 0.00 54.79 55.51 3h46 n ASP 286 Cb 0.30 -2.24 -0.09 0.00 -0.02 0.00 0.00 41.12 39.06 3h46 n ASP 286 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3h46 s LEU 287 N -0.06 1.69 -0.05 0.64 1.43 -0.25 -4.37 118.68 117.71 3h46 s LEU 287 Ca 0.00 -1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 51.54 3h46 s LEU 287 Cb 0.00 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.30 3h46 s LEU 287 CO 0.00 -0.85 0.15 -0.76 0.23 0.00 0.00 176.35 175.13 3h46 s LEU 288 N -3.38 4.32 -0.23 1.79 1.43 0.48 -4.93 118.68 118.18 3h46 s LEU 288 Ca 0.35 0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 53.74 3h46 s LEU 288 Cb 0.06 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3h46 s LEU 288 CO 0.16 0.32 0.12 -0.89 0.23 0.00 0.00 176.35 176.30 3h46 s THR 289 N -1.19 5.07 0.21 5.49 2.01 0.10 -1.11 115.64 126.22 3h46 s THR 289 Ca 0.22 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.29 3h46 s THR 289 Cb -0.12 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3h46 s THR 289 CO 0.12 0.37 0.09 0.28 -0.69 0.00 0.00 174.62 174.80 3h46 s THR 290 N 0.96 0.27 -0.18 -0.82 -1.32 -0.02 -4.20 115.64 110.34 3h46 s THR 290 Ca 0.06 -1.99 -0.23 0.00 -1.21 0.00 0.00 61.69 58.33 3h46 s THR 290 Cb -0.13 -2.44 -0.02 0.00 -1.51 0.00 0.00 72.50 68.39 3h46 s THR 290 CO 0.03 -0.12 0.71 -0.63 -2.21 0.00 0.00 174.62 172.41 3h46 s ILE 291 N -3.96 4.97 -0.04 5.08 1.01 -1.26 -0.12 121.20 126.89 3h46 s ILE 291 Ca 0.35 1.37 -0.20 0.00 0.00 0.00 0.00 60.65 62.17 3h46 s ILE 291 Cb 0.07 -4.02 -0.14 0.00 0.01 0.00 0.00 42.46 38.38 3h46 s ILE 291 CO 0.10 0.09 0.87 1.23 0.00 0.00 0.00 174.94 177.24 3h46 h GLY 292 N 8.11 -0.34 -4.77 6.18 0.00 -0.55 -3.40 103.07 108.29 3h46 h GLY 292 Ca -0.31 0.13 0.16 0.00 0.00 0.00 0.00 47.33 47.30 3h46 h GLY 292 CO 0.80 -0.12 0.74 -2.52 0.00 0.00 0.00 176.54 175.43 3h46 s TYR 293 N -3.59 -0.21 -0.19 5.60 -0.85 -0.95 -4.78 117.35 112.37 3h46 s TYR 293 Ca -0.12 0.38 -0.03 0.00 -0.52 0.00 0.00 57.07 56.78 3h46 s TYR 293 Cb 0.01 0.47 -0.01 0.00 0.38 0.00 0.00 41.96 42.81 3h46 s TYR 293 CO 0.43 -0.19 -0.07 0.20 -1.52 0.00 0.00 175.55 174.41 3h46 s GLY 294 N -0.96 1.60 -0.01 5.49 0.00 -1.26 -0.95 107.32 111.23 3h46 s GLY 294 Ca 0.04 -1.07 -0.20 0.00 0.00 0.00 0.00 44.72 43.48 3h46 s GLY 294 CO -0.04 0.24 0.44 -0.26 0.00 0.00 0.00 173.10 173.48 3h46 s ILE 295 N 1.11 0.04 -1.55 0.90 -4.36 -0.44 -0.81 121.20 116.09 3h46 s ILE 295 Ca 0.01 -0.33 -0.05 0.00 -0.26 0.00 0.00 60.65 60.02 3h46 s ILE 295 Cb -0.15 -0.79 0.01 0.00 1.25 0.00 0.00 42.46 42.78 3h46 s ILE 295 CO -0.01 -0.18 0.68 0.59 0.24 0.00 0.00 174.94 176.26 3h46 n ASN 296 N 1.01 -6.20 0.00 4.36 5.03 -1.26 -1.28 115.26 116.92 3h46 n ASN 296 Ca -0.20 -0.32 0.00 0.00 0.87 0.00 0.00 54.58 54.93 3h46 n ASN 296 Cb 0.57 -4.99 0.00 0.00 -1.02 0.00 0.00 39.78 34.34 3h46 n ASN 296 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h46 n GLY 297 N -1.59 0.54 3.70 7.41 0.00 -1.26 -4.99 105.19 109.00 3h46 n GLY 297 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 3h46 n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h46 s LYS 298 N -0.48 2.29 -0.12 1.61 1.02 -0.41 -5.13 119.74 118.52 3h46 s LYS 298 Ca 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.40 3h46 s LYS 298 Cb 0.00 -2.11 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 3h46 s LYS 298 CO 0.00 0.13 -0.12 0.08 -0.92 0.00 0.00 175.35 174.53 3h46 s VAL 299 N -2.44 1.33 -0.26 3.17 1.01 -1.26 -1.33 120.40 120.61 3h46 s VAL 299 Ca 0.36 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 3h46 s VAL 299 Cb -0.02 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 3h46 s VAL 299 CO 0.22 0.42 0.18 -0.31 0.00 0.00 0.00 175.10 175.60 3h46 s TYR 300 N 1.45 3.26 0.68 5.22 2.02 -0.12 -4.21 117.35 125.64 3h46 s TYR 300 Ca 0.02 0.16 -0.03 0.00 -0.37 0.00 0.00 57.07 56.85 3h46 s TYR 300 Cb -0.13 -2.34 0.08 0.00 -0.40 0.00 0.00 41.96 39.17 3h46 s TYR 300 CO -0.08 -0.07 0.95 0.71 -1.57 0.00 0.00 175.55 175.50 3h46 s TYR 301 N 1.48 2.43 0.04 2.71 2.02 0.12 0.07 117.35 126.21 3h46 s TYR 301 Ca 0.07 0.09 -0.20 0.00 -0.37 0.00 0.00 57.07 56.66 3h46 s TYR 301 Cb -0.15 -3.07 0.04 0.00 -0.40 0.00 0.00 41.96 38.39 3h46 s TYR 301 CO 0.08 -1.42 0.45 0.00 -1.57 0.00 0.00 175.55 173.10 3h46 s ALA 302 N -3.11 -1.13 -0.12 3.71 0.00 0.84 -1.64 121.76 120.30 3h46 s ALA 302 Ca 0.62 0.43 -0.07 0.00 0.00 0.00 0.00 51.96 52.94 3h46 s ALA 302 Cb -0.09 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 3h46 s ALA 302 CO 0.43 -0.47 0.14 -0.51 0.00 0.00 0.00 175.76 175.35 3h46 s LEU 303 N -1.95 4.38 -0.00 0.00 1.43 -0.40 -0.84 118.68 121.29 3h46 s LEU 303 Ca -0.06 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 3h46 s LEU 303 Cb -0.01 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 3h46 s LEU 303 CO -0.02 0.41 -0.05 -0.70 0.23 0.00 0.00 176.35 176.22 3h46 s GLU 304 N -1.02 0.42 -0.16 1.70 2.12 -0.27 -1.21 118.70 120.28 3h46 s GLU 304 Ca 0.15 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.29 3h46 s GLU 304 Cb -0.12 -0.40 0.02 0.00 0.26 0.00 0.00 34.13 33.89 3h46 s GLU 304 CO 0.04 0.11 -0.20 0.20 -0.54 0.00 0.00 175.26 174.87 3h46 s GLY 305 N -0.18 1.35 -0.19 -1.50 0.00 -0.66 -0.38 107.32 105.76 3h46 s GLY 305 Ca 0.01 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.52 3h46 s GLY 305 CO -0.00 0.20 0.05 -0.56 0.00 0.00 0.00 173.10 172.79 3h46 s SER 306 N 1.14 5.49 -0.38 1.64 0.01 -1.26 -1.93 113.70 118.41 3h46 s SER 306 Ca 0.01 0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 3h46 s SER 306 Cb -0.14 -1.94 0.08 0.00 0.21 0.00 0.00 66.02 64.23 3h46 s SER 306 CO -0.09 0.15 0.16 -0.63 0.41 0.00 0.00 173.24 173.24 3h46 s ILE 307 N 0.50 3.47 0.21 1.44 1.01 0.49 -1.35 121.20 126.97 3h46 s ILE 307 Ca 0.02 -1.65 -0.10 0.00 0.00 0.00 0.00 60.65 58.92 3h46 s ILE 307 Cb -0.13 -3.19 0.14 0.00 0.01 0.00 0.00 42.46 39.30 3h46 s ILE 307 CO 0.01 -0.46 1.86 -0.26 0.00 0.00 0.00 174.94 176.10 3h46 h PHE 308 N 8.13 0.86 -3.75 3.97 0.04 -1.90 -0.82 116.94 123.47 3h46 h PHE 308 Ca -0.18 0.02 -0.68 0.00 2.80 0.00 0.00 57.97 59.93 3h46 h PHE 308 Cb 1.06 -0.29 -0.33 0.00 2.20 0.00 0.00 35.95 38.59 3h46 h PHE 308 CO 0.59 0.52 -0.69 0.08 -0.60 0.00 0.00 178.31 178.20 3h46 s VAL 309 N -6.13 2.96 0.00 -0.55 1.01 -1.26 -3.75 120.40 112.68 3h46 s VAL 309 Ca -0.13 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.38 3h46 s VAL 309 Cb 0.15 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3h46 s VAL 309 CO 0.77 -0.16 0.00 0.00 0.00 0.00 0.00 175.10 175.71 3h46 n ALA 310 N 4.60 0.76 -0.33 5.51 0.00 -0.24 -4.75 120.51 126.06 3h46 n ALA 310 Ca -0.12 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.49 3h46 n ALA 310 Cb 0.43 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.26 3h46 n ALA 310 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h46 h GLY 311 N 0.00 1.83 2.00 0.00 0.00 0.22 0.58 103.07 107.70 3h46 h GLY 311 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3h46 h GLY 311 CO 0.00 -0.28 0.00 1.48 0.00 0.00 0.00 176.54 177.74 3h46 h SER 312 N 0.50 0.00 -0.50 0.19 4.64 -1.67 -0.80 113.55 115.91 3h46 h SER 312 Ca 0.63 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.84 3h46 h SER 312 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3h46 h SER 312 CO -0.51 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.34 3h46 h ALA 313 N 2.09 0.81 -0.27 5.18 0.00 -1.15 -1.51 119.26 124.40 3h46 h ALA 313 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 3h46 h ALA 313 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h46 h ALA 313 CO 0.00 0.66 -0.39 0.82 0.00 0.00 0.00 179.25 180.34 3h46 h ILE 314 N 0.88 1.29 -0.80 0.00 2.04 -1.25 -1.79 117.51 117.87 3h46 h ILE 314 Ca 0.14 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.42 3h46 h ILE 314 Cb 0.67 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3h46 h ILE 314 CO 0.05 0.50 0.43 1.56 0.00 0.00 0.00 178.15 180.69 3h46 h GLN 315 N 0.53 1.13 -0.84 2.37 4.20 -1.28 -1.98 115.11 119.24 3h46 h GLN 315 Ca 0.05 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.62 3h46 h GLN 315 Cb 0.91 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 3h46 h GLN 315 CO 0.08 0.84 0.54 2.35 -0.67 0.00 0.00 178.83 181.97 3h46 h TRP 316 N 1.12 1.07 -0.99 2.96 7.01 -0.96 0.17 115.95 126.32 3h46 h TRP 316 Ca 0.28 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.37 3h46 h TRP 316 Cb 0.05 -0.36 -0.07 0.00 -2.10 0.00 0.00 29.16 26.68 3h46 h TRP 316 CO 0.00 0.68 0.64 -0.07 -2.79 0.00 0.00 178.44 176.91 3h46 h LEU 317 N 1.14 1.02 0.23 0.65 3.38 -1.00 0.13 115.31 120.86 3h46 h LEU 317 Ca 0.31 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3h46 h LEU 317 Cb -0.