#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhs h ILE 4 N 0.00 0.99 -0.22 0.53 6.09 -2.02 -2.64 117.51 120.24 3hhs h ILE 4 Ca 0.00 -0.16 -0.09 0.00 -1.37 0.00 0.00 64.86 63.24 3hhs h ILE 4 Cb 0.00 0.48 -0.01 0.00 0.47 0.00 0.00 36.82 37.75 3hhs h ILE 4 CO 0.00 0.09 -0.23 -0.26 -3.07 0.00 0.00 178.15 174.68 3hhs h PHE 5 N 0.47 0.45 -0.76 2.19 0.04 -2.00 -2.04 116.94 115.29 3hhs h PHE 5 Ca 0.22 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3hhs h PHE 5 Cb 0.25 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 3hhs h PHE 5 CO -0.00 0.61 0.46 -0.44 -0.60 0.00 0.00 178.31 178.34 3hhs h ASP 6 N 0.37 0.91 -0.35 2.17 3.32 -1.87 -1.62 116.42 119.35 3hhs h ASP 6 Ca 0.06 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3hhs h ASP 6 Cb 0.61 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3hhs h ASP 6 CO 0.04 0.70 0.14 0.28 -1.72 0.00 0.00 179.24 178.68 3hhs h SER 7 N 1.05 0.48 -0.47 6.45 0.02 -1.19 -2.07 113.55 117.83 3hhs h SER 7 Ca 0.27 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3hhs h SER 7 Cb -0.04 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 3hhs h SER 7 CO -0.05 0.52 0.26 -0.26 -1.14 0.00 0.00 176.83 176.16 3hhs h PHE 8 N 0.42 0.49 -0.28 3.45 0.04 -1.21 -2.73 116.94 117.11 3hhs h PHE 8 Ca 0.12 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.90 3hhs h PHE 8 Cb 0.19 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 3hhs h PHE 8 CO -0.00 0.27 0.18 0.93 -0.60 0.00 0.00 178.31 179.08 3hhs h GLU 9 N 0.52 0.37 0.00 1.51 5.08 -1.12 -2.37 114.58 118.58 3hhs h GLU 9 Ca 0.19 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3hhs h GLU 9 Cb 0.05 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hhs h GLU 9 CO -0.10 0.25 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.85 3hhs h LEU 10 N 0.38 0.00 0.00 1.33 3.38 -1.06 -2.68 115.31 116.66 3hhs h LEU 10 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hhs h LEU 10 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3hhs h LEU 10 CO -0.02 0.24 0.00 0.18 0.09 0.00 0.00 178.44 178.93 3hhs n LEU 11 N -3.56 0.00 0.11 1.67 4.77 -0.89 -1.51 117.00 117.59 3hhs n LEU 11 Ca -0.01 0.42 -0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3hhs n LEU 11 Cb 0.38 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3hhs n LEU 11 CO 0.33 -0.26 0.37 1.88 -1.33 0.00 0.00 177.39 178.38 3hhs h TYR 12 N 0.00 0.00 -3.94 -1.77 0.05 -1.63 -3.48 116.97 106.20 3hhs h TYR 12 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 3hhs h TYR 12 Cb 0.16 0.00 0.09 0.00 1.01 0.00 0.00 36.73 37.99 3hhs h TYR 12 CO 0.00 0.65 0.68 0.34 -1.05 0.00 0.00 178.16 178.78 3hhs s ASP 13 N -6.53 6.36 -0.93 3.88 2.15 -0.57 -4.13 116.67 116.89 3hhs s ASP 13 Ca 0.03 2.81 -0.09 0.00 0.43 0.00 0.00 52.55 55.73 3hhs s ASP 13 Cb 0.08 -2.65 0.01 0.00 -0.30 0.00 0.00 42.92 40.06 3hhs s ASP 13 CO 0.77 -0.83 0.64 0.54 -0.17 0.00 0.00 175.17 176.12 3hhs n ARG 14 N 0.32 -1.21 0.20 4.34 5.12 0.43 -4.82 116.66 121.04 3hhs n ARG 14 Ca 0.02 0.64 0.13 0.00 -1.93 0.00 0.00 57.85 56.71 3hhs n ARG 14 Cb 0.42 -2.73 0.71 0.00 -1.16 0.00 0.00 32.46 29.70 3hhs n ARG 14 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3hhs h PRO 15 N -0.87 0.00 -0.13 5.56 0.11 -1.78 -1.06 132.00 133.83 3hhs h PRO 15 Ca -0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.50 3hhs h PRO 15 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3hhs h PRO 15 CO 0.40 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.60 3hhs n GLY 16 N -1.52 -0.13 3.88 -0.55 0.00 -1.26 -4.76 105.19 100.84 3hhs n GLY 16 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3hhs n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hhs s GLU 17 N -1.84 3.64 1.02 1.61 2.02 -0.40 -4.98 118.70 119.76 3hhs s GLU 17 Ca 0.28 0.01 -0.13 0.00 0.02 0.00 0.00 54.97 55.16 3hhs s GLU 17 Cb 0.15 -3.07 0.20 0.00 0.10 0.00 0.00 34.13 31.51 3hhs s GLU 17 CO 0.22 0.63 1.10 -1.25 0.02 0.00 0.00 175.26 175.99 3hhs s PRO 18 N -1.74 0.28 -0.01 0.39 0.04 -1.26 -4.95 135.00 127.75 3hhs s PRO 18 Ca 0.28 0.42 0.07 0.00 0.04 0.00 0.00 61.00 61.82 3hhs s PRO 18 Cb -0.14 -1.73 0.23 0.00 0.04 0.00 0.00 34.50 32.90 3hhs s PRO 18 CO 0.16 -2.81 1.15 -1.33 0.04 0.00 0.00 177.00 174.21 3hhs n MET 19 N -4.22 1.67 -0.05 4.56 2.81 -1.26 -4.09 117.12 116.53 3hhs n MET 19 Ca 0.06 -0.91 -0.11 0.00 -1.81 0.00 0.00 57.70 54.92 3hhs n MET 19 Cb 0.58 -1.26 -0.05 0.00 -0.71 0.00 0.00 33.22 31.77 3hhs n MET 19 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3hhs h ILE 20 N 1.43 1.20 -1.74 2.02 1.08 -1.93 -3.44 117.51 116.14 3hhs h ILE 20 Ca 0.00 -0.65 -0.46 0.00 -0.39 0.00 0.00 64.86 63.36 3hhs h ILE 20 Cb 0.42 1.29 0.05 0.00 -3.07 0.00 0.00 36.82 35.50 3hhs h ILE 20 CO 0.02 0.20 -0.05 0.54 -0.69 0.00 0.00 178.15 178.17 3hhs s ASN 21 N -5.69 5.01 0.83 1.72 4.22 -1.26 -4.15 114.94 115.62 3hhs s ASN 21 Ca -0.14 -0.42 -0.11 0.00 -2.14 0.00 0.00 52.86 50.05 3hhs s ASN 21 Cb 0.07 -0.25 0.09 0.00 1.28 0.00 0.00 41.25 42.44 3hhs s ASN 21 CO 0.71 -1.35 1.10 0.42 -2.04 0.00 0.00 177.10 175.94 3hhs s THR 22 N -2.78 2.99 0.14 0.54 -4.23 -1.26 -4.75 115.64 106.29 3hhs s THR 22 Ca 0.61 0.32 0.08 0.00 -1.18 0.00 0.00 61.69 61.52 3hhs s THR 22 Cb -0.07 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 3hhs s THR 22 CO 0.39 -0.42 -0.19 -0.54 -0.54 0.00 0.00 174.62 173.33 3hhs s LYS 23 N -4.87 1.21 0.00 3.99 -0.14 -0.06 -4.89 119.74 114.99 3hhs s LYS 23 Ca 0.63 -1.32 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 3hhs s LYS 23 Cb -0.18 -1.33 0.00 0.00 -1.68 0.00 0.00 37.83 34.64 3hhs s LYS 23 CO 0.57 0.28 0.00 0.41 -0.76 0.00 0.00 175.35 175.85 3hhs n GLY 24 N 0.56 -1.67 0.45 -3.33 0.00 -1.26 -1.17 105.19 98.77 3hhs n GLY 24 Ca -0.15 -1.52 0.27 0.00 0.00 0.00 0.00 46.02 44.62 3hhs n GLY 24 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hhs h GLU 25 N 0.00 0.20 -0.46 1.61 4.39 -2.00 -2.13 114.58 116.19 3hhs h GLU 25 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3hhs h GLU 25 Cb 0.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3hhs h GLU 25 CO 0.00 0.13 0.00 -0.25 -1.16 0.00 0.00 179.01 177.73 3hhs n ASP 26 N -4.42 2.77 -3.22 1.42 8.00 -1.26 -4.90 116.55 114.94 3hhs n ASP 26 Ca 0.23 -1.96 -0.06 0.00 0.71 0.00 0.00 54.79 53.71 3hhs n ASP 26 Cb 0.96 -0.30 0.01 0.00 -0.02 0.00 0.00 41.12 41.76 3hhs n ASP 26 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hhs n LYS 27 N 1.02 -1.41 -4.07 -1.24 4.76 -0.80 -3.16 118.16 113.26 3hhs n LYS 27 Ca 0.18 1.30 -0.35 0.00 -2.87 0.00 0.00 58.31 56.57 3hhs n LYS 27 Cb 0.46 -5.11 -0.10 0.00 -1.84 0.00 0.00 35.03 28.44 3hhs n LYS 27 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hhs s VAL 28 N -3.04 4.71 -0.16 -0.18 1.01 -0.31 -1.37 120.40 121.06 3hhs s VAL 28 Ca 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 3hhs s VAL 28 Cb -0.01 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3hhs s VAL 28 CO 0.78 0.49 0.18 -0.22 0.00 0.00 0.00 175.10 176.34 3hhs s LEU 29 N 0.11 4.29 -0.26 3.92 2.96 -0.71 -0.88 118.68 128.10 3hhs s LEU 29 Ca 0.04 0.40 -0.24 0.00 -0.22 0.00 0.00 54.13 54.12 3hhs s LEU 29 Cb -0.12 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 3hhs s LEU 29 CO 0.01 0.24 0.79 -0.36 -1.32 0.00 0.00 176.35 175.71 3hhs s PHE 30 N -0.11 3.28 -0.42 5.38 0.08 -1.26 0.24 117.98 125.17 3hhs s PHE 30 Ca 0.13 1.01 -0.28 0.00 0.12 0.00 0.00 56.93 57.90 3hhs s PHE 30 Cb -0.12 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 3hhs s PHE 30 CO 0.02 -0.43 1.52 -1.21 -0.10 0.00 0.00 175.22 175.02 3hhs s GLU 31 N 2.83 3.45 0.44 0.44 0.41 0.20 -4.89 118.70 121.58 3hhs s GLU 31 Ca 0.33 0.99 -0.15 0.00 -0.41 0.00 0.00 54.97 55.73 3hhs s GLU 31 Cb -0.15 -4.09 -0.08 0.00 -1.78 0.00 0.00 34.13 28.03 3hhs s GLU 31 CO 0.09 -1.72 0.88 -0.51 -0.49 0.00 0.00 175.26 173.51 3hhs s LEU 32 N 5.98 3.80 0.39 1.80 1.43 -1.26 -4.43 118.68 126.40 3hhs s LEU 32 Ca 0.65 1.43 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 3hhs s LEU 32 Cb -0.15 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 3hhs s LEU 32 CO 0.32 -0.44 0.07 0.42 0.23 0.00 0.00 176.35 176.94 3hhs s THR 33 N -2.38 1.07 0.33 5.49 -4.23 -1.26 -5.02 115.64 109.64 3hhs s THR 33 Ca 0.57 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.20 3hhs s THR 33 Cb -0.10 -2.56 0.32 0.00 1.34 0.00 0.00 72.50 71.51 3hhs s THR 33 CO 0.26 0.00 1.69 -0.08 -0.54 0.00 0.00 174.62 175.95 3hhs h GLU 34 N 1.84 0.42 0.00 3.99 4.57 -2.00 -1.23 114.58 122.17 3hhs h GLU 34 Ca -0.40 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3hhs h GLU 34 Cb 1.27 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3hhs h GLU 34 CO 0.67 0.28 -0.02 1.96 -1.18 0.00 0.00 179.01 180.71 3hhs h GLN 35 N 0.43 0.00 -0.56 1.92 4.20 -2.01 -2.92 115.11 116.17 3hhs h GLN 35 Ca 0.70 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.41 3hhs h GLN 35 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 3hhs h GLN 35 CO -0.55 0.02 0.00 1.19 -0.67 0.00 0.00 178.83 178.82 3hhs n PHE 36 N -3.43 1.55 -2.52 2.96 3.72 -0.46 -5.00 117.46 114.28 3hhs n PHE 36 Ca -0.02 -0.68 -0.27 0.00 -0.05 0.00 0.00 57.45 56.43 3hhs n PHE 36 Cb 0.13 