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.43 3h46 h LEU 317 CO -0.06 0.65 -0.11 -0.09 0.09 0.00 0.00 178.44 178.92 3h46 h ARG 318 N 1.16 -0.30 0.01 1.13 2.43 -0.59 0.11 114.38 118.33 3h46 h ARG 318 Ca 0.43 0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 59.32 3h46 h ARG 318 Cb 0.17 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 3h46 h ARG 318 CO -0.17 0.06 -1.74 -0.25 -1.51 0.00 0.00 179.97 176.36 3h46 n ASP 319 N -4.99 0.99 -0.01 -3.80 8.00 0.53 -3.03 116.55 114.24 3h46 n ASP 319 Ca -0.08 0.39 -0.00 0.00 0.71 0.00 0.00 54.79 55.81 3h46 n ASP 319 Cb 0.25 -0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3h46 n ASP 319 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3h46 h GLY 320 N 3.27 0.00 2.00 0.44 0.00 -0.93 -3.40 103.07 104.45 3h46 h GLY 320 Ca -0.30 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3h46 h GLY 320 CO 0.08 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.89 3h46 h LEU 321 N -0.12 0.00 -1.09 3.11 3.38 -1.56 -3.48 115.31 115.56 3h46 h LEU 321 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 3h46 h LEU 321 Cb 0.04 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.82 3h46 h LEU 321 CO 0.00 0.14 -0.75 0.54 0.09 0.00 0.00 178.44 178.46 3h46 n ARG 322 N -3.20 -6.15 0.07 1.13 1.74 -0.67 -4.89 116.66 104.69 3h46 n ARG 322 Ca 0.02 0.67 0.11 0.00 -0.77 0.00 0.00 57.85 57.88 3h46 n ARG 322 Cb 0.47 -5.57 -0.05 0.00 -1.02 0.00 0.00 32.46 26.28 3h46 n ARG 322 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3h46 n MET 323 N -4.69 0.62 -4.18 5.56 1.56 0.28 -4.87 117.12 111.40 3h46 n MET 323 Ca -0.03 0.02 -0.14 0.00 -0.27 0.00 0.00 57.70 57.28 3h46 n MET 323 Cb 0.56 -1.73 -0.11 0.00 2.15 0.00 0.00 33.22 34.09 3h46 n MET 323 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 3h46 s ILE 324 N -3.41 0.96 -0.10 1.12 -4.36 -1.22 -5.02 121.20 109.15 3h46 s ILE 324 Ca -0.03 -1.70 -0.21 0.00 -0.26 0.00 0.00 60.65 58.45 3h46 s ILE 324 Cb 0.11 -1.43 -0.28 0.00 1.25 0.00 0.00 42.46 42.11 3h46 s ILE 324 CO 0.83 -0.59 0.67 -0.08 0.24 0.00 0.00 174.94 176.00 3h46 h GLU 325 N 3.45 0.19 -4.58 0.37 4.57 -1.91 -3.40 114.58 113.27 3h46 h GLU 325 Ca -0.37 -0.33 -0.24 0.00 -1.18 0.00 0.00 59.36 57.24 3h46 h GLU 325 Cb 1.19 0.12 -0.15 0.00 -0.16 0.00 0.00 28.75 29.75 3h46 h GLU 325 CO 0.55 1.16 -0.63 0.95 -1.18 0.00 0.00 179.01 179.85 3h46 s THR 326 N -2.40 0.14 0.04 0.32 -4.23 -1.26 -5.02 115.64 103.22 3h46 s THR 326 Ca -0.19 -1.97 -0.24 0.00 -1.18 0.00 0.00 61.69 58.11 3h46 s THR 326 Cb 0.02 -2.34 -0.17 0.00 1.34 0.00 0.00 72.50 71.34 3h46 s THR 326 CO 0.76 -0.18 1.51 0.28 -0.54 0.00 0.00 174.62 176.44 3h46 h SER 327 N 2.68 0.02 -1.16 3.99 0.02 -1.92 -2.97 113.55 114.21 3h46 h SER 327 Ca -0.36 -0.25 0.33 0.00 -0.84 0.00 0.00 61.79 60.67 3h46 h SER 327 Cb 1.23 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.67 3h46 h SER 327 CO 0.56 0.26 0.77 -0.65 -1.14 0.00 0.00 176.83 176.64 3h46 h PRO 328 N -0.22 0.22 0.00 3.45 0.11 -1.99 -1.02 132.00 132.55 3h46 h PRO 328 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3h46 h PRO 328 Cb 0.25 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 3h46 h PRO 328 CO 0.00 0.14 -0.01 0.37 -0.21 0.00 0.00 178.00 178.30 3h46 h GLN 329 N 0.22 0.00 -0.73 1.05 4.15 -1.95 -2.92 115.11 114.95 3h46 h GLN 329 Ca 0.64 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 60.05 3h46 h GLN 329 Cb 1.97 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.63 3h46 h GLN 329 CO -0.25 0.01 0.38 0.66 -1.93 0.00 0.00 178.83 177.70 3h46 h SER 330 N 0.00 0.92 -0.75 -0.69 4.64 -1.31 -1.39 113.55 114.98 3h46 h SER 330 Ca -0.00 -0.11 0.13 0.00 -0.47 0.00 0.00 61.79 61.34 3h46 h SER 330 Cb 0.06 -0.24 -0.09 0.00 -0.31 0.00 0.00 62.40 61.83 3h46 h SER 330 CO 0.00 0.77 0.33 -0.08 -0.87 0.00 0.00 176.83 176.98 3h46 h GLU 331 N 1.01 0.50 -0.11 4.77 4.22 -1.70 -0.11 114.58 123.16 3h46 h GLU 331 Ca 0.25 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.51 3h46 h GLU 331 Cb 0.06 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.21 3h46 h GLU 331 CO -0.04 0.33 -0.54 1.49 -2.18 0.00 0.00 179.01 178.08 3h46 h GLU 332 N 0.52 0.56 -0.19 1.92 4.81 -1.51 -1.92 114.58 118.76 3h46 h GLU 332 Ca 0.40 -0.45 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3h46 h GLU 332 Cb 0.54 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3h46 h GLU 332 CO -0.35 1.08 0.08 -0.07 -0.73 0.00 0.00 179.01 179.01 3h46 h LEU 333 N 0.17 0.26 -1.05 1.64 3.38 -1.13 -3.14 115.31 115.46 3h46 h LEU 333 Ca -0.04 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3h46 h LEU 333 Cb 1.18 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 3h46 h LEU 333 CO 0.11 0.36 0.64 0.00 0.09 0.00 0.00 178.44 179.64 3h46 h ALA 334 N 0.92 1.35 0.00 1.53 0.00 -1.01 -2.05 119.26 120.00 3h46 h ALA 334 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h46 h ALA 334 Cb 0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3h46 h ALA 334 CO -0.01 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.77 3h46 h ALA 335 N 1.42 1.13 -0.22 0.00 0.00 -1.30 -2.12 119.26 118.18 3h46 h ALA 335 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3h46 h ALA 335 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3h46 h ALA 335 CO -0.11 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.82 3h46 n LYS 336 N -3.33 1.98 -2.04 0.00 5.02 -0.77 -4.96 118.16 114.05 3h46 n LYS 336 Ca -0.02 -1.47 -0.42 0.00 -2.02 0.00 0.00 58.31 54.39 3h46 n LYS 336 Cb 0.19 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3h46 n LYS 336 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h46 s ALA 337 N -1.72 3.69 -0.81 7.82 0.00 -0.80 -4.92 121.76 125.02 3h46 s ALA 337 Ca 0.34 1.25 0.14 0.00 0.00 0.00 0.00 51.96 53.69 3h46 s ALA 337 Cb 0.19 -3.59 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 3h46 s ALA 337 CO 0.28 -0.72 0.64 1.63 0.00 0.00 0.00 175.76 177.59 3h46 n LYS 338 N 4.03 2.26 -0.77 0.00 4.76 -1.26 -4.99 118.16 122.20 3h46 n LYS 338 Ca 0.13 -0.17 -0.29 0.00 -2.87 0.00 0.00 58.31 55.11 3h46 n LYS 338 Cb 0.40 -1.17 0.24 0.00 -1.84 0.00 0.00 35.03 32.66 3h46 n LYS 338 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3h46 s GLY 339 N -2.19 1.53 0.00 0.72 0.00 -1.26 -4.89 107.32 101.22 3h46 s GLY 339 Ca 0.07 -0.41 0.10 0.00 0.00 0.00 0.00 44.72 44.48 3h46 s GLY 339 CO 0.53 0.34 1.18 1.22 0.00 0.00 0.00 173.10 176.37 3h46 n ASP 340 N -4.80 0.00 -2.15 1.64 10.43 -1.26 -4.84 116.55 115.57 3h46 n ASP 340 Ca 0.06 0.06 -0.11 0.00 2.57 0.00 0.00 54.79 57.37 3h46 n ASP 340 Cb 0.57 -0.24 0.04 0.00 1.84 0.00 0.00 41.12 43.33 3h46 n ASP 340 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3h46 n ASN 341 N -1.24 -3.63 -0.10 -2.24 2.85 -1.26 -4.96 115.26 104.69 3h46 n ASN 341 Ca 0.05 -0.29 0.01 0.00 -0.11 0.00 0.00 54.58 54.24 3h46 n ASN 341 Cb 0.07 -2.86 0.02 0.00 1.24 0.00 0.00 39.78 38.25 3h46 n ASN 341 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 3h46 n GLU 342 N -2.78 1.57 -3.44 1.20 0.28 -1.26 -4.97 120.64 111.25 3h46 n GLU 342 Ca -0.04 -1.22 -0.38 0.00 -0.16 0.00 0.00 57.16 55.36 3h46 n GLU 342 Cb 0.55 -1.04 -0.06 0.00 1.43 0.00 0.00 31.44 32.31 3h46 n GLU 342 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3h46 s VAL 343 N -0.68 5.13 -0.06 3.84 1.01 -1.26 -4.43 120.40 123.94 3h46 s VAL 343 Ca 0.03 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.89 3h46 s VAL 343 Cb 0.02 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3h46 s VAL 343 CO 0.03 0.46 -0.18 -0.31 0.00 0.00 0.00 175.10 175.09 3h46 s TYR 344 N -0.22 1.92 -0.16 5.22 2.02 -0.58 -4.69 117.35 120.87 3h46 s TYR 344 Ca 0.23 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 3h46 s TYR 344 Cb -0.16 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.11 3h46 s TYR 344 CO 0.11 -0.26 -0.20 0.08 -1.57 0.00 0.00 175.55 173.72 3h46 s VAL 345 N 0.24 2.19 -0.64 0.71 1.01 -1.26 -1.24 120.40 121.41 3h46 s VAL 345 Ca -0.10 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 3h46 s VAL 345 Cb -0.14 -1.90 0.16 0.00 0.00 0.00 0.00 36.38 34.50 3h46 s VAL 345 CO 0.04 0.54 0.45 -0.69 0.00 0.00 0.00 175.10 175.44 3h46 s VAL 346 N 1.04 3.69 -1.21 2.92 1.01 0.75 -4.55 120.40 124.05 3h46 s VAL 346 Ca -0.01 -3.04 -0.08 0.00 0.00 0.00 0.00 61.98 58.85 3h46 s VAL 346 Cb -0.14 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3h46 s VAL 346 CO -0.06 -0.89 2.91 -0.81 0.00 0.00 0.00 175.10 176.25 3h46 n PRO 347 N 3.39 3.57 -1.70 2.72 -0.04 -1.26 -1.61 135.00 140.08 3h46 n PRO 347 Ca 0.08 -2.34 -0.36 0.00 -0.04 0.00 0.00 63.50 60.84 3h46 n PRO 347 Cb 0.37 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.22 3h46 n PRO 347 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h46 n ALA 348 N 2.74 6.88 -0.20 0.55 0.00 -1.26 -4.72 120.51 124.49 3h46 n ALA 348 Ca 0.67 -3.64 0.08 0.00 0.00 0.00 0.00 53.44 50.55 3h46 n ALA 348 Cb 0.37 -2.76 0.36 0.00 0.00 0.00 0.00 19.45 17.42 3h46 n ALA 348 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3h46 h PHE 349 N 4.30 0.76 -0.27 0.00 0.04 -1.85 -0.52 116.94 119.40 3h46 h PHE 349 Ca 0.65 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.44 3h46 h PHE 349 Cb 0.45 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.35 3h46 h PHE 349 CO 1.65 0.37 0.00 0.25 -0.60 0.00 0.00 178.31 179.99 3h46 n THR 350 N -4.50 2.15 0.00 -1.55 -2.24 -1.26 -4.63 114.28 102.26 3h46 n THR 350 Ca 0.12 -1.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 3h46 n THR 350 Cb 0.30 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3h46 n THR 350 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h46 n GLY 351 N -0.41 2.10 3.75 3.38 0.00 -0.21 -4.83 105.19 108.97 3h46 n GLY 351 Ca 0.20 -2.03 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 3h46 n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h46 s LEU 352 N 0.00 4.32 0.00 0.99 1.43 -0.36 -4.68 118.68 120.38 3h46 s LEU 352 Ca 0.00 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3h46 s LEU 352 Cb 0.00 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3h46 s LEU 352 CO 0.00 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.30 3h46 n GLY 353 N 2.91 0.34 3.74 -3.19 0.00 -1.26 -1.73 105.19 106.00 3h46 n GLY 353 Ca -0.10 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 3h46 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h46 n ALA 354 N -3.00 1.63 1.46 4.61 0.00 -0.45 -0.69 120.51 124.07 3h46 n ALA 354 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.63 3h46 n ALA 354 Cb 0.00 -2.36 0.16 0.00 0.00 0.00 0.00 19.45 17.25 3h46 n ALA 354 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h46 n PRO 355 N -0.87 1.41 -0.01 0.00 -0.04 -1.26 -4.70 135.00 129.53 3h46 n PRO 355 Ca 0.10 -0.63 -0.20 0.00 -0.04 0.00 0.00 63.50 62.72 3h46 n PRO 355 Cb 0.44 -1.18 -0.14 0.00 -0.04 0.00 0.00 33.50 32.58 3h46 n PRO 355 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3h46 h TYR 356 N 1.07 0.35 -6.33 0.54 0.05 -1.18 -3.45 116.97 108.02 3h46 h TYR 356 Ca 0.00 -0.26 -0.46 0.00 0.05 0.00 0.00 58.73 58.06 3h46 h TYR 356 Cb 0.24 -0.01 0.03 0.00 1.01 0.00 0.00 36.73 38.00 3h46 h TYR 356 CO 0.11 1.40 -0.91 0.91 -1.05 0.00 0.00 178.16 178.61 3h46 n TRP 357 N -4.14 -1.79 -3.82 4.88 7.02 -0.61 -4.93 117.44 114.04 3h46 n TRP 357 Ca -0.20 0.58 -0.34 0.00 -1.02 0.00 0.00 57.50 56.52 3h46 n TRP 357 Cb 0.79 -3.62 -0.12 0.00 -2.42 0.00 0.00 31.31 25.94 3h46 n TRP 357 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h46 s ASP 358 N -3.89 5.00 0.17 -0.99 -1.08 -0.71 -4.96 116.67 110.21 3h46 s ASP 358 Ca 0.26 -2.54 0.18 0.00 -0.52 0.00 0.00 52.55 49.93 3h46 s ASP 358 Cb -0.09 -1.77 0.80 0.00 -1.46 0.00 0.00 42.92 40.39 3h46 s ASP 358 CO 0.87 -0.40 1.55 -1.54 0.52 0.00 0.00 175.17 176.17 3h46 n SER 359 N 3.86 0.39 -0.20 -0.34 3.41 -1.26 -1.23 113.62 118.25 3h46 n SER 359 Ca 0.04 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.38 3h46 n SER 359 Cb 0.38 -0.69 0.04 0.00 -0.26 0.00 0.00 64.21 63.68 3h46 n SER 359 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h46 n GLU 360 N -1.95 0.51 -2.49 4.33 -0.58 -1.26 -4.37 120.64 114.83 3h46 n GLU 360 Ca 0.02 -0.40 -0.36 0.00 -0.42 0.00 0.00 57.16 56.00 3h46 n GLU 360 Cb 0.15 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 3h46 n GLU 360 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h46 s ALA 361 N -2.76 2.98 0.43 0.62 0.00 -1.16 -4.87 121.76 117.00 3h46 s ALA 361 Ca 0.14 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.85 3h46 s ALA 361 Cb 0.17 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3h46 s ALA 361 CO 0.70 -0.33 0.04 1.03 0.00 0.00 0.00 175.76 177.20 3h46 s ARG 362 N -2.79 1.97 0.54 0.00 1.81 -1.24 -2.23 118.95 117.01 3h46 s ARG 362 Ca 0.62 -2.18 -0.21 0.00 -1.72 0.00 0.00 55.73 52.24 3h46 s ARG 362 Cb -0.21 -1.25 -0.05 0.00 -0.45 0.00 0.00 34.95 32.98 3h46 s ARG 362 CO 0.26 -0.26 1.25 0.20 -0.68 0.00 0.00 175.30 176.07 3h46 s GLY 363 N -3.70 2.80 0.17 -3.53 0.00 -1.14 -4.38 107.32 97.54 3h46 s GLY 363 Ca 0.23 1.10 -0.17 0.00 0.00 0.00 0.00 44.72 45.88 3h46 s GLY 363 CO 0.12 1.55 0.48 0.00 0.00 0.00 0.00 173.10 175.25 3h46 s ALA 364 N -1.48 -0.94 -0.03 3.20 0.00 -0.63 -4.89 121.76 116.99 3h46 s ALA 364 Ca 0.72 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 3h46 s ALA 364 Cb -0.33 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.60 3h46 s ALA 364 CO 0.38 -0.75 0.10 0.08 0.00 0.00 0.00 175.76 175.58 3h46 s VAL 365 N -3.85 0.01 0.07 0.00 1.01 -1.26 -0.18 120.40 116.20 3h46 s VAL 365 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 3h46 s VAL 365 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 3h46 s VAL 365 CO -0.06 -0.04 0.08 -0.36 0.00 0.00 0.00 175.10 174.71 3h46 s PHE 366 N -0.10 0.37 -0.22 5.22 0.08 -0.37 -4.91 117.98 118.05 3h46 s PHE 366 Ca -0.02 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.18 3h46 s PHE 366 Cb -0.02 -0.24 0.00 0.00 -0.57 0.00 0.00 43.02 42.19 3h46 s PHE 366 CO 0.00 -0.46 0.00 0.41 -0.10 0.00 0.00 175.22 175.07 3h46 n GLY 367 N 0.02 0.55 3.74 4.36 0.00 -1.26 -1.52 105.19 111.08 3h46 n GLY 367 Ca -0.14 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 3h46 n GLY 367 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h46 s LEU 368 N -0.46 4.41 0.38 0.99 1.43 -1.26 -4.54 118.68 119.62 3h46 s LEU 368 Ca 0.00 2.48 0.04 0.00 -1.03 0.00 0.00 54.13 55.62 3h46 s LEU 368 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 3h46 s LEU 368 CO 0.00 -0.57 0.14 0.42 0.23 0.00 0.00 176.35 176.57 3h46 s THR 369 N 0.03 0.55 0.35 5.49 -4.23 -1.26 -5.02 115.64 111.54 3h46 s THR 369 Ca 0.57 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.41 3h46 s THR 369 Cb -0.38 -2.43 0.35 0.00 1.34 0.00 0.00 72.50 71.38 3h46 s THR 369 CO 0.40 0.00 2.09 -0.09 -0.54 0.00 0.00 174.62 176.48 3h46 h ARG 370 N 1.92 0.00 -0.06 3.99 9.65 -2.07 -2.47 114.38 125.35 3h46 h ARG 370 Ca -0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 3h46 h ARG 370 Cb 1.