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 38.36 3hhs n PHE 36 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hhs s LEU 37 N -2.22 3.42 0.25 4.37 1.43 -1.10 -4.90 118.68 119.93 3hhs s LEU 37 Ca 0.50 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 54.45 3hhs s LEU 37 Cb 0.35 -3.69 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 3hhs s LEU 37 CO 0.19 -0.83 -0.05 0.42 0.23 0.00 0.00 176.35 176.31 3hhs s THR 38 N -2.86 1.45 0.25 5.49 -4.23 -1.26 -5.01 115.64 109.47 3hhs s THR 38 Ca 0.51 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.88 3hhs s THR 38 Cb -0.10 -2.36 0.24 0.00 1.34 0.00 0.00 72.50 71.61 3hhs s THR 38 CO 0.45 -0.35 1.85 -0.65 -0.54 0.00 0.00 174.62 175.38 3hhs h PRO 39 N 2.38 0.96 -0.95 3.99 0.11 -2.00 -0.18 132.00 136.30 3hhs h PRO 39 Ca -0.39 -0.06 0.27 0.00 0.11 0.00 0.00 66.00 65.93 3hhs h PRO 39 Cb 1.23 -0.22 -0.14 0.00 0.11 0.00 0.00 31.00 31.98 3hhs h PRO 39 CO 0.66 0.63 0.44 1.49 -0.21 0.00 0.00 178.00 181.01 3hhs h GLU 40 N 0.98 0.32 -0.23 1.05 4.57 -2.04 -2.52 114.58 116.71 3hhs h GLU 40 Ca 0.41 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.46 3hhs h GLU 40 Cb 0.26 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.71 3hhs h GLU 40 CO -0.20 0.21 -0.19 0.66 -1.18 0.00 0.00 179.01 178.30 3hhs n TYR 41 N -5.09 0.72 -0.31 0.92 4.01 -0.42 -4.83 117.16 112.17 3hhs n TYR 41 Ca 0.26 -1.52 -0.05 0.00 -0.16 0.00 0.00 57.90 56.44 3hhs n TYR 41 Cb 0.81 -0.40 0.08 0.00 -0.31 0.00 0.00 39.34 39.53 3hhs n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hhs h ALA 42 N 1.00 1.12 0.00 -0.72 0.00 -0.63 -0.81 119.26 119.23 3hhs h ALA 42 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hhs h ALA 42 Cb 1.43 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hhs h ALA 42 CO 0.25 0.67 -1.19 0.09 0.00 0.00 0.00 179.25 179.07 3hhs n ASN 43 N -4.31 0.78 0.00 0.00 5.03 -1.26 -4.56 115.26 110.94 3hhs n ASN 43 Ca 0.09 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.78 3hhs n ASN 43 Cb 0.14 1.22 0.00 0.00 -1.02 0.00 0.00 39.78 40.12 3hhs n ASN 43 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 3hhs n ASN 44 N -1.65 0.18 -0.14 6.41 6.94 -1.21 -4.86 115.26 120.93 3hhs n ASN 44 Ca 0.02 -0.52 -0.06 0.00 -0.02 0.00 0.00 54.58 54.00 3hhs n ASN 44 Cb 0.37 0.53 0.03 0.00 -2.36 0.00 0.00 39.78 38.35 3hhs n ASN 44 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 3hhs h GLY 45 N 0.00 0.62 1.22 4.83 0.00 -1.38 -1.36 103.07 106.99 3hhs h GLY 45 Ca 0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 47.33 46.97 3hhs h GLY 45 CO 0.00 0.12 -0.61 1.41 0.00 0.00 0.00 176.54 177.47 3hhs h LEU 46 N 0.47 0.91 -0.53 3.11 3.38 -1.89 -1.32 115.31 119.44 3hhs h LEU 46 Ca 0.19 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3hhs h LEU 46 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3hhs h LEU 46 CO -0.12 1.31 0.34 -0.08 0.09 0.00 0.00 178.44 179.98 3hhs h GLU 47 N 0.60 0.68 -0.46 1.13 4.81 -1.86 0.39 114.58 119.88 3hhs h GLU 47 Ca -0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3hhs h GLU 47 Cb 1.21 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3hhs h GLU 47 CO 0.13 0.45 0.22 -0.07 -0.73 0.00 0.00 179.01 179.01 3hhs h LEU 48 N 0.70 0.60 -0.74 1.64 3.38 -1.17 -0.59 115.31 119.12 3hhs h LEU 48 Ca 0.20 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hhs h LEU 48 Cb -0.06 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3hhs h LEU 48 CO -0.06 0.56 0.46 -1.13 0.09 0.00 0.00 178.44 178.36 3hhs h ASN 49 N 0.59 0.89 -0.13 -0.43 -0.73 -0.96 -0.42 115.58 114.40 3hhs h ASN 49 Ca 0.16 -0.06 0.02 0.00 1.87 0.00 0.00 56.30 58.29 3hhs h ASN 49 Cb 0.12 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 3hhs h ASN 49 CO -0.02 0.68 -0.00 0.78 -0.37 0.00 0.00 177.43 178.50 3hhs h ASN 50 N 1.01 -0.06 -0.34 1.15 -0.26 -0.57 -1.77 115.58 114.76 3hhs h ASN 50 Ca 0.27 0.03 0.04 0.00 -0.56 0.00 0.00 56.30 56.08 3hhs h ASN 50 Cb -0.05 0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.22 3hhs h ASN 50 CO -0.05 -0.01 0.09 0.03 -1.06 0.00 0.00 177.43 176.43 3hhs h ARG 51 N 0.04 0.22 -0.94 0.81 3.08 -0.45 -2.08 114.38 115.05 3hhs h ARG 51 Ca 0.06 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hhs h ARG 51 Cb 0.07 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 3hhs h ARG 51 CO -0.10 0.14 0.59 0.74 -1.07 0.00 0.00 179.97 180.27 3hhs h PHE 52 N 0.22 1.22 0.00 3.04 0.04 -0.96 -2.80 116.94 117.71 3hhs h PHE 52 Ca 0.16 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.93 3hhs h PHE 52 Cb 0.15 -0.41 0.00 0.00 2.20 0.00 0.00 35.95 37.90 3hhs h PHE 52 CO -0.16 0.80 0.00 0.78 -0.60 0.00 0.00 178.31 179.13 3hhs h GLY 53 N 1.29 0.00 1.93 -1.45 0.00 -1.03 -3.07 103.07 100.75 3hhs h GLY 53 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3hhs h GLY 53 CO -0.07 0.00 -0.04 1.22 0.00 0.00 0.00 176.54 177.65 3hhs n ASP 54 N -2.82 0.21 -4.75 0.19 10.43 -0.81 -4.83 116.55 114.17 3hhs n ASP 54 Ca 0.03 0.47 -0.35 0.00 2.57 0.00 0.00 54.79 57.50 3hhs n ASP 54 Cb 0.39 -0.51 0.04 0.00 1.84 0.00 0.00 41.12 42.89 3hhs n ASP 54 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3hhs s GLU 55 N -3.02 2.83 0.17 -1.24 2.02 -1.16 -4.96 118.70 113.33 3hhs s GLU 55 Ca 0.13 1.75 -0.15 0.00 0.02 0.00 0.00 54.97 56.72 3hhs s GLU 55 Cb 0.17 -1.92 0.08 0.00 0.10 0.00 0.00 34.13 32.56 3hhs s GLU 55 CO 0.56 -1.30 1.79 0.93 0.02 0.00 0.00 175.26 177.26 3hhs h GLU 56 N 0.59 0.46 -0.02 1.61 5.08 -1.90 -2.91 114.58 117.49 3hhs h GLU 56 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3hhs h GLU 56 Cb 1.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3hhs h GLU 56 CO 0.54 0.30 0.00 0.39 -1.00 0.00 0.00 179.01 179.25 3hhs n GLU 57 N -4.88 1.21 -2.06 2.33 1.02 -1.26 -4.87 120.64 112.12 3hhs n GLU 57 Ca 0.02 -0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 56.44 3hhs n GLU 57 Cb 0.09 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 3hhs n GLU 57 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hhs s VAL 58 N -1.98 3.47 0.06 2.62 1.01 -1.10 -4.73 120.40 119.75 3hhs s VAL 58 Ca 0.39 0.78 -0.12 0.00 0.00 0.00 0.00 61.98 63.03 3hhs s VAL 58 Cb 0.19 -3.50 -0.30 0.00 0.00 0.00 0.00 36.38 32.77 3hhs s VAL 58 CO 0.31 -0.03 1.10 0.77 0.00 0.00 0.00 175.10 177.26 3hhs h SER 59 N 8.62 0.73 -5.11 3.32 4.64 -1.17 -3.49 113.55 121.09 3hhs h SER 59 Ca -0.39 -0.72 0.18 0.00 -0.47 0.00 0.00 61.79 60.39 3hhs h SER 59 Cb 1.18 -0.23 -0.11 0.00 -0.31 0.00 0.00 62.40 62.92 3hhs h SER 59 CO 0.93 1.54 0.55 0.00 -0.87 0.00 0.00 176.83 178.98 3hhs s ARG 60 N -2.83 0.93 -0.04 4.77 1.70 -1.26 -5.07 118.95 117.15 3hhs s ARG 60 Ca -0.08 -0.46 0.04 0.00 -0.47 0.00 0.00 55.73 54.76 3hhs s ARG 60 Cb 0.06 0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 34.79 3hhs s ARG 60 CO 0.92 -0.42 -0.16 0.15 -1.08 0.00 0.00 175.30 174.71 3hhs s LYS 61 N -3.08 1.67 -0.25 3.89 1.02 -1.26 -1.75 119.74 119.99 3hhs s LYS 61 Ca 0.10 -0.57 -0.16 0.00 0.02 0.00 0.00 55.97 55.37 3hhs s LYS 61 Cb -0.00 -1.46 -0.03 0.00 -0.52 0.00 0.00 37.83 35.81 3hhs s LYS 61 CO -0.02 0.22 0.41 0.42 -0.92 0.00 0.00 175.35 175.46 3hhs s ILE 62 N 0.06 5.15 -0.15 2.17 1.01 0.14 -4.92 121.20 124.66 3hhs s ILE 62 Ca -0.04 0.67 -0.19 0.00 0.00 0.00 0.00 60.65 61.09 3hhs s ILE 62 Cb -0.11 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3hhs s ILE 62 CO 0.02 0.16 0.52 -0.63 0.00 0.00 0.00 174.94 175.01 3hhs s ILE 63 N 1.99 5.14 -0.04 2.92 1.09 -1.26 -0.62 121.20 130.40 3hhs s ILE 63 Ca 0.17 1.02 -0.07 0.00 -1.10 0.00 0.00 60.65 60.67 3hhs s ILE 63 Cb -0.16 -3.86 -0.04 0.00 -1.06 0.00 0.00 42.46 37.34 3hhs s ILE 63 CO 0.09 0.25 0.22 -0.76 -0.10 0.00 0.00 174.94 174.64 3hhs s LEU 64 N 1.07 4.39 0.26 2.97 1.43 -1.26 -5.01 118.68 122.53 3hhs s LEU 64 Ca 0.27 0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 53.60 3hhs s LEU 64 Cb -0.15 -2.43 -0.09 0.00 0.03 0.00 0.00 46.19 43.54 3hhs s LEU 64 CO 0.11 0.32 1.22 -0.75 0.23 0.00 0.00 176.35 177.48 3hhs s LYS 65 N -1.45 4.48 0.29 1.70 2.20 -1.26 -4.98 119.74 120.71 3hhs s LYS 65 Ca 0.22 1.99 -0.30 0.00 -0.36 0.00 0.00 55.97 57.53 3hhs s LYS 65 Cb -0.13 -3.16 -0.13 0.00 -1.51 0.00 0.00 37.83 32.90 3hhs s LYS 65 CO 0.12 -0.05 1.30 -1.71 -0.36 0.00 0.00 175.35 174.66 3hhs n ASN 66 N 1.56 2.54 -4.61 1.43 5.15 -1.26 -4.79 115.26 115.28 3hhs n ASN 66 Ca 0.01 1.17 -0.42 0.00 -0.60 0.00 0.00 54.58 54.75 3hhs n ASN 66 Cb 0.43 -1.43 -0.04 0.00 -0.53 0.00 0.00 39.78 38.21 3hhs n ASN 66 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3hhs s LEU 67 N -0.31 4.06 0.30 1.20 1.43 -1.26 -4.94 118.68 119.16 3hhs s LEU 67 Ca 0.62 0.67 0.08 0.00 -1.03 0.00 0.00 54.13 54.46 3hhs s LEU 67 Cb -0.63 -3.17 0.47 0.00 0.03 0.00 0.00 46.19 42.89 3hhs s LEU 67 CO 0.56 -0.71 1.70 0.44 0.23 0.00 0.00 176.35 178.57 3hhs h ASP 68 N 8.22 0.17 -3.43 2.29 3.32 -2.01 -3.42 116.42 121.56 3hhs h ASP 68 Ca -0.24 -0.08 -0.42 0.00 0.02 0.00 0.00 57.03 56.31 3hhs h ASP 68 Cb 1.09 -0.05 -0.34 0.00 0.22 0.00 0.00 39.33 40.25 3hhs h ASP 68 CO 0.93 0.61 -0.78 -0.54 -1.72 0.00 0.00 179.24 177.74 3hhs s LYS 69 N -4.04 0.92 -0.06 3.56 1.02 -1.26 -5.12 119.74 114.76 3hhs s LYS 69 Ca -0.04 -0.