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 3h46 h ARG 370 CO 0.55 0.07 0.00 0.41 2.80 0.00 0.00 179.97 183.80 3h46 n GLY 371 N -0.48 0.05 3.66 2.80 0.00 -1.26 -4.86 105.19 105.09 3h46 n GLY 371 Ca -0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3h46 n GLY 371 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h46 s THR 372 N -1.94 3.58 0.35 2.61 2.01 -0.93 -4.93 115.64 116.40 3h46 s THR 372 Ca 0.37 0.70 0.07 0.00 0.31 0.00 0.00 61.69 63.13 3h46 s THR 372 Cb 0.20 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 3h46 s THR 372 CO 0.31 -0.07 0.48 0.42 -0.69 0.00 0.00 174.62 175.08 3h46 s THR 373 N 4.13 3.85 0.24 -0.82 -4.23 -1.26 -4.96 115.64 112.60 3h46 s THR 373 Ca 0.74 -1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.18 3h46 s THR 373 Cb -0.33 -3.32 0.24 0.00 1.34 0.00 0.00 72.50 70.43 3h46 s THR 373 CO 0.30 -0.13 1.67 0.50 -0.54 0.00 0.00 174.62 176.41 3h46 h LYS 374 N 0.85 0.18 -0.69 3.99 3.64 -1.99 0.83 116.57 123.39 3h46 h LYS 374 Ca -0.45 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.95 3h46 h LYS 374 Cb 1.26 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 3h46 h LYS 374 CO 0.51 0.12 0.43 0.93 -2.27 0.00 0.00 179.45 179.17 3h46 h GLU 375 N 0.19 0.82 -0.68 1.90 3.07 -1.95 0.11 114.58 118.04 3h46 h GLU 375 Ca 0.40 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 59.15 3h46 h GLU 375 Cb 0.69 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 3h46 h GLU 375 CO -0.56 0.54 0.18 -0.44 -1.40 0.00 0.00 179.01 177.33 3h46 h ASP 376 N 0.84 1.00 -0.51 1.42 3.32 -1.41 -0.48 116.42 120.61 3h46 h ASP 376 Ca 0.27 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3h46 h ASP 376 Cb 0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3h46 h ASP 376 CO -0.10 0.95 -0.03 0.15 -1.72 0.00 0.00 179.24 178.48 3h46 h PHE 377 N 1.02 1.02 -0.40 4.55 3.57 0.31 -1.60 116.94 125.41 3h46 h PHE 377 Ca 0.22 -0.19 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 3h46 h PHE 377 Cb 0.33 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3h46 h PHE 377 CO 0.02 0.95 -0.27 0.28 -2.23 0.00 0.00 178.31 177.07 3h46 h VAL 378 N 0.79 1.27 -0.45 1.41 2.07 -0.65 -2.15 116.25 118.54 3h46 h VAL 378 Ca 0.14 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 3h46 h VAL 378 Cb 0.57 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3h46 h VAL 378 CO 0.03 0.47 0.15 -0.09 0.02 0.00 0.00 177.57 178.16 3h46 h ARG 379 N 0.73 0.69 -0.60 1.57 2.43 -0.85 -2.33 114.38 116.02 3h46 h ARG 379 Ca 0.09 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3h46 h ARG 379 Cb 0.81 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 3h46 h ARG 379 CO 0.07 0.66 0.24 0.00 -1.51 0.00 0.00 179.97 179.43 3h46 h ALA 380 N 1.00 1.29 -0.24 2.80 0.00 -1.20 -1.74 119.26 121.17 3h46 h ALA 380 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3h46 h ALA 380 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3h46 h ALA 380 CO -0.01 0.53 0.08 1.15 0.00 0.00 0.00 179.25 181.00 3h46 h THR 381 N 0.87 1.19 -0.57 0.00 2.02 -1.07 -2.66 112.91 112.68 3h46 h THR 381 Ca 0.21 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 3h46 h THR 381 Cb 0.17 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3h46 h THR 381 CO -0.02 0.19 0.20 -0.07 0.37 0.00 0.00 175.52 176.19 3h46 h LEU 382 N 0.23 0.77 -1.41 2.58 3.38 -1.06 -2.80 115.31 117.00 3h46 h LEU 382 Ca 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3h46 h LEU 382 Cb 0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3h46 h LEU 382 CO -0.00 0.72 -0.10 1.56 0.09 0.00 0.00 178.44 180.70 3h46 h GLN 383 N 0.82 0.00 -0.65 1.13 4.20 -1.06 -3.23 115.11 116.33 3h46 h GLN 383 Ca 0.19 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.99 3h46 h GLN 383 Cb 0.21 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.92 3h46 h GLN 383 CO -0.01 0.10 0.30 0.00 -0.67 0.00 0.00 178.83 178.55 3h46 h ALA 384 N 1.90 0.88 -0.26 3.87 0.00 -1.20 -1.41 119.26 123.04 3h46 h ALA 384 Ca -0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3h46 h ALA 384 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3h46 h ALA 384 CO 0.01 -0.11 -0.10 -0.24 0.00 0.00 0.00 179.25 178.82 3h46 h VAL 385 N 0.52 1.21 -0.40 0.00 3.04 -1.76 0.26 116.25 119.12 3h46 h VAL 385 Ca 0.32 -0.90 -0.10 0.00 -1.01 0.00 0.00 66.70 65.02 3h46 h VAL 385 Cb 0.36 1.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 3h46 h VAL 385 CO -0.27 0.29 -0.13 0.00 -1.01 0.00 0.00 177.57 176.45 3h46 h ALA 386 N 1.51 0.56 -0.03 3.17 0.00 -1.47 -0.74 119.26 122.25 3h46 h ALA 386 Ca 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3h46 h ALA 386 Cb 0.42 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3h46 h ALA 386 CO 0.02 0.45 0.01 1.88 0.00 0.00 0.00 179.25 181.62 3h46 h TYR 387 N 0.61 0.04 -0.04 0.00 0.05 -0.51 -2.31 116.97 114.81 3h46 h TYR 387 Ca 0.10 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 3h46 h TYR 387 Cb 0.66 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 3h46 h TYR 387 CO 0.05 0.16 -0.38 0.37 -1.05 0.00 0.00 178.16 177.31 3h46 h GLN 388 N -0.09 0.08 -0.48 4.88 4.15 -0.93 -1.65 115.11 121.07 3h46 h GLN 388 Ca 0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 3h46 h GLN 388 Cb 0.14 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3h46 h GLN 388 CO -0.00 0.45 0.22 0.77 -1.93 0.00 0.00 178.83 178.34 3h46 h SER 389 N 0.07 0.60 -0.29 -0.69 0.02 -1.01 -1.73 113.55 110.51 3h46 h SER 389 Ca 0.01 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3h46 h SER 389 Cb 0.71 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3h46 h SER 389 CO 0.05 0.52 0.01 0.50 -1.14 0.00 0.00 176.83 176.78 3h46 h LYS 390 N 0.68 0.50 -0.67 3.45 3.64 -0.75 0.36 116.57 123.79 3h46 h LYS 390 Ca 0.17 -0.15 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 3h46 h LYS 390 Cb 0.09 -0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 31.73 3h46 h LYS 390 CO -0.02 0.64 -0.17 -0.44 -2.27 0.00 0.00 179.45 177.19 3h46 h ASP 391 N 0.30 -0.62 -0.08 4.20 3.32 -0.96 0.21 116.42 122.79 3h46 h ASP 391 Ca 0.08 0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 3h46 h ASP 391 Cb 0.40 0.41 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 3h46 h ASP 391 CO 0.01 -0.22 -0.10 0.58 -1.72 0.00 0.00 179.24 177.79 3h46 h VAL 392 N -0.00 1.37 -0.64 -1.35 2.07 -1.04 -2.19 116.25 114.47 3h46 h VAL 392 Ca 0.32 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3h46 h VAL 392 Cb 0.49 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3h46 h VAL 392 CO -0.69 0.36 0.40 0.40 0.02 0.00 0.00 177.57 178.06 3h46 h ILE 393 N -0.22 1.18 -1.00 4.57 2.04 -0.67 -0.01 117.51 123.40 3h46 h ILE 393 Ca 0.01 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3h46 h ILE 393 Cb 0.63 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 3h46 h ILE 393 CO 0.02 0.19 0.66 0.44 0.00 0.00 0.00 178.15 179.46 3h46 h ASP 394 N 0.87 1.15 -0.47 1.72 3.32 -0.93 -0.26 116.42 121.83 3h46 h ASP 394 Ca 0.23 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3h46 h ASP 394 Cb -0.04 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 3h46 h ASP 394 CO -0.05 0.83 0.26 0.74 -1.72 0.00 0.00 179.24 179.31 3h46 h THR 395 N 1.36 1.16 -1.01 0.35 2.02 -0.71 -0.70 112.91 115.38 3h46 h THR 395 Ca 0.37 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3h46 h THR 395 Cb -0.16 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 66.78 3h46 h THR 395 CO -0.08 0.17 0.66 0.24 0.37 0.00 0.00 175.52 176.88 3h46 h MET 396 N 0.62 1.24 -0.40 6.66 2.86 -0.59 0.74 114.93 126.06 3h46 h MET 396 Ca 0.17 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3h46 h MET 396 Cb 0.04 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 3h46 h MET 396 CO -0.03 0.82 0.15 0.87 1.06 0.00 0.00 176.91 179.78 3h46 h LYS 397 N 1.28 0.61 -0.40 1.72 1.57 -0.87 -1.40 116.57 119.08 3h46 h LYS 397 Ca 0.40 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 59.09 3h46 h LYS 397 Cb -0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3h46 h LYS 397 CO -0.12 0.59 0.20 -0.22 -0.57 0.00 0.00 179.45 179.33 3h46 h LYS 398 N 0.50 0.40 0.02 3.15 3.64 -0.57 -1.11 116.57 122.61 3h46 h LYS 398 Ca 0.13 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.28 3h46 h LYS 398 Cb 0.22 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3h46 h LYS 398 CO -0.01 0.26 -0.92 -0.44 -2.27 0.00 0.00 179.45 176.08 3h46 h ASP 399 N 0.41 0.22 0.00 4.20 3.32 -0.78 -3.33 116.42 120.47 3h46 h ASP 399 Ca 0.17 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3h46 h ASP 399 Cb 0.07 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h46 h ASP 399 CO -0.12 1.03 -1.52 -1.54 -1.72 0.00 0.00 179.24 175.38 3h46 n SER 400 N -3.61 0.50 0.00 6.45 3.41 -0.53 -4.03 113.62 115.81 3h46 n SER 400 Ca -0.03 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 3h46 n SER 400 Cb 0.84 1.52 0.00 0.00 -0.26 0.00 0.00 64.21 66.31 3h46 n SER 400 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h46 n GLY 401 N 1.38 0.42 3.67 5.00 0.00 -0.42 -4.93 105.19 110.31 3h46 n GLY 401 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3h46 n GLY 401 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h46 s ILE 402 N -1.30 3.67 0.45 -0.61 -1.09 -1.26 -5.01 121.20 116.05 3h46 s ILE 402 Ca 0.00 0.95 -0.22 0.00 -2.23 0.00 0.00 60.65 59.14 3h46 s ILE 402 Cb 0.00 -3.61 -0.08 0.00 -1.58 0.00 0.00 42.46 37.19 3h46 s ILE 402 CO 0.00 -0.04 1.09 -0.62 -1.23 0.00 0.00 174.94 174.13 3h46 s ASP 403 N 2.50 6.41 -0.45 3.58 2.15 -1.26 -4.57 116.67 125.03 3h46 s ASP 403 Ca 0.67 2.10 0.04 0.00 0.43 0.00 0.00 52.55 55.79 3h46 s ASP 403 Cb -0.32 -2.58 0.12 0.00 -0.30 0.00 0.00 42.92 39.84 3h46 s ASP 403 CO 0.26 -0.74 0.19 -0.63 -0.17 0.00 0.00 175.17 174.09 3h46 s ILE 404 N -1.71 2.30 -1.28 4.11 1.01 -1.26 -4.94 121.20 119.44 3h46 s ILE 404 Ca 0.63 -2.88 0.27 0.00 0.00 0.00 0.00 60.65 58.67 3h46 s ILE 404 Cb -0.23 -2.64 0.19 0.00 0.01 0.00 0.00 42.46 39.80 3h46 s ILE 404 CO 0.28 -0.74 1.62 -0.81 0.00 0.00 0.00 174.94 175.29 3h46 n PRO 405 N 3.56 0.30 -3.73 2.79 -0.04 -1.26 -4.87 135.00 131.76 3h46 n PRO 405 Ca 0.05 -0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.25 3h46 n PRO 405 Cb 0.36 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.20 3h46 n PRO 405 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h46 s LEU 406 N -2.80 0.37 -0.16 1.53 2.96 -1.26 -3.30 118.68 116.02 3h46 s LEU 406 Ca 0.18 0.64 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 3h46 s LEU 406 Cb 0.19 0.96 0.02 0.00 0.50 0.00 0.00 46.19 47.85 3h46 s LEU 406 CO 0.59 -0.16 -0.20 -0.22 -1.32 0.00 0.00 176.35 175.04 3h46 s LEU 407 N 1.06 2.09 0.18 -0.68 2.96 -0.61 -4.71 118.68 118.97 3h46 s LEU 407 Ca -0.07 -0.62 -0.26 0.00 -0.22 0.00 0.00 54.13 52.95 3h46 s LEU 407 Cb -0.08 -1.44 -0.08 0.00 0.50 0.00 0.00 46.19 45.09 3h46 s LEU 407 CO -0.08 0.03 0.82 -0.54 -1.32 0.00 0.00 176.35 175.26 3h46 s LYS 408 N 1.12 4.64 0.08 1.98 1.02 -1.01 -0.90 119.74 126.67 3h46 s LYS 408 Ca 0.00 1.24 0.04 0.00 0.02 0.00 0.00 55.97 57.27 3h46 s LYS 408 Cb -0.14 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 3h46 s LYS 408 CO -0.08 0.55 -0.11 0.14 -0.92 0.00 0.00 175.35 174.93 3h46 s VAL 409 N -1.14 0.97 0.26 3.17 -7.23 0.44 -1.25 120.40 115.63 3h46 s VAL 409 Ca 0.37 -1.47 -0.11 0.00 -1.81 0.00 0.00 61.98 58.97 3h46 s VAL 409 Cb -0.24 -1.18 0.04 0.00 0.56 0.00 0.00 36.38 35.57 3h46 s VAL 409 CO 0.28 -0.42 0.57 -0.90 -0.31 0.00 0.00 175.10 174.32 3h46 n ASP 410 N 0.90 -1.58 0.00 4.85 5.68 -0.91 -0.91 116.55 124.58 3h46 n ASP 410 Ca -0.18 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 3h46 n ASP 410 Cb 0.56 2.63 0.00 0.00 -1.14 0.00 0.00 41.12 43.17 3h46 n ASP 410 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h46 n GLY 411 N -0.39 2.63 0.31 6.12 0.00 -0.67 -0.97 105.19 112.22 3h46 n GLY 411 Ca -0.06 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 3h46 n GLY 411 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h46 h GLY 412 N 0.00 1.20 2.00 -0.02 0.00 -1.70 -2.20 103.07 102.34 3h46 h GLY 412 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3h46 h GLY 412 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 176.54 176.84 3h46 h ALA 413 N 1.36 1.00 0.00 3.60 0.00 -1.71 -2.88 119.26 120.63 3h46 h ALA 413 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3h46 h ALA 413 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h46 h ALA 413 CO -0.14 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.11 3h46 n ALA 414 N -1.90 1.46 0.27 0.00 0.00 -0.83 -2.94 120.51 116.56 3h46 n ALA 414 Ca 0.02 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.62 3h46 n ALA 414 Cb 0.26 -1.26 0.76 0.00 0.00 0.00 0.00 19.45 19.21 3h46 n ALA 414 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3h46 h LYS 415 N 0.00 0.00 -5.95 0.00 2.10 -1.67 -3.41 116.57 107.64 3h46 h LYS 415 Ca 0.00 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.16 3h46 h LYS 415 Cb 0.21 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 3h46 h LYS 415 CO 0.00 0.08 1.35 1.21 -2.00 0.00 0.00 179.45 180.09 3h46 s ASN 416 N -6.32 5.22 0.26 7.07 3.84 -1.15 -4.88 114.94 118.98 3h46 s ASN 416 Ca -0.04 0.34 -0.03 0.00 0.21 0.00 0.00 52.86 53.34 3h46 s ASN 416 Cb 0.14 -2.53 0.37 0.00 -0.55 0.00 0.00 41.25 38.68 3h46 s ASN 416 CO 0.59 -2.42 1.89 0.44 -2.79 0.00 0.00 177.10 174.81 3h46 h ASP 417 N 15.07 1.06 -0.54 -4.21 3.32 -1.92 -1.08 116.42 128.13 3h46 h ASP 417 Ca -0.25 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.72 3h46 h ASP 417 Cb 1.16 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 3h46 h ASP 417 CO 1.22 0.70 0.03 -0.07 -1.72 0.00 0.00 179.24 179.39 3h46 h LEU 418 N 1.21 0.94 -0.35 1.55 3.38 -1.96 0.89 115.31 120.97 3h46 h LEU 418 Ca 0.41 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3h46 h LEU 418 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3h46 h LEU 418 CO -0.15 0.98 -0.19 0.25 0.09 0.00 0.00 178.44 179.42 3h46 h LEU 419 N 0.90 0.78 -0.48 1.67 5.85 -1.88 0.37 115.31 122.54 3h46 h LEU 419 Ca 0.17 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 3h46 h LEU 419 Cb 0.49 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3h46 h LEU 419 CO 0.02 1.03 0.08 0.24 -0.34 0.00 0.00 178.44 179.47 3h46 h MET 420 N 0.54 0.78 -0.54 1.25 2.86 -1.01 -0.21 114.93 118.60 3h46 h MET 420 Ca 0.08 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3h46 h MET 420 Cb 0.74 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 3h46 h MET 420 CO 0.06 0.79 0.35 0.37 1.06 0.00 0.00 176.91 179.53 3h46 h GLN 421 N 0.66 0.69 -0.49 1.72 5.75 -0.74 -1.86 115.11 120.83 3h46 h GLN 421 Ca 0.15 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.64 3h46 h GLN 