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.53 3hhs s LYS 69 Cb 0.13 -0.93 -0.04 0.00 -0.52 0.00 0.00 37.83 36.48 3hhs s LYS 69 CO 0.77 -0.09 1.30 0.42 -0.92 0.00 0.00 175.35 176.82 3hhs s ILE 70 N 0.98 4.05 0.34 2.17 -1.09 -1.26 -4.97 121.20 121.42 3hhs s ILE 70 Ca -0.10 1.37 -0.27 0.00 -2.23 0.00 0.00 60.65 59.42 3hhs s ILE 70 Cb -0.14 -3.88 -0.12 0.00 -1.58 0.00 0.00 42.46 36.73 3hhs s ILE 70 CO -0.00 -0.03 1.17 -2.65 -1.23 0.00 0.00 174.94 172.20 3hhs n PRO 71 N 5.59 1.79 -4.25 2.79 -0.02 -1.26 -4.99 135.00 134.66 3hhs n PRO 71 Ca 0.12 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.90 3hhs n PRO 71 Cb 0.45 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.67 3hhs n PRO 71 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hhs s GLU 72 N -1.81 3.79 -0.41 -0.52 2.02 -1.26 -5.04 118.70 115.46 3hhs s GLU 72 Ca 0.57 -0.45 0.11 0.00 0.02 0.00 0.00 54.97 55.22 3hhs s GLU 72 Cb -0.60 -3.03 0.40 0.00 0.10 0.00 0.00 34.13 30.99 3hhs s GLU 72 CO 0.61 0.26 0.93 1.19 0.02 0.00 0.00 175.26 178.27 3hhs n PHE 73 N 3.51 2.01 -0.06 1.61 3.72 -1.26 -4.96 117.46 122.03 3hhs n PHE 73 Ca -0.17 -3.39 0.05 0.00 -0.05 0.00 0.00 57.45 53.88 3hhs n PHE 73 Cb 0.52 -0.35 0.40 0.00 -0.94 0.00 0.00 39.48 39.12 3hhs n PHE 73 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hhs h PRO 74 N 2.90 0.61 0.06 -1.08 0.13 -2.00 -1.43 132.00 131.20 3hhs h PRO 74 Ca 0.09 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 65.06 3hhs h PRO 74 Cb 0.92 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 31.93 3hhs h PRO 74 CO 0.65 0.41 -0.54 0.87 -0.23 0.00 0.00 178.00 179.15 3hhs h LYS 75 N 0.63 0.27 0.00 0.86 1.57 -1.95 -3.39 116.57 114.56 3hhs h LYS 75 Ca 0.20 -0.36 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 3hhs h LYS 75 Cb 0.03 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3hhs h LYS 75 CO -0.05 1.11 -0.58 0.00 -0.57 0.00 0.00 179.45 179.36 3hhs h ALA 76 N 0.18 0.77 0.00 3.86 0.00 -1.71 -2.41 119.26 119.94 3hhs h ALA 76 Ca -0.08 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3hhs h ALA 76 Cb 1.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hhs h ALA 76 CO 0.10 0.72 0.00 0.36 0.00 0.00 0.00 179.25 180.43 3hhs n LYS 77 N -3.45 0.08 0.00 0.00 2.85 -0.59 -2.20 118.16 114.86 3hhs n LYS 77 Ca 0.00 0.41 0.14 0.00 -1.05 0.00 0.00 58.31 57.82 3hhs n LYS 77 Cb 0.68 -1.69 0.63 0.00 -0.65 0.00 0.00 35.03 34.00 3hhs n LYS 77 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3hhs n GLN 78 N -1.85 0.12 -2.96 -1.58 6.02 -0.91 -4.71 117.38 111.51 3hhs n GLN 78 Ca 0.02 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 3hhs n GLN 78 Cb 0.13 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.84 3hhs n GLN 78 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3hhs s LEU 79 N -2.88 4.09 0.74 1.08 2.96 -0.93 -5.04 118.68 118.69 3hhs s LEU 79 Ca 0.18 0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 54.65 3hhs s LEU 79 Cb 0.19 -3.06 0.04 0.00 0.50 0.00 0.00 46.19 43.87 3hhs s LEU 79 CO 0.52 -0.57 1.23 -2.84 -1.32 0.00 0.00 176.35 173.37 3hhs s PRO 80 N 2.88 2.03 0.58 0.98 0.02 -1.26 -4.39 135.00 135.84 3hhs s PRO 80 Ca 0.32 1.84 0.36 0.00 0.02 0.00 0.00 61.00 63.54 3hhs s PRO 80 Cb -0.14 -1.81 1.78 0.00 0.02 0.00 0.00 34.50 34.35 3hhs s PRO 80 CO 0.11 -1.94 2.16 -0.91 -0.33 0.00 0.00 177.00 176.09 3hhs h ASN 81 N -0.33 0.00 -0.66 2.53 2.35 -1.95 -2.76 115.58 114.76 3hhs h ASN 81 Ca -0.48 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 54.99 3hhs h ASN 81 Cb 1.31 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.51 3hhs h ASN 81 CO 0.49 0.04 0.26 -0.90 -1.65 0.00 0.00 177.43 175.67 3hhs n ASP 82 N -3.27 3.72 -4.86 5.81 5.75 -1.26 -4.50 116.55 117.94 3hhs n ASP 82 Ca -0.01 -3.48 -0.25 0.00 -0.01 0.00 0.00 54.79 51.04 3hhs n ASP 82 Cb 0.20 -0.72 -0.04 0.00 -1.03 0.00 0.00 41.12 39.52 3hhs n ASP 82 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hhs s ALA 83 N -3.15 3.71 0.07 2.12 0.00 -1.04 -4.19 121.76 119.28 3hhs s ALA 83 Ca 0.51 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 3hhs s ALA 83 Cb 0.43 -1.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 3hhs s ALA 83 CO 0.08 0.43 0.41 -0.51 0.00 0.00 0.00 175.76 176.17 3hhs s ASP 84 N -3.39 6.69 -0.11 0.00 -0.00 -1.26 -4.76 116.67 113.83 3hhs s ASP 84 Ca 0.32 0.85 0.00 0.00 -0.00 0.00 0.00 52.55 53.72 3hhs s ASP 84 Cb -0.10 -2.20 -0.02 0.00 -0.00 0.00 0.00 42.92 40.60 3hhs s ASP 84 CO 0.26 0.19 -0.11 0.12 -0.00 0.00 0.00 175.17 175.63 3hhs s PHE 85 N -1.35 2.85 -0.12 4.23 5.36 -1.26 -5.05 117.98 122.64 3hhs s PHE 85 Ca 0.32 -0.41 -0.06 0.00 -0.96 0.00 0.00 56.93 55.82 3hhs s PHE 85 Cb -0.14 -1.81 0.05 0.00 -0.34 0.00 0.00 43.02 40.78 3hhs s PHE 85 CO 0.17 -0.04 0.28 0.45 -1.46 0.00 0.00 175.22 174.62 3hhs s SER 86 N 0.01 -0.22 0.40 6.13 0.15 -1.26 -4.98 113.70 113.93 3hhs s SER 86 Ca -0.03 0.60 0.29 0.00 0.70 0.00 0.00 55.95 57.51 3hhs s SER 86 Cb -0.14 0.52 1.37 0.00 -1.71 0.00 0.00 66.02 66.07 3hhs s SER 86 CO 0.04 -0.18 1.86 -0.07 1.20 0.00 0.00 173.24 176.09 3hhs h LEU 87 N 7.35 0.00 -0.29 3.45 3.38 -1.90 -1.53 115.31 125.77 3hhs h LEU 87 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hhs h LEU 87 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3hhs h LEU 87 CO 0.32 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.34 3hhs n PHE 88 N -2.55 0.31 -3.26 1.13 3.72 -1.26 -4.39 117.46 111.17 3hhs n PHE 88 Ca -0.00 0.13 -0.40 0.00 -0.05 0.00 0.00 57.45 57.12 3hhs n PHE 88 Cb 0.15 -0.70 -0.08 0.00 -0.94 0.00 0.00 39.48 37.91 3hhs n PHE 88 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hhs s LEU 89 N -3.58 4.19 0.35 4.37 1.02 -0.57 -4.86 118.68 119.60 3hhs s LEU 89 Ca 0.05 0.22 0.12 0.00 0.02 0.00 0.00 54.13 54.54 3hhs s LEU 89 Cb 0.09 -2.59 0.92 0.00 0.02 0.00 0.00 46.19 44.63 3hhs s LEU 89 CO 0.30 -0.37 1.79 -0.65 0.02 0.00 0.00 176.35 177.44 3hhs h PRO 90 N 8.26 0.56 -0.24 1.29 0.11 -1.73 -0.60 132.00 139.65 3hhs h PRO 90 Ca -0.29 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 3hhs h PRO 90 Cb 1.14 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3hhs h PRO 90 CO 0.73 0.37 -0.20 0.66 -0.21 0.00 0.00 178.00 179.36 3hhs h SER 91 N 0.58 0.43 -0.22 -2.05 4.64 -1.68 -2.65 113.55 112.60 3hhs h SER 91 Ca 0.56 -0.13 -0.19 0.00 -0.47 0.00 0.00 61.79 61.56 3hhs h SER 91 Cb 1.13 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3hhs h SER 91 CO -0.32 0.64 -0.61 0.45 -0.87 0.00 0.00 176.83 176.13 3hhs h HIS 92 N 0.39 1.06 -0.69 4.77 3.86 -1.37 -2.05 115.15 121.13 3hhs h HIS 92 Ca 0.07 -0.40 0.08 0.00 -1.16 0.00 0.00 60.37 58.95 3hhs h HIS 92 Cb 0.58 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.79 3hhs h HIS 92 CO 0.02 1.22 0.36 0.37 0.86 0.00 0.00 177.93 180.76 3hhs h GLN 93 N 0.62 0.62 -0.83 2.45 5.75 -1.25 -0.61 115.11 121.86 3hhs h GLN 93 Ca -0.00 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3hhs h GLN 93 Cb 1.21 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.59 3hhs h GLN 93 CO 0.13 0.41 0.40 0.93 -2.65 0.00 0.00 178.83 178.05 3hhs h GLU 94 N 0.64 1.20 -0.16 1.69 5.08 -1.36 -1.00 114.58 120.68 3hhs h GLU 94 Ca 0.32 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3hhs h GLU 94 Cb 0.28 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3hhs h GLU 94 CO -0.23 0.93 0.06 0.52 -1.00 0.00 0.00 179.01 179.29 3hhs h MET 95 N 1.19 0.24 -0.43 2.33 2.86 -0.97 -2.36 114.93 117.78 3hhs h MET 95 Ca 0.29 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.92 3hhs h MET 95 Cb 0.12 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 3hhs h MET 95 CO -0.04 0.33 0.19 0.00 1.06 0.00 0.00 176.91 178.45 3hhs h ALA 96 N 0.90 0.53 -0.78 6.32 0.00 -0.92 -1.89 119.26 123.42 3hhs h ALA 96 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hhs h ALA 96 Cb 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hhs h ALA 96 CO -0.00 -0.19 0.52 -0.91 0.00 0.00 0.00 179.25 178.67 3hhs h ASN 97 N 0.38 0.87 -0.08 0.00 2.35 -1.10 -0.68 115.58 117.32 3hhs h ASN 97 Ca 0.19 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3hhs h ASN 97 Cb 0.14 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3hhs h ASN 97 CO -0.16 0.62 0.04 -0.08 -1.65 0.00 0.00 177.43 176.20 3hhs h GLU 98 N 1.02 0.11 -0.15 0.81 4.81 -0.93 -1.46 114.58 118.79 3hhs h GLU 98 Ca 0.30 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.41 3hhs h GLU 98 Cb -0.06 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3hhs h GLU 98 CO -0.07 0.17 -0.29 0.28 -0.73 0.00 0.00 179.01 178.37 3hhs h VAL 99 N 0.02 1.36 -0.59 0.32 2.07 -1.04 -2.57 116.25 115.81 3hhs h VAL 99 Ca 0.03 -1.55 0.08 0.00 0.82 0.00 0.00 66.70 66.08 3hhs h VAL 99 Cb 0.10 1.