421 Cb 0.38 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 3h46 h GLN 421 CO 0.01 0.45 0.26 0.35 -2.65 0.00 0.00 178.83 177.25 3h46 h PHE 422 N 0.71 0.47 -0.41 3.99 3.57 -0.61 0.14 116.94 124.80 3h46 h PHE 422 Ca 0.21 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.80 3h46 h PHE 422 Cb -0.05 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.48 3h46 h PHE 422 CO -0.04 0.24 -0.03 0.37 -2.23 0.00 0.00 178.31 176.62 3h46 h GLN 423 N 0.51 0.07 -0.34 1.11 5.75 -0.68 -0.31 115.11 121.22 3h46 h GLN 423 Ca 0.21 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.69 3h46 h GLN 423 Cb 0.10 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 3h46 h GLN 423 CO -0.14 0.05 0.13 0.00 -2.65 0.00 0.00 178.83 176.22 3h46 h ALA 424 N 1.38 0.44 -0.23 3.38 0.00 -0.82 -1.95 119.26 121.46 3h46 h ALA 424 Ca 0.20 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3h46 h ALA 424 Cb 0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3h46 h ALA 424 CO -0.37 0.05 -0.37 -0.44 0.00 0.00 0.00 179.25 178.12 3h46 h ASP 425 N 0.40 -1.19 0.91 0.00 3.32 -0.35 0.12 116.42 119.64 3h46 h ASP 425 Ca 0.11 0.18 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 3h46 h ASP 425 Cb 0.19 0.51 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3h46 h ASP 425 CO -0.01 -0.38 -0.45 0.16 -1.72 0.00 0.00 179.24 176.85 3h46 h ILE 426 N -0.39 0.98 0.00 0.35 -0.00 -0.99 -3.00 117.51 114.45 3h46 h ILE 426 Ca 0.11 -1.76 -0.14 0.00 -0.00 0.00 0.00 64.86 63.07 3h46 h ILE 426 Cb 0.58 2.06 -0.02 0.00 -0.00 0.00 0.00 36.82 39.43 3h46 h ILE 426 CO -0.44 0.44 -0.69 -0.07 -0.00 0.00 0.00 178.15 177.39 3h46 h LEU 427 N 0.00 0.00 -0.15 0.16 3.38 -1.18 -3.48 115.31 114.04 3h46 h LEU 427 Ca -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.53 3h46 h LEU 427 Cb 1.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3h46 h LEU 427 CO 0.06 0.69 -0.67 -0.67 0.09 0.00 0.00 178.44 177.94 3h46 n ASP 428 N -3.33 -4.62 -4.22 -0.43 2.03 0.41 -5.02 116.55 101.37 3h46 n ASP 428 Ca 0.01 -0.57 -0.17 0.00 0.52 0.00 0.00 54.79 54.58 3h46 n ASP 428 Cb 0.79 -3.74 -0.11 0.00 -0.72 0.00 0.00 41.12 37.34 3h46 n ASP 428 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3h46 s ILE 429 N -3.15 1.21 0.33 5.18 -4.36 -1.22 -4.93 121.20 114.25 3h46 s ILE 429 Ca 0.52 -1.72 -0.29 0.00 -0.26 0.00 0.00 60.65 58.90 3h46 s ILE 429 Cb -0.26 -1.50 -0.11 0.00 1.25 0.00 0.00 42.46 41.84 3h46 s ILE 429 CO 0.65 -0.48 1.41 -1.81 0.24 0.00 0.00 174.94 174.94 3h46 s ASP 430 N -2.51 6.58 -0.25 4.36 -0.00 -1.21 -4.41 116.67 119.24 3h46 s ASP 430 Ca 0.09 2.82 -0.01 0.00 -0.00 0.00 0.00 52.55 55.45 3h46 s ASP 430 Cb -0.04 -2.65 0.03 0.00 -0.00 0.00 0.00 42.92 40.26 3h46 s ASP 430 CO 0.02 -0.70 -0.07 -0.69 -0.00 0.00 0.00 175.17 173.73 3h46 s VAL 431 N -0.84 2.77 -0.37 -1.27 1.01 0.33 -1.57 120.40 120.46 3h46 s VAL 431 Ca 0.53 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 3h46 s VAL 431 Cb -0.43 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.56 3h46 s VAL 431 CO 0.54 0.20 0.21 -1.58 0.00 0.00 0.00 175.10 174.47 3h46 s GLN 432 N 1.30 2.99 0.10 2.72 0.74 -0.08 0.06 119.66 127.49 3h46 s GLN 432 Ca -0.00 -0.97 -0.23 0.00 0.05 0.00 0.00 55.36 54.20 3h46 s GLN 432 Cb -0.17 -3.74 -0.07 0.00 1.10 0.00 0.00 33.01 30.13 3h46 s GLN 432 CO -0.05 -0.64 0.71 0.50 -0.55 0.00 0.00 175.29 175.26 3h46 s ARG 433 N 1.59 4.44 0.31 1.67 3.52 0.34 -0.42 118.95 130.41 3h46 s ARG 433 Ca 0.03 1.00 -0.29 0.00 -0.13 0.00 0.00 55.73 56.33 3h46 s ARG 433 Cb -0.19 -3.28 -0.12 0.00 -1.56 0.00 0.00 34.95 29.81 3h46 s ARG 433 CO 0.07 0.52 1.55 0.00 -0.81 0.00 0.00 175.30 176.63 3h46 n ALA 434 N 1.95 2.41 -0.28 6.12 0.00 -0.09 -2.61 120.51 128.01 3h46 n ALA 434 Ca -0.06 0.37 0.06 0.00 0.00 0.00 0.00 53.44 53.80 3h46 n ALA 434 Cb 0.50 -2.44 0.21 0.00 0.00 0.00 0.00 19.45 17.72 3h46 n ALA 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h46 h ALA 435 N 4.23 1.21 -3.10 0.00 0.00 -1.81 -3.36 119.26 116.43 3h46 h ALA 435 Ca -0.48 0.09 -0.68 0.00 0.00 0.00 0.00 54.91 53.84 3h46 h ALA 435 Cb 1.23 -0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.74 3h46 h ALA 435 CO 0.75 -0.10 -0.64 1.21 0.00 0.00 0.00 179.25 180.47 3h46 s ASN 436 N -5.42 5.05 0.47 0.00 3.84 -1.26 -5.00 114.94 112.62 3h46 s ASN 436 Ca -0.12 -0.86 0.19 0.00 0.21 0.00 0.00 52.86 52.28 3h46 s ASN 436 Cb 0.21 -1.84 1.15 0.00 -0.55 0.00 0.00 41.25 40.22 3h46 s ASN 436 CO 0.78 -0.22 2.01 -0.07 -2.79 0.00 0.00 177.10 176.81 3h46 h LEU 437 N 8.19 0.00 -6.18 3.21 3.38 -1.92 -3.23 115.31 118.77 3h46 h LEU 437 Ca -0.29 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 56.94 3h46 h LEU 437 Cb 1.11 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 3h46 h LEU 437 CO 0.60 0.18 2.51 -0.62 0.09 0.00 0.00 178.44 181.19 3h46 n GLU 438 N -4.05 3.42 0.18 1.13 4.71 -1.26 -1.68 120.64 123.10 3h46 n GLU 438 Ca -0.02 -3.15 0.13 0.00 -0.01 0.00 0.00 57.16 54.11 3h46 n GLU 438 Cb 0.25 -3.02 0.32 0.00 -1.01 0.00 0.00 31.44 27.98 3h46 n GLU 438 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 3h46 h THR 439 N 3.72 0.00 0.19 2.62 1.35 -1.93 -3.12 112.91 115.74 3h46 h THR 439 Ca 0.49 -0.72 0.01 0.00 -0.55 0.00 0.00 66.41 65.64 3h46 h THR 439 Cb 0.60 1.71 -0.04 0.00 -1.73 0.00 0.00 68.15 68.68 3h46 h THR 439 CO 1.72 0.00 -0.36 0.74 -0.25 0.00 0.00 175.52 177.36 3h46 h THR 440 N 0.00 0.25 -0.87 6.82 2.02 -1.82 0.10 112.91 119.41 3h46 h THR 440 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3h46 h THR 440 Cb 0.82 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3h46 h THR 440 CO 0.00 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.34 3h46 h ALA 441 N -0.10 1.14 -0.38 6.16 0.00 -1.91 -2.24 119.26 121.93 3h46 h ALA 441 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h46 h ALA 441 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3h46 h ALA 441 CO -0.17 0.67 0.24 1.25 0.00 0.00 0.00 179.25 181.24 3h46 h LEU 442 N 1.23 0.45 -0.49 0.00 5.85 -1.45 -0.74 115.31 120.16 3h46 h LEU 442 Ca 0.30 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.09 3h46 h LEU 442 Cb 0.08 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 3h46 h LEU 442 CO -0.04 0.35 -0.16 1.23 -0.34 0.00 0.00 178.44 179.47 3h46 h GLY 443 N 0.51 0.27 1.00 3.75 0.00 -0.37 0.14 103.07 108.37 3h46 h GLY 443 Ca 0.14 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 3h46 h GLY 443 CO -0.03 -0.20 0.38 0.00 0.00 0.00 0.00 176.54 176.69 3h46 h ALA 444 N 1.39 0.84 -0.22 3.60 0.00 -1.10 -1.49 119.26 122.29 3h46 h ALA 444 Ca 0.24 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3h46 h ALA 444 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3h46 h ALA 444 CO -0.53 0.34 0.09 0.00 0.00 0.00 0.00 179.25 179.14 3h46 h ALA 445 N 1.19 0.25 -0.46 0.00 0.00 -0.61 -1.56 119.26 118.07 3h46 h ALA 445 Ca 0.23 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3h46 h ALA 445 Cb 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3h46 h ALA 445 CO -0.04 -0.33 0.16 1.88 0.00 0.00 0.00 179.25 180.93 3h46 h TYR 446 N 0.20 0.29 -0.53 0.00 0.05 -0.50 0.17 116.97 116.64 3h46 h TYR 446 Ca 0.09 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.92 3h46 h TYR 446 Cb 0.04 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 3h46 h TYR 446 CO -0.11 0.10 0.31 -0.07 -1.05 0.00 0.00 178.16 177.35 3h46 h LEU 447 N 0.33 0.50 -0.20 3.88 3.38 -1.15 0.36 115.31 122.41 3h46 h LEU 447 Ca 0.22 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 3h46 h LEU 447 Cb 0.21 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3h46 h LEU 447 CO -0.22 0.35 -0.18 0.00 0.09 0.00 0.00 178.44 178.49 3h46 h ALA 448 N 1.24 0.30 -0.88 1.53 0.00 -0.73 -2.53 119.26 118.19 3h46 h ALA 448 Ca 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3h46 h ALA 448 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3h46 h ALA 448 CO -0.10 0.21 0.49 0.78 0.00 0.00 0.00 179.25 180.63 3h46 h GLY 449 N 0.16 1.30 1.15 0.00 0.00 -0.53 -2.16 103.07 102.99 3h46 h GLY 449 Ca 0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 3h46 h GLY 449 CO 0.05 0.56 0.41 1.41 0.00 0.00 0.00 176.54 178.96 3h46 h LEU 450 N 1.22 0.99 -1.25 3.11 3.38 -0.88 0.42 115.31 122.31 3h46 h LEU 450 Ca 0.31 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3h46 h LEU 450 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3h46 h LEU 450 CO -0.05 0.81 -0.11 0.00 0.09 0.00 0.00 178.44 179.18 3h46 h ALA 451 N 1.34 1.38 -0.42 1.53 0.00 -0.95 -2.90 119.26 119.24 3h46 h ALA 451 Ca 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h46 h ALA 451 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3h46 h ALA 451 CO -0.04 0.43 0.00 1.33 0.00 0.00 0.00 179.25 180.96 3h46 n VAL 452 N -4.24 0.77 -1.06 0.00 0.24 -1.01 -4.77 118.33 108.27 3h46 n VAL 452 Ca 0.00 -0.89 -0.02 0.00 -2.04 0.00 0.00 64.34 61.39 3h46 n VAL 452 Cb 0.29 0.69 -0.01 0.00 -1.47 0.00 0.00 33.84 33.34 3h46 n VAL 452 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h46 n GLY 453 N 1.04 0.53 0.36 7.63 0.00 -0.56 -4.88 105.19 109.31 3h46 n GLY 453 Ca 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 3h46 n GLY 453 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h46 h PHE 454 N 0.00 1.17 -4.03 1.61 3.57 -1.24 -3.38 116.94 114.64 3h46 h PHE 454 Ca -0.04 0.03 -0.57 0.00 3.53 0.00 0.00 57.97 60.92 3h46 h PHE 454 Cb 0.32 -0.39 -0.31 0.00 2.79 0.00 0.00 35.95 38.36 3h46 h PHE 454 CO 0.17 0.68 -0.84 -1.58 -2.23 0.00 0.00 178.31 174.52 3h46 s TRP 455 N -6.09 1.72 -0.11 0.41 0.51 -1.08 -5.00 118.94 109.30 3h46 s TRP 455 Ca -0.13 -0.45 -0.15 0.00 -2.12 0.00 0.00 56.10 53.26 3h46 s TRP 455 Cb 0.18 -1.14 -0.27 0.00 -0.81 0.00 0.00 33.47 31.43 3h46 s TRP 455 CO 0.81 -0.13 0.53 0.87 -0.51 0.00 0.00 176.95 178.52 3h46 h LYS 456 N 6.08 0.24 -4.36 4.98 1.79 -1.87 -3.33 116.57 120.11 3h46 h LYS 456 Ca -0.34 -0.41 -0.17 0.00 -2.18 0.00 0.00 60.65 57.55 3h46 h LYS 456 Cb 1.17 0.15 -0.16 0.00 -1.58 0.00 0.00 32.23 31.81 3h46 h LYS 456 CO 0.48 1.20 -0.69 0.16 -1.08 0.00 0.00 179.45 179.51 3h46 s ASP 457 N -7.04 0.68 0.53 0.86 1.47 -1.26 -4.94 116.67 106.97 3h46 s ASP 457 Ca -0.20 -0.89 0.22 0.00 1.18 0.00 0.00 52.55 52.85 3h46 s ASP 457 Cb 0.05 0.14 1.36 0.00 -0.34 0.00 0.00 42.92 44.12 3h46 s ASP 457 CO 0.76 -0.48 2.06 -0.07 0.68 0.00 0.00 175.17 178.12 3h46 h LEU 458 N 3.43 0.00 -1.66 2.11 4.07 -2.01 -2.20 115.31 119.05 3h46 h LEU 458 Ca -0.34 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.60 3h46 h LEU 458 Cb 1.16 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 3h46 h LEU 458 CO 0.60 0.00 0.00 0.44 -1.08 0.00 0.00 178.44 178.40 3h46 h ASP 459 N 0.00 0.19 0.41 -0.43 3.32 -2.00 -1.50 116.42 116.42 3h46 h ASP 459 Ca 0.14 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3h46 h ASP 459 Cb 0.57 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3h46 h ASP 459 CO -0.00 0.24 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.03 3h46 h GLU 460 N 0.22 0.00 -0.21 3.56 3.07 -1.81 -2.43 114.58 116.98 3h46 h GLU 460 Ca 0.05 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.83 3h46 h GLU 460 Cb 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3h46 h GLU 460 CO 0.00 0.39 -0.19 -0.07 -1.40 0.00 0.00 179.01 177.74 3h46 h LEU 461 N 0.00 0.53 -1.47 1.33 4.07 -1.33 -3.18 115.31 115.25 3h46 h LEU 461 Ca -0.00 -0.47 -0.06 0.00 0.08 0.00 0.00 57.88 57.43 3h46 h LEU 461 Cb 0.70 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 3h46 h LEU 461 CO 0.05 0.88 -0.27 0.11 -1.08 0.00 0.00 178.44 178.13 3h46 h LYS 462 N 0.17 0.00 0.00 1.13 1.57 -1.14 -1.18 116.57 117.12 3h46 h LYS 462 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3h46 h LYS 462 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3h46 h LYS 462 CO 0.05 0.27 0.00 -1.13 -0.57 0.00 0.00 179.45 178.07 3h46 n SER 463 N -4.06 0.39 0.05 0.86 3.41 -0.93 -1.89 113.62 111.45 3h46 n SER 463 Ca -0.02 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 3h46 n SER 463 Cb 0.33 -0.69 0.13 0.00 -0.26 0.00 0.00 64.21 63.72 3h46 n SER 463 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3h46 n MET 464 N -1.96 0.28 -1.68 4.33 2.81 -0.45 -4.95 117.12 115.52 3h46 n MET 464 Ca 0.02 0.05 -0.48 0.00 -1.81 0.00 0.00 57.70 55.48 3h46 n MET 464 Cb 0.15 -1.65 -0.05 0.00 -0.71 0.00 0.00 33.22 30.97 3h46 n MET 464 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h46 n ALA 465 N -1.82 0.86 -3.58 3.04 0.00 -0.79 -4.97 120.51 113.25 3h46 n ALA 465 Ca 0.03 0.35 -0.33 0.00 0.00 0.00 0.00 53.44 53.49 3h46 n ALA 465 Cb 0.44 -2.42 -0.16 0.00 0.00 0.00 0.00 19.45 17.31 3h46 n ALA 465 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h46 s GLU 466 N 2.93 3.07 0.52 0.00 8.01 -1.26 -5.11 118.70 126.86 3h46 s GLU 466 Ca 0.89 -0.83 -0.19 0.00 0.01 0.00 0.00 54.97 54.84 3h46 s GLU 466 Cb -0.73 -2.47 -0.07 0.00 -4.31 0.00 0.00 34.13 26.55 3h46 s GLU 466 CO 0.48 0.01 1.08 -1.21 0.01 0.00 0.00 175.26 175.64 3h46 s GLU 467 N 0.77 3.54 0.00 1.61 0.41 -1.26 -4.41 118.70 119.36 3h46 s GLU 467 Ca -0.08 1.47 0.00 0.00 -0.41 0.00 0.00 54.97 55.95 3h46 s GLU 467 Cb -0.16 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 3h46 s GLU 467 CO -0.01 -0.67 0.00 0.41 -0.49 0.00 0.00 175.26 174.51 3h46 n GLY 468 N -0.12 2.27 3.72 -1.39 0.00 -1.23 -4.59 105.19 103.86 3h46 n GLY 468 Ca 0.10 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 3h46 n GLY 468 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h46 s GLN 469 N -1.11 4.43 -0.05 1.61 -0.44 -1.07 -4.75 119.66 118.28 3h46 s GLN 469 Ca 0.00 1.85 -0.16 0.00 -2.50 0.00 0.00 55.36 54.55 3h46 s GLN 469 Cb 0.00 -3.30 -0.05 0.00 -1.64 0.00 0.00 33.01 28.02 3h46 s GLN 469 CO 0.00 -0.25 0.43 1.41 0.50 0.00 0.00 175.29 177.38 3h46 s MET 470 N 0.75 4.10 -0.20 1.67 -2.45 -1.26 -0.51 119.30 121.39 3h46 s MET 470 Ca 0.58 0.41 -0.02 0.00 -1.25 0.00 0.00 55.69 55.42 3h46 s MET 470 Cb -0.32 -3.31 0.00 0.00 1.25 0.00 0.00 34.83 32.46 3h46 s MET 470 CO 0.31 0.48 -0.11 -0.06 1.05 0.00 0.00 175.02 176.69 3h46 s PHE 471 N -0.41 2.88 -0.09 4.11 0.08 0.11 -5.00 117.98 119.66 3h46 s PHE 471 Ca 0.24 -1.22 -0.02 0.00 0.12 0.00 0.00 56.93 56.06 3h46 s PHE 471 Cb -0.16 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 3h46 s PHE 471 CO 0.12 -0.64 -0.01 0.95 -0.10 0.00 0.00 175.22 175.54 3h46 s THR 472 N 1.37 4.23 0.32 0.64 -4.23 -1.26 -0.52 115.64 116.19 3h46 s THR 472 Ca 0.05 -0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 59.99 3h46 s THR 472 Cb -0.14 -2.77 -0.12 0.00 1.34 0.00 0.00 72.50 70.81 3h46 s THR 472 CO -0.07 0.60 1.47 -0.81 -0.54 0.00 0.00 174.62 175.27 3h46 n PRO 473 N 2.22 2.47 -0.78 3.99 -0.04 -1.26 -4.75 135.00 136.85 3h46 n PRO 473 Ca -0.18 0.87 0.01 0.00 -0.04 0.00 0.00 63.50 64.16 3h46 n PRO 473 Cb 0.53 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 3h46 n PRO 473 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3h46 n GLU 474 N 1.30 0.00 -4.78 0.54 0.28 -1.26 -4.98 120.64 111.74 3h46 n GLU 474 Ca 0.06 -1.13 -0.33 0.00 -0.16 0.00 0.00 57.16 55.60 3h46 n GLU 474 Cb 0.36 -0.26 -0.14 0.00 1.43 0.00 0.00 31.44 32.83 3h46 n GLU 474 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 3h46 s MET 475 N 0.00 3.25 0.73 3.44 1.75 -1.26 -5.10 119.30 122.11 3h46 s MET 475 Ca 0.09 -0.68 -0.14 0.00 -1.25 0.00 0.00 55.69 53.71 3h46 s MET 475 Cb 0.10 -2.60 0.04 0.00 2.84 0.00 