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 3hhs h VAL 99 CO -0.00 0.46 0.25 0.40 0.02 0.00 0.00 177.57 178.69 3hhs h ILE 100 N 0.09 0.82 -0.87 4.57 2.04 -1.18 -1.70 117.51 121.29 3hhs h ILE 100 Ca 0.01 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3hhs h ILE 100 Cb 0.88 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 3hhs h ILE 100 CO 0.07 0.08 0.55 0.44 0.00 0.00 0.00 178.15 179.28 3hhs h ASP 101 N 0.45 0.88 -0.26 1.72 3.32 -1.14 0.20 116.42 121.59 3hhs h ASP 101 Ca 0.29 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 3hhs h ASP 101 Cb 0.32 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3hhs h ASP 101 CO -0.27 0.58 0.10 0.58 -1.72 0.00 0.00 179.24 178.51 3hhs h VAL 102 N 1.02 1.18 -0.15 -1.35 2.07 -0.97 -1.97 116.25 116.08 3hhs h VAL 102 Ca 0.37 -0.56 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 3hhs h VAL 102 Cb 0.11 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3hhs h VAL 102 CO -0.15 0.19 -0.50 -0.07 0.02 0.00 0.00 177.57 177.06 3hhs h LEU 103 N 0.27 0.44 -0.79 2.57 3.38 -0.84 -2.91 115.31 117.42 3hhs h LEU 103 Ca 0.09 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3hhs h LEU 103 Cb 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3hhs h LEU 103 CO -0.01 0.86 -0.43 0.24 0.09 0.00 0.00 178.44 179.20 3hhs h MET 104 N 0.32 0.00 0.00 1.13 2.86 -0.57 -3.27 114.93 115.40 3hhs h MET 104 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3hhs h MET 104 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.65 3hhs h MET 104 CO 0.09 0.43 0.00 0.77 1.06 0.00 0.00 176.91 179.26 3hhs h SER 105 N 0.00 0.00 -2.63 1.22 0.02 -1.14 -3.46 113.55 107.57 3hhs h SER 105 Ca -0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3hhs h SER 105 Cb 0.99 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.61 3hhs h SER 105 CO 0.06 0.00 0.71 0.52 -1.14 0.00 0.00 176.83 176.97 3hhs n VAL 106 N -2.99 0.66 -1.59 2.27 0.31 -1.23 -4.85 118.33 110.90 3hhs n VAL 106 Ca 0.03 -0.16 -0.54 0.00 -0.01 0.00 0.00 64.34 63.65 3hhs n VAL 106 Cb 0.43 -1.56 -0.06 0.00 -0.91 0.00 0.00 33.84 31.73 3hhs n VAL 106 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3hhs n THR 107 N 2.42 0.03 -1.63 2.52 -1.04 -1.26 -4.86 114.28 110.46 3hhs n THR 107 Ca 0.13 -0.01 -0.53 0.00 -2.04 0.00 0.00 64.05 61.61 3hhs n THR 107 Cb 0.31 -0.72 -0.06 0.00 -1.82 0.00 0.00 70.33 68.04 3hhs n THR 107 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3hhs n GLU 108 N 2.67 1.30 -0.99 -2.82 2.13 -1.26 -1.97 120.64 119.69 3hhs n GLU 108 Ca 0.20 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.49 3hhs n GLU 108 Cb 0.16 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 29.72 3hhs n GLU 108 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hhs n ASN 109 N 3.51 -0.64 -4.03 4.31 5.03 -1.26 -4.95 115.26 117.23 3hhs n ASN 109 Ca 0.20 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.22 3hhs n ASN 109 Cb 0.19 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 3hhs n ASN 109 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hhs n GLN 110 N -2.20 3.74 0.10 3.52 1.13 -0.83 -4.82 117.38 118.01 3hhs n GLN 110 Ca 0.00 -3.85 -0.06 0.00 -1.94 0.00 0.00 57.00 51.16 3hhs n GLN 110 Cb 0.00 -2.84 0.05 0.00 0.11 0.00 0.00 30.24 27.56 3hhs n GLN 110 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3hhs h LEU 111 N 7.65 0.15 -0.66 1.08 3.38 -1.93 -0.16 115.31 124.83 3hhs h LEU 111 Ca 0.33 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3hhs h LEU 111 Cb 0.68 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3hhs h LEU 111 CO 1.46 0.86 0.15 1.56 0.09 0.00 0.00 178.44 182.57 3hhs h GLN 112 N 0.08 1.05 -0.45 1.13 4.20 -1.99 0.43 115.11 119.55 3hhs h GLN 112 Ca -0.02 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 3hhs h GLN 112 Cb 1.35 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 3hhs h GLN 112 CO 0.11 0.95 0.14 1.49 -0.67 0.00 0.00 178.83 180.85 3hhs h GLU 113 N 0.98 0.71 -0.19 1.46 4.81 -1.86 -2.26 114.58 118.22 3hhs h GLU 113 Ca 0.21 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3hhs h GLU 113 Cb 0.37 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3hhs h GLU 113 CO 0.00 0.68 0.08 1.25 -0.73 0.00 0.00 179.01 180.29 3hhs h LEU 114 N 0.60 0.10 -0.55 1.64 5.85 -0.85 -1.42 115.31 120.67 3hhs h LEU 114 Ca 0.15 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3hhs h LEU 114 Cb 0.27 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3hhs h LEU 114 CO -0.00 0.08 0.33 0.25 -0.34 0.00 0.00 178.44 178.76 3hhs h LEU 115 N 0.17 0.53 -1.01 2.25 5.85 -0.85 -0.12 115.31 122.13 3hhs h LEU 115 Ca 0.08 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hhs h LEU 115 Cb 0.04 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3hhs h LEU 115 CO -0.08 0.37 0.36 0.28 -0.34 0.00 0.00 178.44 179.03 3hhs h SER 116 N 0.65 0.96 -0.70 1.25 0.02 -1.24 0.20 113.55 114.68 3hhs h SER 116 Ca 0.22 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3hhs h SER 116 Cb 0.03 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3hhs h SER 116 CO -0.10 0.81 0.22 0.74 -1.14 0.00 0.00 176.83 177.35 3hhs h THR 117 N 1.05 1.26 -0.14 -2.27 2.02 -0.77 -0.88 112.91 113.18 3hhs h THR 117 Ca 0.26 -0.89 -0.22 0.00 0.77 0.00 0.00 66.41 66.33 3hhs h THR 117 Cb 0.10 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3hhs h THR 117 CO -0.03 0.35 -0.78 0.00 0.37 0.00 0.00 175.52 175.43 3hhs h VAL 119 N 0.50 1.00 -0.06 0.00 2.07 -0.52 0.58 116.25 119.83 3hhs h VAL 119 Ca -0.05 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3hhs h VAL 119 Cb 1.40 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3hhs h VAL 119 CO 0.16 0.06 -0.06 0.22 0.02 0.00 0.00 177.57 177.97 3hhs h TYR 120 N 0.35 -0.14 -0.30 1.57 3.20 -1.03 -1.60 116.97 119.02 3hhs h TYR 120 Ca 0.13 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.07 3hhs h TYR 120 Cb 0.03 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 3hhs h TYR 120 CO -0.09 -0.09 -0.07 0.00 -1.64 0.00 0.00 178.16 176.27 3hhs h ALA 121 N 0.97 0.20 -0.74 1.82 0.00 -0.88 -1.74 119.26 118.89 3hhs h ALA 121 Ca 0.04 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3hhs h ALA 121 Cb 0.14 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3hhs h ALA 121 CO -0.10 -0.46 0.44 -0.09 0.00 0.00 0.00 179.25 179.04 3hhs h ARG 122 N 0.00 0.80 -0.22 0.00 2.43 -0.53 -1.49 114.38 115.39 3hhs h ARG 122 Ca 0.14 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 3hhs h ARG 122 Cb 0.22 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3hhs h ARG 122 CO -0.30 0.53 -0.42 0.82 -1.51 0.00 0.00 179.97 179.09 3hhs h ILE 123 N 0.83 1.31 -0.38 1.20 2.04 -0.99 -3.22 117.51 118.30 3hhs h ILE 123 Ca 0.32 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.58 3hhs h ILE 123 Cb 0.13 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3hhs h ILE 123 CO -0.16 0.50 0.00 0.59 0.00 0.00 0.00 178.15 179.08 3hhs n ASN 124 N -4.02 3.48 -4.28 1.72 4.13 -0.68 -4.98 115.26 110.63 3hhs n ASN 124 Ca -0.02 -2.00 -0.16 0.00 1.68 0.00 0.00 54.58 54.08 3hhs n ASN 124 Cb 0.52 -0.24 -0.10 0.00 -1.54 0.00 0.00 39.78 38.42 3hhs n ASN 124 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3hhs s LEU 125 N -1.51 2.52 0.16 3.41 1.43 -0.59 -4.81 118.68 119.28 3hhs s LEU 125 Ca 0.39 -0.98 -0.34 0.00 -1.03 0.00 0.00 54.13 52.17 3hhs s LEU 125 Cb 0.23 -0.50 -0.15 0.00 0.03 0.00 0.00 46.19 45.79 3hhs s LEU 125 CO 0.32 -0.24 1.32 -3.20 0.23 0.00 0.00 176.35 174.78 3hhs n ASN 126 N -0.15 1.93 -0.09 2.29 2.85 -1.26 -4.81 115.26 116.03 3hhs n ASN 126 Ca -0.10 1.13 -0.01 0.00 -0.11 0.00 0.00 54.58 55.48 3hhs n ASN 126 Cb 0.60 -1.28 0.25 0.00 1.24 0.00 0.00 39.78 40.59 3hhs n ASN 126 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3hhs h PRO 127 N 4.22 0.72 -0.17 1.20 0.13 -1.86 0.68 132.00 136.93 3hhs h PRO 127 Ca -0.45 -0.13 -0.12 0.00 -0.87 0.00 0.00 66.00 64.43 3hhs h PRO 127 Cb 1.32 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3hhs h PRO 127 CO 0.76 0.65 -0.37 1.96 -0.23 0.00 0.00 178.00 180.77 3hhs h GLN 128 N 0.70 0.54 -0.11 0.86 4.20 -1.91 -1.38 115.11 118.02 3hhs h GLN 128 Ca 0.16 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.54 3hhs h GLN 128 Cb 0.24 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3hhs h GLN 128 CO -0.00 0.97 -0.08 1.25 -0.67 0.00 0.00 178.83 180.30 3hhs h LEU 129 N 0.19 -0.26 -0.16 1.46 5.85 -1.92 -1.72 115.31 118.74 3hhs h LEU 129 Ca 0.00 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3hhs h LEU 129 Cb 0.97 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 3hhs h LEU 129 CO 0.08 -0.11 -0.13 0.15 -0.34 0.00 0.00 178.44 178.09 3hhs h PHE 130 N -0.09 -0.32 -0.70 1.25 3.57 -0.86 -1.67 116.94 118.12 3hhs h PHE 130 Ca 0.07 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.64 3hhs h PHE 130 Cb 0.20 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 3hhs h PHE 130 CO -0.20 -0.19 0.42 -0.97 -2.23 0.00 0.00 178.31 175.13 3hhs h ASN 131 N -0.14 0.65 0.34 0.41 -0.73 -1.05 -0.13 115.58 114.95 3hhs h ASN 131 Ca 0.10 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 3hhs h ASN 131 Cb 0.29 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.76 3hhs h ASN 131 CO -0.25 0.43 -0.16 0.22 -0.37 0.00 0.00 177.43 177.30 3hhs h TYR 132 N 0.79 -0.43 -0.84 0.67 3.20 -1.17 -2.35 116.97 116.84 3hhs h TYR 132 Ca 0.30 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 3hhs h TYR 132 Cb 0.12 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3hhs h TYR 132 CO -0.06 -0.15 0.41 0.00 -1.64 0.00 0.00 178.16 176.72 3hhs h TYR 134 N 1.19 0.62 -0.81 0.00 3.20 -1.07 -1.55 116.97 118.55 3hhs