0.00 34.83 35.21 3h46 s MET 475 CO -0.04 0.29 1.14 -2.14 -0.65 0.00 0.00 175.02 173.61 3h46 s PRO 476 N 0.16 2.27 0.21 4.11 0.02 -1.26 -4.77 135.00 135.74 3h46 s PRO 476 Ca -0.07 1.48 -0.17 0.00 0.02 0.00 0.00 61.00 62.26 3h46 s PRO 476 Cb -0.15 -1.88 0.20 0.00 0.02 0.00 0.00 34.50 32.69 3h46 s PRO 476 CO 0.05 -1.68 1.59 0.00 -0.33 0.00 0.00 177.00 176.63 3h46 h ALA 477 N -0.52 0.16 -0.48 -1.55 0.00 -1.98 -2.18 119.26 112.71 3h46 h ALA 477 Ca -0.46 0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.72 3h46 h ALA 477 Cb 1.26 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 19.72 3h46 h ALA 477 CO 0.51 -0.58 0.20 1.49 0.00 0.00 0.00 179.25 180.87 3h46 h GLU 478 N -0.09 0.38 -0.03 0.00 4.81 -1.99 0.41 114.58 118.07 3h46 h GLU 478 Ca 0.28 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3h46 h GLU 478 Cb 0.55 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 3h46 h GLU 478 CO -0.73 0.25 0.01 1.49 -0.73 0.00 0.00 179.01 179.30 3h46 h GLU 479 N 0.39 0.05 -0.48 1.92 4.81 -1.88 -1.71 114.58 117.68 3h46 h GLU 479 Ca 0.22 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3h46 h GLU 479 Cb 0.20 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 3h46 h GLU 479 CO -0.20 0.27 0.19 -0.09 -0.73 0.00 0.00 179.01 178.45 3h46 h ARG 480 N -0.17 0.37 -0.30 1.92 2.43 -0.86 -0.51 114.38 117.26 3h46 h ARG 480 Ca 0.01 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 3h46 h ARG 480 Cb 0.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3h46 h ARG 480 CO 0.00 0.25 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.05 3h46 h ASP 481 N 0.38 0.58 -0.21 -3.80 3.32 -0.13 -2.26 116.42 114.31 3h46 h ASP 481 Ca 0.23 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 3h46 h ASP 481 Cb 0.21 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3h46 h ASP 481 CO -0.21 0.80 -0.21 0.78 -1.72 0.00 0.00 179.24 178.67 3h46 h ASN 482 N 0.51 0.54 -0.23 6.45 2.35 -0.79 -1.06 115.58 123.35 3h46 h ASN 482 Ca 0.08 -0.48 0.01 0.00 -0.55 0.00 0.00 56.30 55.36 3h46 h ASN 482 Cb 0.66 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 3h46 h ASN 482 CO 0.05 0.91 0.11 -0.07 -1.65 0.00 0.00 177.43 176.79 3h46 h LEU 483 N 0.18 0.17 -0.54 1.61 3.38 -1.04 -1.86 115.31 117.22 3h46 h LEU 483 Ca 0.03 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3h46 h LEU 483 Cb 0.76 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3h46 h LEU 483 CO 0.05 0.13 -0.12 0.22 0.09 0.00 0.00 178.44 178.82 3h46 h TYR 484 N 0.25 1.15 -0.54 1.13 3.20 -1.43 -1.99 116.97 118.73 3h46 h TYR 484 Ca 0.09 -0.24 0.07 0.00 3.14 0.00 0.00 58.73 61.79 3h46 h TYR 484 Cb 0.02 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 37.95 3h46 h TYR 484 CO -0.09 1.07 0.22 1.49 -1.64 0.00 0.00 178.16 179.20 3h46 h GLU 485 N 0.90 0.40 -0.44 1.82 4.57 -1.06 -1.24 114.58 119.53 3h46 h GLU 485 Ca 0.14 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.34 3h46 h GLU 485 Cb 0.69 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 3h46 h GLU 485 CO 0.05 0.26 0.18 0.78 -1.18 0.00 0.00 179.01 179.10 3h46 h GLY 486 N 0.41 0.58 0.47 1.92 0.00 -1.14 -1.26 103.07 104.05 3h46 h GLY 486 Ca 0.26 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.56 3h46 h GLY 486 CO -0.25 0.05 0.19 -0.25 0.00 0.00 0.00 176.54 176.28 3h46 h TRP 487 N 0.36 0.33 -0.70 5.60 2.91 -0.59 -0.85 115.95 123.01 3h46 h TRP 487 Ca 0.20 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.21 3h46 h TRP 487 Cb 0.17 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.72 3h46 h TRP 487 CO -0.14 0.09 0.28 0.87 -1.03 0.00 0.00 178.44 178.51 3h46 h LYS 488 N 0.36 1.03 -0.32 2.65 1.57 -0.79 0.71 116.57 121.79 3h46 h LYS 488 Ca 0.26 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 3h46 h LYS 488 Cb 0.30 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3h46 h LYS 488 CO -0.27 0.84 -0.24 1.96 -0.57 0.00 0.00 179.45 181.17 3h46 h GLN 489 N 1.01 0.63 -0.09 3.15 4.20 -0.85 -1.04 115.11 122.12 3h46 h GLN 489 Ca 0.23 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3h46 h GLN 489 Cb 0.20 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3h46 h GLN 489 CO -0.02 0.82 0.05 0.00 -0.67 0.00 0.00 178.83 179.01 3h46 h ALA 490 N 1.19 0.12 -0.44 3.87 0.00 -0.44 -0.62 119.26 122.93 3h46 h ALA 490 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h46 h ALA 490 Cb 0.70 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3h46 h ALA 490 CO 0.05 -0.35 0.22 0.28 0.00 0.00 0.00 179.25 179.45 3h46 h VAL 491 N 0.07 1.17 -0.28 0.00 2.07 -0.76 -1.08 116.25 117.44 3h46 h VAL 491 Ca 0.03 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.15 3h46 h VAL 491 Cb 0.06 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3h46 h VAL 491 CO -0.01 0.18 -0.08 0.00 0.02 0.00 0.00 177.57 177.69 3h46 h ALA 492 N 1.07 0.18 -0.60 1.67 0.00 -1.06 -0.84 119.26 119.69 3h46 h ALA 492 Ca 0.15 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3h46 h ALA 492 Cb 0.09 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3h46 h ALA 492 CO -0.02 -0.47 0.38 0.00 0.00 0.00 0.00 179.25 179.14 3h46 h ALA 493 N 1.27 0.77 -0.77 0.00 0.00 -0.99 -2.21 119.26 117.34 3h46 h ALA 493 Ca 0.14 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.12 3h46 h ALA 493 Cb 0.22 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 3h46 h ALA 493 CO -0.30 0.15 0.40 1.15 0.00 0.00 0.00 179.25 180.65 3h46 h THR 494 N 0.76 0.84 0.00 0.00 2.02 -0.80 -1.93 112.91 113.80 3h46 h THR 494 Ca 0.23 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h46 h THR 494 Cb -0.03 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3h46 h THR 494 CO -0.08 0.12 0.00 1.56 0.37 0.00 0.00 175.52 177.49 3h46 h GLN 495 N 0.66 0.00 0.00 6.66 4.20 -0.57 -2.45 115.11 123.61 3h46 h GLN 495 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 3h46 h GLN 495 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3h46 h GLN 495 CO -0.28 0.00 -0.34 1.79 -0.67 0.00 0.00 178.83 179.33 3h46 h THR 496 N 0.00 0.00 -2.77 -0.54 1.35 -0.85 -3.42 112.91 106.68 3h46 h THR 496 Ca 0.00 -0.83 -0.60 0.00 -0.55 0.00 0.00 66.41 64.43 3h46 h THR 496 Cb 0.48 1.65 -0.12 0.00 -1.73 0.00 0.00 68.15 68.43 3h46 h THR 496 CO 0.00 0.00 0.71 0.12 -0.25 0.00 0.00 175.52 176.10 3h46 s PHE 497 N -3.22 2.60 -0.37 4.73 5.36 -0.92 -4.83 117.98 121.33 3h46 s PHE 497 Ca 0.06 -0.20 0.13 0.00 -0.96 0.00 0.00 56.93 55.95 3h46 s PHE 497 Cb 0.09 -4.33 0.44 0.00 -0.34 0.00 0.00 43.02 38.88 3h46 s PHE 497 CO 0.69 -1.67 1.01 1.63 -1.46 0.00 0.00 175.22 175.42 3h46 n LYS 498 N 8.12 2.02 -2.52 10.12 4.76 -1.26 -4.71 118.16 134.68 3h46 n LYS 498 Ca 0.00 -3.74 -0.42 0.00 -2.87 0.00 0.00 58.31 51.29 3h46 n LYS 498 Cb 0.47 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 3h46 n LYS 498 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3h46 s PHE 499 N -3.28 3.53 -0.06 2.13 5.36 -1.26 -5.04 117.98 119.36 3h46 s PHE 499 Ca 0.35 1.47 -0.01 0.00 -0.96 0.00 0.00 56.93 57.78 3h46 s PHE 499 Cb 0.44 -3.31 0.03 0.00 -0.34 0.00 0.00 43.02 39.84 3h46 s PHE 499 CO -0.05 -0.79 -0.00 0.21 -1.46 0.00 0.00 175.22 173.13 3h46 s LYS 500 N 0.82 0.55 0.95 10.12 2.20 -1.26 -5.15 119.74 127.97 3h46 s LYS 500 Ca 0.55 0.10 -0.11 0.00 -0.36 0.00 0.00 55.97 56.15 3h46 s LYS 500 Cb -0.27 -0.86 0.13 0.00 -1.51 0.00 0.00 37.83 35.32 3h46 s LYS 500 CO 0.30 -0.25 0.92 0.00 -0.36 0.00 0.00 175.35 175.95 3h46 n ALA 501 N 4.89 -1.48 -0.34 3.13 0.00 -1.26 -5.35 120.51 120.09 3h46 n ALA 501 Ca -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3h46 n ALA 501 Cb 0.50 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3h46 n ALA 501 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67