h TYR 134 Ca 0.29 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 3hhs h TYR 134 Cb 0.11 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 3hhs h TYR 134 CO 0.01 0.53 0.38 1.15 -1.64 0.00 0.00 178.16 178.59 3hhs h THR 135 N 0.53 1.25 -0.40 1.81 2.02 -1.05 0.28 112.91 117.35 3hhs h THR 135 Ca 0.14 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.51 3hhs h THR 135 Cb 0.16 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3hhs h THR 135 CO -0.01 0.31 -0.09 0.58 0.37 0.00 0.00 175.52 176.67 3hhs h VAL 136 N 1.14 1.28 -0.19 3.16 2.07 -1.03 -0.28 116.25 122.40 3hhs h VAL 136 Ca 0.28 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3hhs h VAL 136 Cb 0.13 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3hhs h VAL 136 CO -0.03 0.40 0.07 0.00 0.02 0.00 0.00 177.57 178.03 3hhs h ALA 137 N 0.84 0.25 -0.65 1.67 0.00 -0.93 -1.70 119.26 118.75 3hhs h ALA 137 Ca 0.10 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hhs h ALA 137 Cb 0.62 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3hhs h ALA 137 CO 0.04 -0.16 0.37 0.82 0.00 0.00 0.00 179.25 180.33 3hhs h ILE 138 N 0.15 1.01 -0.10 0.00 2.04 -0.73 0.15 117.51 120.03 3hhs h ILE 138 Ca 0.06 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 3hhs h ILE 138 Cb 0.18 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3hhs h ILE 138 CO -0.00 0.13 -0.16 0.24 0.00 0.00 0.00 178.15 178.36 3hhs h MET 139 N 0.71 0.16 0.00 2.37 2.86 -0.87 -3.34 114.93 116.82 3hhs h MET 139 Ca 0.28 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3hhs h MET 139 Cb 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3hhs h MET 139 CO -0.15 0.33 -1.43 0.72 1.06 0.00 0.00 176.91 177.43 3hhs n HIS 140 N -4.28 0.00 -1.81 -0.22 8.25 -0.65 -4.98 115.22 111.54 3hhs n HIS 140 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 3hhs n HIS 140 Cb 0.27 -0.26 0.04 0.00 1.12 0.00 0.00 29.99 31.16 3hhs n HIS 140 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hhs s ARG 141 N -2.86 2.96 0.00 -0.41 0.52 -0.02 -4.98 118.95 114.16 3hhs s ARG 141 Ca -0.03 1.26 0.26 0.00 -0.52 0.00 0.00 55.73 56.71 3hhs s ARG 141 Cb 0.10 -1.98 0.76 0.00 0.52 0.00 0.00 34.95 34.34 3hhs s ARG 141 CO 0.61 -1.11 1.58 0.54 0.02 0.00 0.00 175.30 176.94 3hhs n ARG 142 N -2.43 0.33 0.00 3.54 5.12 -1.26 -4.17 116.66 117.80 3hhs n ARG 142 Ca 0.09 -0.17 0.07 0.00 -1.93 0.00 0.00 57.85 55.91 3hhs n ARG 142 Cb 0.53 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 3hhs n ARG 142 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3hhs n ASP 143 N -1.18 1.26 -1.50 0.55 5.68 -1.26 -4.50 116.55 115.60 3hhs n ASP 143 Ca 0.09 -1.13 0.08 0.00 -0.50 0.00 0.00 54.79 53.33 3hhs n ASP 143 Cb 0.33 0.64 0.34 0.00 -1.14 0.00 0.00 41.12 41.30 3hhs n ASP 143 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hhs n THR 144 N -0.54 2.29 -0.07 2.12 -2.24 -1.26 -4.58 114.28 109.99 3hhs n THR 144 Ca 0.05 -1.44 0.18 0.00 -2.27 0.00 0.00 64.05 60.57 3hhs n THR 144 Cb 0.29 -0.11 0.60 0.00 -2.10 0.00 0.00 70.33 69.01 3hhs n THR 144 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hhs h GLY 145 N 3.39 0.32 0.40 3.38 0.00 -1.81 -1.65 103.07 107.10 3hhs h GLY 145 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3hhs h GLY 145 CO 0.33 0.03 -0.16 0.28 0.00 0.00 0.00 176.54 177.01 3hhs n LYS 146 N -4.42 0.90 -2.77 4.80 5.02 -1.26 -4.85 118.16 115.57 3hhs n LYS 146 Ca 0.12 -0.45 -0.42 0.00 -2.02 0.00 0.00 58.31 55.54 3hhs n LYS 146 Cb 0.56 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 3hhs n LYS 146 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hhs s VAL 147 N -2.41 4.82 -0.35 -0.18 1.01 -0.62 -5.00 120.40 117.67 3hhs s VAL 147 Ca 0.28 1.87 -0.26 0.00 0.00 0.00 0.00 61.98 63.87 3hhs s VAL 147 Cb 0.20 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.35 3hhs s VAL 147 CO 0.48 0.01 0.95 -0.13 0.00 0.00 0.00 175.10 176.41 3hhs s ARG 148 N 2.09 3.92 0.08 2.72 0.52 -1.26 -5.02 118.95 122.00 3hhs s ARG 148 Ca 0.44 0.72 -0.31 0.00 -0.52 0.00 0.00 55.73 56.07 3hhs s ARG 148 Cb -0.17 -3.77 -0.09 0.00 0.52 0.00 0.00 34.95 31.43 3hhs s ARG 148 CO 0.15 -0.90 1.78 0.08 0.02 0.00 0.00 175.30 176.43 3hhs s VAL 149 N 3.46 2.88 0.36 3.52 1.01 -1.26 -4.81 120.40 125.57 3hhs s VAL 149 Ca 0.39 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 62.35 3hhs s VAL 149 Cb -0.12 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 3hhs s VAL 149 CO 0.17 -0.01 1.22 -1.10 0.00 0.00 0.00 175.10 175.38 3hhs s GLN 150 N 3.11 4.21 -0.09 2.72 -1.52 -1.26 -4.90 119.66 121.93 3hhs s GLN 150 Ca 0.79 1.99 -0.38 0.00 -1.95 0.00 0.00 55.36 55.81 3hhs s GLN 150 Cb -0.42 -2.87 -0.16 0.00 -0.22 0.00 0.00 33.01 29.34 3hhs s GLN 150 CO 0.35 -0.23 1.58 -1.71 -0.25 0.00 0.00 175.29 175.03 3hhs n ASN 151 N 0.44 2.21 0.16 5.90 2.85 -1.26 -4.85 115.26 120.72 3hhs n ASN 151 Ca 0.02 1.09 0.02 0.00 -0.11 0.00 0.00 54.58 55.59 3hhs n ASN 151 Cb 0.44 -1.20 0.34 0.00 1.24 0.00 0.00 39.78 40.61 3hhs n ASN 151 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 3hhs h TYR 152 N 6.20 0.07 0.00 1.20 3.20 -1.92 -2.17 116.97 123.55 3hhs h TYR 152 Ca -0.47 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.28 3hhs h TYR 152 Cb 1.32 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 3hhs h TYR 152 CO 0.70 0.41 -0.52 0.00 -1.64 0.00 0.00 178.16 177.11 3hhs h ALA 153 N 1.60 1.01 -0.07 1.82 0.00 -1.89 -1.14 119.26 120.59 3hhs h ALA 153 Ca 0.01 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 3hhs h ALA 153 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hhs h ALA 153 CO 0.05 0.65 -0.60 0.93 0.00 0.00 0.00 179.25 180.27 3hhs h GLU 154 N 0.00 0.25 0.14 0.00 5.08 -1.63 -2.91 114.58 115.52 3hhs h GLU 154 Ca -0.01 -0.17 -0.29 0.00 -1.00 0.00 0.00 59.36 57.89 3hhs h GLU 154 Cb 1.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3hhs h GLU 154 CO 0.07 0.78 -1.43 0.82 -1.00 0.00 0.00 179.01 178.24 3hhs h ILE 155 N 0.19 1.07 -2.20 3.13 1.08 -1.34 -1.79 117.51 117.65 3hhs h ILE 155 Ca -0.01 -2.45 -0.58 0.00 -0.39 0.00 0.00 64.86 61.43 3hhs h ILE 155 Cb 1.10 2.79 -0.42 0.00 -3.07 0.00 0.00 36.82 37.23 3hhs h ILE 155 CO 0.09 0.75 -0.72 0.49 -0.69 0.00 0.00 178.15 178.07 3hhs n PHE 156 N -3.86 3.16 0.27 1.37 3.72 -0.44 -4.29 117.46 117.40 3hhs n PHE 156 Ca -0.23 -4.00 0.15 0.00 -0.05 0.00 0.00 57.45 53.31 3hhs n PHE 156 Cb 0.94 -0.50 0.71 0.00 -0.94 0.00 0.00 39.48 39.70 3hhs n PHE 156 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hhs h PRO 157 N 3.51 0.00 0.00 -1.08 0.13 -1.72 -2.15 132.00 130.70 3hhs h PRO 157 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 3hhs h PRO 157 Cb 0.64 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 3hhs h PRO 157 CO 0.77 0.08 -0.03 0.00 -0.23 0.00 0.00 178.00 178.59 3hhs h ALA 158 N 1.92 1.29 0.00 -0.56 0.00 -1.87 -0.73 119.26 119.30 3hhs h ALA 158 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hhs h ALA 158 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hhs h ALA 158 CO 0.01 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.93 3hhs n LYS 159 N -3.53 0.31 0.00 0.00 5.02 -0.81 -4.08 118.16 115.07 3hhs n LYS 159 Ca -0.03 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3hhs n LYS 159 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3hhs n LYS 159 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hhs n PHE 160 N -1.29 0.00 -4.44 2.13 3.72 -0.36 -4.71 117.46 112.51 3hhs n PHE 160 Ca 0.11 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.26 3hhs n PHE 160 Cb 0.18 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.63 3hhs n PHE 160 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hhs s LEU 161 N -1.20 2.79 -0.43 4.37 1.02 -0.74 -4.94 118.68 119.56 3hhs s LEU 161 Ca 0.00 -1.03 -0.41 0.00 0.02 0.00 0.00 54.13 52.71 3hhs s LEU 161 Cb 0.00 -1.20 -0.16 0.00 0.02 0.00 0.00 46.19 44.84 3hhs s LEU 161 CO 0.00 -0.10 2.05 -0.67 0.02 0.00 0.00 176.35 177.64 3hhs n ASP 162 N -0.78 1.42 -0.39 2.29 2.03 -1.26 -4.71 116.55 115.14 3hhs n ASP 162 Ca -0.05 0.71 0.33 0.00 0.52 0.00 0.00 54.79 56.30 3hhs n ASP 162 Cb 0.61 -1.03 0.64 0.00 -0.72 0.00 0.00 41.12 40.62 3hhs n ASP 162 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3hhs h SER 163 N 9.33 0.24 0.26 1.67 4.64 -1.62 -0.46 113.55 127.62 3hhs h SER 163 Ca -0.23 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3hhs h SER 163 Cb 1.37 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3hhs h SER 163 CO 1.04 -0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.97 3hhs n GLN 164 N -4.49 0.07 0.22 4.77 6.02 -1.26 -2.04 117.38 120.67 3hhs n GLN 164 Ca 0.31 0.26 0.10 0.00 -0.01 0.00 0.00 57.00 57.67 3hhs n GLN 164 Cb 1.24 -1.50 0.38 0.00 1.02 0.00 0.00 30.24 31.38 3hhs n GLN 164 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 3hhs h VAL 165 N 0.00 0.40 0.14 5.09 3.04 -1.49 -3.38 116.25 120.05 3hhs h VAL 165 Ca 0.00 -1.17 -0.30 0.00 -1.01 0.00 0.00 66.70 64.23 3hhs h VAL 165 Cb 0.13 1.87 0.03 0.00 -2.01 0.00 0.00 31.29 31.30 3hhs h VAL 165 CO 0.00 0.19 -1.27 -0.26 -1.01 0.00 0.00 177.57 175.22 3hhs h PHE 166 N 0.00 0.89 -0.59 3.17 0.04 -1.62 0.12 116.94 118.95 3hhs h PHE 166 Ca -0.00 -0.58 -0.08 0.00 2.80 0.00 0.00 57.97 60.10 3hhs h PHE 166 Cb 0.85 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 3hhs h PHE 166 CO 0.00 1.43 0.05 1.15 -0.60 0.00 0.00 178.31 180.34 3hhs h THR 167 N 0.21 1.26 -0.73 -1.55 2.02 -1.79 -0.71 112.91 111.63 3hhs h THR 167 Ca -0.18 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 65.92 3hhs h THR 167 Cb 1.95 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 3hhs h THR 167 CO 0.23 0.38 0.35 1.56 0.37 0.00 0.00 175.52 178.42 3hhs h GLN 168 N 0.92 1.05 -0.40 6.66 4.20 -1.71 -0.78 115.11 125.05 3hhs h GLN 168 Ca 0.18 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hhs h GLN 168 Cb 0.47 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3hhs h GLN 168 CO 0.02 0.82 0.26 0.00 -0.67 0.00 0.00 178.83 179.26 3hhs h ALA 169 N 1.17 0.51 -0.82 3.87 0.00 -0.32 -1.31 119.26 122.36 3hhs h ALA 169 Ca 0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3hhs h ALA 169 Cb 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3hhs h ALA 169 CO -0.03 -0.02 0.41 0.00 0.00 0.00 0.00 179.25 179.61 3hhs h ARG 170 N 0.54 1.18 -0.13 0.00 3.08 -0.93 -1.43 114.38 116.69 3hhs h ARG 170 Ca 0.15 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hhs h ARG 170 Cb -0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3hhs h ARG 170 CO -0.03 0.90 0.08 1.49 -1.07 0.00 0.00 179.97 181.34 3hhs h GLU 171 N 1.17 0.17 -0.46 0.04 4.81 -1.02 -2.25 114.58 117.04 3hhs h GLU 171 Ca 0.28 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3hhs h GLU 171 Cb 0.10 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3hhs h GLU 171 CO -0.04 0.13 0.24 0.00 -0.73 0.00 0.00 179.01 178.62 3hhs h ALA 172 N 1.03 0.58 -0.13 2.92 0.00 -0.89 0.57 119.26 123.34 3hhs h ALA 172 Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3hhs h ALA 172 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hhs h ALA 172 CO -0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 179.25 178.92 3hhs h ALA 173 N 1.24 1.40 0.15 0.00 0.00 -1.26 -1.70 119.26 119.09 3hhs h ALA 173 Ca 0.20 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 3hhs h ALA 173 Cb 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hhs h ALA 173 CO -0.13 0.42 -1.47 0.00 0.00 0.00 0.00 179.25 178.07 3hhs h ALA 174 N 1.58 0.13 0.10 0.00 0.00 -1.07 -3.39 119.26 116.61 3hhs h ALA 174 Ca 0.03 -1.01 -0.27 0.00 0.00 0.00 0.00 54.91 53.67 3hhs h ALA 174 Cb 0.51 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hhs h ALA 174 CO 0.03 1.00 -1.40 0.28 0.00 0.00 0.00 179.25 179.16 3hhs h VAL 175 N 0.09 1.02 -3.56 0.00 2.07 -0.88 -3.45 116.25 111.54 3hhs h VAL 175 Ca -0.23 -2.38 -0.62 0.00 0.82 0.00 0.00 66.70 64.30 3hhs h VAL 175 Cb 2.04 2.68 -0.14 0.00 -1.52 0.00 0.00 31.29 34.36 3hhs h VAL 175 CO 0.20 0.68 -0.44 -0.63 0.02 0.00 0.00 177.57 177.40 3hhs s ILE 176 N -2.47 5.33 0.74 4.57 1.01 -0.64 -5.06 121.20 124.67 3hhs s ILE 176 Ca -0.21 0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.59 3hhs s ILE 176 Cb 0.04 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 39.01 3hhs s ILE 176 CO 0.75 0.33 1.22 -2.84 0.00 0.00 0.00 174.94 174.40 3hhs s PRO 177 N 1.10 2.07 0.55 2.79 0.02 -1.26 -4.67 135.00 135.60 3hhs s PRO 177 Ca 0.10 1.81 0.36 0.00 0.02 0.00 0.00 61.00 63.29 3hhs s PRO 177 Cb -0.14 -1.82 1.78 0.00 0.02 0.00 0.00 34.50 34.35 3hhs s PRO 177 CO 0.05 -1.90 2.09 1.57 -0.33 0.00 0.00 177.00 178.48 3hhs h LYS 178 N -0.32 0.00 0.00 5.54 2.10 -1.88 -1.86 116.57 120.15 3hhs h LYS 178 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3hhs h LYS 178 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3hhs h LYS 178 CO 0.49 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.19 3hhs n THR 179 N -2.91 0.07 -4.96 0.07 -2.24 -1.26 -4.77 114.28 98.28 3hhs n THR 179 Ca -0.01 0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 3hhs n THR 179 Cb 0.16 -0.54 -0.17 0.00 -2.10 0.00 0.00 70.33 67.69 3hhs n THR 179 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hhs s ILE 180 N -2.83 1.93 0.29 2.28 1.01 -0.70 -5.10 121.20 118.07 3hhs s ILE 180 Ca 0.19 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 3hhs s ILE 180 Cb 0.19 -1.69 -0.12 0.00 0.01 0.00 0.00 42.46 40.85 3hhs s ILE 180 CO 0.48 0.53 1.45 -2.65 0.00 0.00 0.00 174.94 174.75 3hhs n PRO 181 N 3.74 2.33 -3.46 2.79 -0.02 -1.26 -4.72 135.00 134.40 3hhs n PRO 181 Ca -0.20 0.83 -0.38 0.00 -2.02 0.00 0.00 63.50 61.73 3hhs n PRO 181 Cb 0.52 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 3hhs n PRO 181 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hhs s ARG 182 N -0.91 3.97 0.24 -0.52 3.00 -1.26 -5.06 118.95 118.42 3hhs s ARG 182 Ca 0.63 0.47 -0.30 0.00 0.00 0.00 0.00 55.73 56.53 3hhs s ARG 182 Cb -0.57 -3.23 -0.10 0.00 0.00 0.00 0.00 34.95 31.06 3hhs s ARG 182 CO 0.53 0.68 1.41 0.99 0.00 0.00 0.00 175.30 178.91 3hhs s THR 183 N -1.07 2.76 0.36 0.02 2.01 -1.26 -4.74 115.64 113.72 3hhs s THR 183 Ca 0.25 0.64 -0.27 0.00 0.31 0.00 0.00 61.69 62.62 3hhs s THR 183 Cb -0.17 -3.41 -0.12 0.00 0.01 0.00 0.00 72.50 68.81 3hhs s THR 183 CO 0.14 0.10 1.19 -2.65 -0.69 0.00 0.00 174.62 172.72 3hhs n PRO 184 N 2.29 1.83 -2.75 4.92 -0.02 -1.26 -4.73 135.00 135.28 3hhs n PRO 184 Ca 0.06 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 3hhs n PRO 184 Cb 0.41 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3hhs n PRO 184 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hhs s ILE 185 N -1.14 4.79 -0.12 4.25 1.01 0.58 -4.84 121.20 125.73 3hhs s ILE 185 Ca 0.58 1.88 -0.26 0.00 0.00 0.00 0.00 60.65 62.86 3hhs s ILE 185 Cb -0.58 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 37.63 3hhs s ILE 185 CO 0.60 -0.05 0.85 -0.63 0.00 0.00 0.00 174.94 175.71 3hhs s ILE 186 N 2.46 4.90 -0.25 2.92 -1.09 -1.26 -0.02 121.20 128.86 3hhs s ILE 186 Ca 0.43 1.71 -0.20 0.00 -2.23 0.00 0.00 60.65 60.35 3hhs s ILE 186 Cb -0.17 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.53 3hhs s ILE 186 CO 0.12 0.09 0.63 -0.63 -1.23 0.00 0.00 174.94 173.92 3hhs s ILE 187 N 1.69 4.98 0.53 2.92 -1.09 -0.19 -4.91 121.20 125.13 3hhs s ILE 187 Ca 0.41 1.13 -0.22 0.00 -2.23 0.00 0.00 60.65 59.74 3hhs s ILE 187 Cb -0.18 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 3hhs s ILE 187 CO 0.16 0.02 1.37 -2.84 -1.23 0.00 0.00 174.94 172.43 3hhs s PRO 188 N 2.51 3.22 0.20 2.79 0.02 -1.26 -4.55 135.00 137.93 3hhs s PRO 188 Ca 0.26 2.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.44 3hhs s PRO 188 Cb -0.15 -2.32 0.23 0.00 0.02 0.00 0.00 34.50 32.28 3hhs s PRO 188 CO 0.08 -1.14 1.77 0.00 -0.33 0.00 0.00 177.00 177.38 3hhs h ARG 189 N 1.58 0.46 -3.88 5.54 3.08 -1.96 -3.36 114.38 115.84 3hhs h ARG 189 Ca -0.51 -0.03 -0.74 0.00 0.07 0.00 0.00 59.98 58.78 3hhs h ARG 189 Cb 1.30 -0.10 -0.30 0.00 0.08 0.00 0.00 29.97 30.94 3hhs h ARG 189 CO 0.58 0.31 -0.22 -0.51 -1.07 0.00 0.00 179.97 179.06 3hhs s ASP 190 N -5.45 5.89 -0.02 7.04 1.01 -1.26 -4.81 116.67 119.07 3hhs s ASP 190 Ca -0.13 -2.51 0.03 0.00 0.71 0.00 0.00 52.55 50.66 3hhs s ASP 190 Cb 0.16 -2.02 -0.05 0.00 1.01 0.00 0.00 42.92 42.02 3hhs s ASP 190 CO 0.74 -0.54 0.03 0.00 0.21 0.00 0.00 175.17 175.62 3hhs n TYR 191 N 4.10 0.00 0.16 4.23 0.18 -1.26 -4.74 117.16 119.83 3hhs n TYR 191 Ca 0.05 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.91 3hhs n TYR 191 Cb 0.42 -0.14 0.07 0.00 -0.38 0.00 0.00 39.34 39.31 3hhs n TYR 191 CO 0.00 0.00 0.00 1.79 -2.08 0.00 0.00 176.86 176.57 3hhs h THR 192 N 0.00 0.29 -2.19 -3.48 1.35 -1.87 -3.48 112.91 103.53 3hhs h THR 192 Ca -0.06 -1.43 0.23 0.00 -0.55 0.00 0.00 66.41 64.60 3hhs h THR 192 Cb 0.85 2.02 -0.07 0.00 -1.73 0.00 0.00 68.15 69.23 3hhs h THR 192 CO 0.00 0.16 0.68 0.00 -0.25 0.00 0.00 175.52 176.11 3hhs s ALA 193 N -3.14 -1.91 0.49 6.62 0.00 -1.26 -4.64 121.76 117.92 3hhs s ALA 193 Ca 0.04 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.09 3hhs s ALA 193 Cb 0.07 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 3hhs s ALA 193 CO 0.73 -1.07 0.23 0.95 0.00 0.00 0.00 175.76 176.59 3hhs s THR 194 N -2.42 1.78 -1.71 0.00 -4.23 -1.26 -4.65 115.64 103.14 3hhs s THR 194 Ca 0.20 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 3hhs s THR 194 Cb -0.00 -2.46 0.08 0.00 1.34 0.00 0.00 72.50 71.46 3hhs s THR 194 CO 0.02 0.00 0.82 0.47 -0.54 0.00 0.00 174.62 175.39 3hhs n ASP 195 N -1.46 0.00 0.02 3.99 8.00 -1.26 -1.15 116.55 124.69 3hhs n ASP 195 Ca -0.06 0.06 0.20 0.00 0.71 0.00 0.00 54.79 55.71 3hhs n ASP 195 Cb 0.65 -0.15 0.71 0.00 -0.02 0.00 0.00 41.12 42.31 3hhs n ASP 195 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hhs h LEU 196 N 0.00 0.00 -8.65 0.64 3.38 -2.01 -3.36 115.31 105.30 3hhs h LEU 196 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 3hhs h LEU 196 Cb 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.61 3hhs h LEU 196 CO 0.00 0.00 -0.02 -0.70 0.09 0.00 0.00 178.44 177.81 3hhs s GLU 197 N -4.94 3.38 0.34 1.13 2.56 -0.30 -4.98 118.70 115.89 3hhs s GLU 197 Ca -0.05 -0.37 0.05 0.00 0.00 0.00 0.00 54.97 54.60 3hhs s GLU 197 Cb 0.19 -3.89 0.69 0.00 2.00 0.00 0.00 34.13 33.11 3hhs s GLU 197 CO 0.70 -0.82 1.92 1.05 -0.56 0.00 0.00 175.26 177.56 3hhs h GLU 198 N 8.67 0.81 0.00 4.30 4.11 -1.85 -0.40 114.58 130.22 3hhs h GLU 198 Ca -0.27 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.12 3hhs h GLU 198 Cb 1.11 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3hhs h GLU 198 CO 0.82 0.53 0.00 0.93 0.07 0.00 0.00 179.01 181.36 3hhs h GLU 199 N 0.83 0.00 0.00 1.06 4.39 -1.93 -2.22 114.58 116.71 3hhs h GLU 199 Ca 0.36 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 3hhs h GLU 199 Cb 0.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3hhs h GLU 199 CO -0.14 0.00 -0.11 1.25 -1.16 0.00 0.00 179.01 178.85 3hhs h HIS 200 N 0.00 0.00 -0.55 4.33 2.76 -1.33 -2.68 115.15 117.68 3hhs h HIS 200 Ca 0.00 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.32 3hhs h HIS 200 Cb 0.16 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 3hhs h HIS 200 CO 0.00 0.11 0.39 0.00 -1.30 0.00 0.00 177.93 177.13 3hhs h ARG 201 N 0.00 0.04 -0.04 5.26 3.08 -1.55 -0.41 114.38 120.76 3hhs h ARG 201 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hhs h ARG 201 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hhs h ARG 201 CO 0.01 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.22 3hhs n LEU 202 N -4.39 1.29 -0.30 3.04 4.32 -1.01 -4.53 117.00 115.42 3hhs n LEU 202 Ca 0.10 -0.45 0.04 0.00 -0.02 0.00 0.00 56.01 55.68 3hhs n LEU 202 Cb 0.60 -0.02 0.19 0.00 -1.62 0.00 0.00 43.42 42.56 3hhs n LEU 202 CO 0.37 0.23 1.14 0.00 -1.22 0.00 0.00 177.39 177.90 3hhs h ALA 203 N 4.23 1.23 -1.00 -1.18 0.00 -1.21 -1.33 119.26 120.00 3hhs h ALA 203 Ca 0.00 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.20 3hhs h ALA 203 Cb 0.42 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3hhs h ALA 203 CO 0.00 0.07 0.66 0.10 0.00 0.00 0.00 179.25 180.07 3hhs h TYR 204 N 0.77 0.57 0.00 0.00 -0.00 -1.80 -1.16 116.97 115.35 3hhs h TYR 204 Ca 0.42 0.02 -0.09 0.00 0.00 0.00 0.00 58.73 59.08 3hhs h TYR 204 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 36.73 36.99 3hhs h TYR 204 CO -0.06 0.09 -0.71 2.35 -0.00 0.00 0.00 178.16 179.82 3hhs h TRP 205 N 0.37 0.00 -0.96 0.10 7.01 -1.62 -3.28 115.95 117.56 3hhs h TRP 205 Ca 0.55 0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.68 3hhs h TRP 205 Cb 1.44 0.00 -0.09 0.00 -2.10 0.00 0.00 29.16 28.41 3hhs h TRP 205 CO -0.00 0.64 0.59 0.00 -2.79 0.00 0.00 178.44 176.87 3hhs h ARG 206 N -1.00 0.86 -0.35 2.65 3.08 -1.26 -2.37 114.38 115.98 3hhs h ARG 206 Ca -0.13 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3hhs h ARG 206 Cb 0.80 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3hhs h ARG 206 CO -0.08 0.57 0.00 0.39 -1.07 0.00 0.00 179.97 179.78 3hhs n GLU 207 N -4.69 2.26 -1.72 0.04 1.02 -0.44 -3.15 120.64 113.96 3hhs n GLU 207 Ca 0.19 -1.91 -0.42 0.00 -0.02 0.00 0.00 57.16 54.99 3hhs n GLU 207 Cb 0.39 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 3hhs n GLU 207 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3hhs n ASP 208 N 1.11 3.89 -0.22 1.62 2.03 -0.89 -4.89 116.55 119.20 3hhs n ASP 208 Ca 0.18 1.08 -0.08 0.00 0.52 0.00 0.00 54.79 56.49 3hhs n ASP 208 Cb 0.51 -1.57 0.03 0.00 -0.72 0.00 0.00 41.12 39.37 3hhs n ASP 208 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3hhs h LEU 209 N 6.27 0.96 -0.64 -2.67 4.07 -1.91 -1.40 115.31 119.98 3hhs h LEU 209 Ca -0.44 -0.25 -0.03 0.00 0.08 0.00 0.00 57.88 57.24 3hhs h LEU 209 Cb 1.21 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.67 3hhs h LEU 209 CO 0.92 0.96 0.28 1.23 -1.08 0.00 0.00 178.44 180.75 3hhs h GLY 210 N 0.92 1.02 0.98 0.83 0.00 -1.97 -0.37 103.07 104.48 3hhs h GLY 210 Ca 0.19 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 3hhs h GLY 210 CO 0.01 0.50 -0.17 -2.22 0.00 0.00 0.00 176.54 174.66 3hhs h ILE 211 N 0.90 1.28 -0.29 2.60 2.04 -1.88 -1.66 117.51 120.49 3hhs h ILE 211 Ca 0.22 -1.28 -0.14 0.00 1.00 0.00 0.00 64.86 64.66 3hhs h ILE 211 Cb 0.17 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3hhs h ILE 211 CO -0.02 0.42 -0.37 0.78 0.00 0.00 0.00 178.15 178.96 3hhs h ASN 212 N 0.53 0.71 -0.22 1.72 2.35 -1.12 -1.44 115.58 118.11 3hhs h ASN 212 Ca 0.08 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3hhs h ASN 212 Cb 0.71 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3hhs h ASN 212 CO 0.05 1.01 0.13 -0.07 -1.65 0.00 0.00 177.43 176.90 3hhs h LEU 213 N 0.56 0.22 -0.47 1.61 3.38 -1.09 -1.37 115.31 118.14 3hhs h LEU 213 Ca 0.05 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3hhs h LEU 213 Cb 0.89 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 3hhs h LEU 213 CO 0.08 0.16 0.11 -0.74 0.09 0.00 0.00 178.44 178.14 3hhs h HIS 214 N 0.28 0.18 -0.31 1.13 2.76 -1.06 -1.11 115.15 117.01 3hhs h HIS 214 Ca 0.08 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3hhs h HIS 214 Cb -0.01 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 3hhs h HIS 214 CO -0.07 0.02 0.16 1.25 -1.30 0.00 0.00 177.93 177.99 3hhs h HIS 215 N 0.25 0.43 -0.21 5.26 -0.00 -1.00 0.23 115.15 120.11 3hhs h HIS 215 Ca 0.23 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.64 3hhs h HIS 215 Cb 0.29 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.52 3hhs h HIS 215 CO -0.21 0.36 -0.08 2.35 -0.00 0.00 0.00 177.93 180.35 3hhs h TRP 216 N 0.38 -0.20 -0.36 5.26 7.01 -1.02 -2.85 115.95 124.17 3hhs h TRP 216 Ca 0.11 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.05 3hhs h TRP 216 Cb 0.08 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3hhs h TRP 216 CO -0.03 -0.14 -0.11 0.45 -2.79 0.00 0.00 178.44 175.83 3hhs h HIS 217 N -0.05 0.67 -0.07 2.65 3.86 -0.73 -2.31 115.15 119.17 3hhs h HIS 217 Ca 0.11 -0.11 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3hhs h HIS 217 Cb 0.22 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 3hhs h HIS 217 CO -0.25 0.70 -0.10 2.35 0.86 0.00 0.00 177.93 181.49 3hhs h TRP 218 N 0.57 -0.24 -0.02 2.45 7.01 -0.85 -1.32 115.95 123.54 3hhs h TRP 218 Ca 0.10 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.06 3hhs h TRP 218 Cb 0.52 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 3hhs h TRP 218 CO 0.02 -0.15 -0.27 0.45 -2.79 0.00 0.00 178.44 175.70 3hhs h HIS 219 N -0.13 0.04 -0.61 2.65 3.86 -1.36 0.02 115.15 119.62 3hhs h HIS 219 Ca 0.06 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3hhs h HIS 219 Cb 0.22 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 3hhs h HIS 219 CO -0.20 0.31 0.31 1.25 0.86 0.00 0.00 177.93 180.46 3hhs h LEU 220 N 0.03 0.79 -0.27 2.43 5.85 -1.17 -2.47 115.31 120.51 3hhs h LEU 220 Ca 0.00 -0.12 -0.21 0.00 0.84 0.00 0.00 57.88 58.40 3hhs h LEU 220 Cb 0.50 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3hhs h LEU 220 CO 0.04 0.68 -0.84 0.58 -0.34 0.00 0.00 178.44 178.56 3hhs h VAL 221 N 0.84 1.38 -2.28 1.05 2.07 -0.68 -3.38 116.25 115.25 3hhs h VAL 221 Ca 0.21 -2.27 -0.60 0.00 0.82 0.00 0.00 66.70 64.86 3hhs h VAL 221 Cb 0.09 2.25 -0.41 0.00 -1.52 0.00 0.00 31.29 31.70 3hhs h VAL 221 CO -0.03 0.68 -0.54 -1.22 0.02 0.00 0.00 177.57 176.49 3hhs n TYR 222 N -3.80 3.94 -1.79 1.57 4.01 -0.06 -4.98 117.16 116.05 3hhs n TYR 222 Ca -0.06 -3.93 -0.35 0.00 -0.16 0.00 0.00 57.90 53.40 3hhs n TYR 222 Cb 0.77 -0.54 0.05 0.00 -0.31 0.00 0.00 39.34 39.31 3hhs n TYR 222 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3hhs s PRO 223 N -3.41 2.70 0.26 -0.72 0.04 -0.94 -4.75 135.00 128.20 3hhs s PRO 223 Ca 0.47 1.69 0.23 0.00 0.04 0.00 0.00 61.00 63.44 3hhs s PRO 223 Cb 0.26 -1.91 0.22 0.00 0.04 0.00 0.00 34.50 33.11 3hhs s PRO 223 CO -0.12 -1.38 1.31 0.27 0.04 0.00 0.00 177.00 177.12 3hhs h PHE 224 N 0.35 0.00 -3.91 0.56 -5.15 -1.90 -3.43 116.94 103.46 3hhs h PHE 224 Ca -0.49 0.00 -0.27 0.00 -0.20 0.00 0.00 57.97 57.02 3hhs h PHE 224 Cb 1.28 0.00 -0.19 0.00 0.22 0.00 0.00 35.95 37.26 3hhs h PHE 224 CO 0.49 0.00 -0.72 0.45 -2.00 0.00 0.00 178.31 176.52 3hhs s SER 225 N -5.38 1.01 -0.01 -0.68 0.15 -1.26 -1.29 113.70 106.25 3hhs s SER 225 Ca 0.04 -0.70 -0.29 0.00 0.70 0.00 0.00 55.95 55.69 3hhs s SER 225 Cb 0.09 0.05 0.10 0.00 -1.71 0.00 0.00 66.02 64.55 3hhs s SER 225 CO 0.73 -0.28 0.95 0.00 1.20 0.00 0.00 173.24 175.84 3hhs s ALA 226 N -2.10 -1.85 0.10 5.45 0.00 -1.26 -4.89 121.76 117.20 3hhs s ALA 226 Ca -0.02 0.98 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 3hhs s ALA 226 Cb -0.05 0.37 -0.17 0.00 0.00 0.00 0.00 23.12 23.27 3hhs s ALA 226 CO -0.01 -0.72 1.28 0.77 0.00 0.00 0.00 175.76 177.08 3hhs h SER 227 N 2.00 0.94 -2.59 0.00 0.02 -1.98 -3.41 113.55 108.54 3hhs h SER 227 Ca -0.21 -0.65 -0.56 0.00 -0.84 0.00 0.00 61.79 59.53 3hhs h SER 227 Cb 1.23 -0.28 -0.10 0.00 0.14 0.00 0.00 62.40 63.39 3hhs h SER 227 CO 0.29 1.44 0.91 -0.62 -1.14 0.00 0.00 176.83 177.71 3hhs s ASP 228 N -7.13 6.21 0.58 3.07 2.15 -1.26 -4.90 116.67 115.39 3hhs s ASP 228 Ca -0.10 -0.48 0.29 0.00 0.43 0.00 0.00 52.55 52.68 3hhs s ASP 228 Cb 0.08 -2.52 1.49 0.00 -0.30 0.00 0.00 42.92 41.67 3hhs s ASP 228 CO 0.91 -1.67 1.93 -0.08 -0.17 0.00 0.00 175.17 176.09 3hhs h GLU 229 N 9.82 0.00 -0.09 4.34 4.81 -2.00 0.29 114.58 131.75 3hhs h GLU 229 Ca -0.28 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 3hhs h GLU 229 Cb 1.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3hhs h GLU 229 CO 1.24 0.00 0.03 0.87 -0.73 0.00 0.00 179.01 180.42 3hhs h LYS 230 N 0.00 0.12 -0.40 1.92 1.57 -1.92 0.66 116.57 118.52 3hhs h LYS 230 Ca 0.22 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 3hhs h LYS 230 Cb 1.12 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 3hhs h LYS 230 CO -0.00 0.11 -0.18 0.82 -0.57 0.00 0.00 179.45 179.62 3hhs h ILE 231 N 0.12 1.27 0.18 1.86 2.04 -0.83 -3.26 117.51 118.88 3hhs h ILE 231 Ca 0.03 -1.28 -0.26 0.00 1.00 0.00 0.00 64.86 64.36 3hhs h ILE 231 Cb 0.03 1.16 0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3hhs h ILE 231 CO -0.00 0.43 -1.17 0.58 0.00 0.00 0.00 178.15 177.99 3hhs h VAL 232 N 0.68 1.34 -0.25 1.67 2.07 -1.49 -3.40 116.25 116.87 3hhs h VAL 232 Ca 0.10 -2.57 -0.64 0.00 0.82 0.00 0.00 66.70 64.42 3hhs h VAL 232 Cb 0.68 3.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 3hhs h VAL 232 CO 0.05 0.75 3.12 0.00 0.02 0.00 0.00 177.57 181.52 3hhs n ALA 233 N -2.74 7.30 -1.94 1.67 0.00 0.17 -4.86 120.51 120.11 3hhs n ALA 233 Ca -0.17 -3.47 -0.29 0.00 0.00 0.00 0.00 53.44 49.50 3hhs n ALA 233 Cb 0.94 -3.14 0.04 0.00 0.00 0.00 0.00 19.45 17.29 3hhs n ALA 233 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hhs s LYS 234 N 1.32 2.94 0.04 0.00 1.02 -1.26 -4.94 119.74 118.85 3hhs s LYS 234 Ca 0.66 0.36 -0.30 0.00 0.02 0.00 0.00 55.97 56.71 3hhs s LYS 234 Cb 0.20 -2.10 -0.07 0.00 -0.52 0.00 0.00 37.83 35.34 3hhs s LYS 234 CO -0.07 -0.90 1.57 0.34 -0.92 0.00 0.00 175.35 175.37 3hhs s ASP 235 N -4.33 6.69 -1.38 2.83 2.15 -1.26 -2.79 116.67 118.57 3hhs s ASP 235 Ca 0.57 2.34 -0.05 0.00 0.43 0.00 0.00 52.55 55.84 3hhs s ASP 235 Cb -0.11 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 39.98 3hhs s ASP 235 CO 0.50 -0.84 0.40 0.54 -0.17 0.00 0.00 175.17 175.60 3hhs n ARG 236 N 5.65 -3.57 -0.09 4.34 1.74 -1.26 -4.64 116.66 118.83 3hhs n ARG 236 Ca 0.15 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 3hhs n ARG 236 Cb 0.42 -5.44 0.29 0.00 -1.02 0.00 0.00 32.46 26.71 3hhs n ARG 236 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3hhs h ARG 237 N -0.85 0.73 -0.15 5.56 -0.00 -1.88 -0.91 114.38 116.88 3hhs h ARG 237 Ca -0.45 -0.09 -0.00 0.00 -0.00 0.00 0.00 59.98 59.44 3hhs h ARG 237 Cb 1.31 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.97 31.13 3hhs h ARG 237 CO 0.51 0.58 0.09 0.78 -0.00 0.00 0.00 179.97 181.93 3hhs h GLY 238 N 0.84 0.22 1.03 0.08 0.00 -1.88 0.11 103.07 103.47 3hhs h GLY 238 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3hhs h GLY 238 CO -0.02 0.09 0.48 -2.09 0.00 0.00 0.00 176.54 174.99 3hhs h GLU 239 N 0.17 1.25 -0.41 4.80 4.81 -1.67 -2.61 114.58 120.92 3hhs h GLU 239 Ca 0.05 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 3hhs h GLU 239 Cb 0.04 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3hhs h GLU 239 CO -0.01 0.92 -0.13 1.25 -0.73 0.00 0.00 179.01 180.31 3hhs h LEU 240 N 1.25 0.73 -0.43 1.64 5.85 -0.97 0.05 115.31 123.44 3hhs h LEU 240 Ca 0.31 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3hhs h LEU 240 Cb 0.05 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3hhs h LEU 240 CO -0.05 0.88 0.14 0.15 -0.34 0.00 0.00 178.44 179.23 3hhs h PHE 241 N 0.67 0.25 0.38 1.25 3.57 -0.56 -0.70 116.94 121.80 3hhs h PHE 241 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hhs h PHE 241 Cb 0.60 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3hhs h PHE 241 CO 0.03 0.09 -0.28 0.35 -2.23 0.00 0.00 178.31 176.27 3hhs h PHE 242 N 0.31 -0.73 -0.16 0.41 3.57 -1.07 -3.00 116.94 116.26 3hhs h PHE 242 Ca 0.20 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3hhs h PHE 242 Cb 0.20 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3hhs h PHE 242 CO -0.16 -0.42 -0.01 -0.92 -2.23 0.00 0.00 178.31 174.57 3hhs h TYR 243 N -0.65 0.33 -0.14 0.41 3.20 -0.77 0.09 116.97 119.45 3hhs h TYR 243 Ca -0.03 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.80 3hhs h TYR 243 Cb 0.56 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3hhs h TYR 243 CO -0.13 0.53 -0.04 1.98 -1.64 0.00 0.00 178.16 178.86 3hhs h MET 244 N 0.03 -0.01 -0.13 1.82 4.05 -1.25 -0.67 114.93 118.77 3hhs h MET 244 Ca 0.04 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.36 3hhs h MET 244 Cb 0.41 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3hhs h MET 244 CO 0.01 -0.00 -0.37 0.45 0.23 0.00 0.00 176.91 177.23 3hhs h HIS 245 N -0.01 0.33 -0.57 1.39 3.86 -1.40 -0.14 115.15 118.61 3hhs h HIS 245 Ca 0.07 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3hhs h HIS 245 Cb 0.11 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 3hhs h HIS 245 CO -0.18 0.62 0.29 0.37 0.86 0.00 0.00 177.93 179.89 3hhs h GLN 246 N 0.24 0.80 -0.14 2.45 -0.00 -0.65 -0.86 115.11 116.95 3hhs h GLN 246 Ca 0.03 -0.11 -0.16 0.00 -0.00 0.00 0.00 58.65 58.41 3hhs h GLN 246 Cb 0.77 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 3hhs h GLN 246 CO 0.06 0.64 -0.58 1.96 0.00 0.00 0.00 178.83 180.91 3hhs h GLN 247 N 0.76 0.46 -0.52 1.69 1.08 -0.88 0.85 115.11 118.56 3hhs h GLN 247 Ca 0.20 -0.30 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 3hhs h GLN 247 Cb 0.08 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 3hhs h GLN 247 CO -0.03 0.91 0.32 0.82 -0.95 0.00 0.00 178.83 179.90 3hhs h ILE 248 N 0.35 1.08 -0.35 2.54 2.04 -0.77 0.99 117.51 123.38 3hhs h ILE 248 Ca 0.00 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3hhs h ILE 248 Cb 1.11 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3hhs h ILE 248 CO 0.10 0.12 0.06 0.40 0.00 0.00 0.00 178.15 178.83 3hhs h ILE 249 N 0.65 1.24 -0.37 -0.67 1.08 -0.90 -0.54 117.51 118.00 3hhs h ILE 249 Ca 0.20 -0.84 0.05 0.00 -0.39 0.00 0.00 64.86 63.89 3hhs h ILE 249 Cb -0.01 1.10 -0.05 0.00 -3.07 0.00 0.00 36.82 34.79 3hhs h ILE 249 CO -0.08 0.28 0.08 0.00 -0.69 0.00 0.00 178.15 177.74 3hhs h ALA 250 N 0.90 0.40 -0.81 1.87 0.00 -0.63 0.13 119.26 121.12 3hhs h ALA 250 Ca 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hhs h ALA 250 Cb 0.36 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hhs h ALA 250 CO 0.01 -0.32 0.43 0.00 0.00 0.00 0.00 179.25 179.36 3hhs h ARG 251 N 0.20 1.14 -0.49 0.00 3.08 -0.60 -1.03 114.38 116.68 3hhs h ARG 251 Ca 0.18 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 3hhs h ARG 251 Cb 0.20 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3hhs h ARG 251 CO -0.23 0.85 -0.16 -0.92 -1.07 0.00 0.00 179.97 178.44 3hhs h TYR 252 N 1.13 1.07 -0.62 3.04 3.20 -0.83 -2.00 116.97 121.96 3hhs h TYR 252 Ca 0.28 -0.23 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 3hhs h TYR 252 Cb 0.05 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3hhs h TYR 252 CO 0.01 1.03 0.08 -0.91 -1.64 0.00 0.00 178.16 176.73 3hhs h ASN 253 N 0.84 1.00 -0.46 -2.11 2.35 -0.71 0.13 115.58 116.61 3hhs h ASN 253 Ca 0.12 -0.27 0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3hhs h ASN 253 Cb 0.71 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.76 3hhs h ASN 253 CO 0.05 1.01 0.15 0.00 -1.65 0.00 0.00 177.43 177.00 3hhs h GLU 255 N 0.31 0.81 -0.51 0.00 4.39 -0.85 -2.34 114.58 116.39 3hhs h GLU 255 Ca 0.22 -0.18 0.07 0.00 0.34 0.00 0.00 59.36 59.81 3hhs h GLU 255 Cb 0.24 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 3hhs h GLU 255 CO -0.24 0.76 0.18 0.00 -1.16 0.00 0.00 179.01 178.54 3hhs h ARG 256 N 0.71 0.34 0.00 2.33 3.08 -0.35 -1.95 114.38 118.54 3hhs h ARG 256 Ca 0.16 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3hhs h ARG 256 Cb 0.29 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3hhs h ARG 256 CO -0.00 0.22 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.93 3hhs h LEU 257 N 0.35 0.00 0.00 3.04 4.07 -1.06 -0.56 115.31 121.15 3hhs h LEU 257 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 3hhs h LEU 257 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3hhs h LEU 257 CO -0.26 0.12 0.00 0.00 -1.08 0.00 0.00 178.44 177.23 3hhs n ASN 259 N -1.37 1.67 -2.61 0.00 4.13 -0.32 -4.80 115.26 111.96 3hhs n ASN 259 Ca 0.09 -3.53 -0.21 0.00 1.68 0.00 0.00 54.58 52.61 3hhs n ASN 259 Cb 0.23 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 3hhs n ASN 259 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3hhs n SER 260 N -0.94 -5.89 -4.53 6.41 7.64 -1.19 -4.98 113.62 110.14 3hhs n SER 260 Ca 0.17 -0.10 -0.25 0.00 1.01 0.00 0.00 58.87 59.69 3hhs n SER 260 Cb 0.74 -4.86 -0.11 0.00 -1.01 0.00 0.00 64.21 58.97 3hhs n SER 260 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hhs s LEU 261 N -6.24 2.66 0.55 -3.43 1.43 -0.59 -5.04 118.68 108.01 3hhs s LEU 261 Ca 0.10 -1.28 0.02 0.00 -1.03 0.00 0.00 54.13 51.94 3hhs s LEU 261 Cb -0.05 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.39 3hhs s LEU 261 CO 0.13 -0.36 0.77 -0.54 0.23 0.00 0.00 176.35 176.57 3hhs s LYS 262 N -3.70 2.55 0.28 1.70 1.02 -1.26 -3.71 119.74 116.62 3hhs s LYS 262 Ca 0.33 -0.81 -0.28 0.00 0.02 0.00 0.00 55.97 55.23 3hhs s LYS 262 Cb 0.06 -2.50 -0.14 0.00 -0.52 0.00 0.00 37.83 34.73 3hhs s LYS 262 CO 0.16 -0.70 1.04 0.54 -0.92 0.00 0.00 175.35 175.48 3hhs n ARG 263 N -2.32 1.39 -1.87 1.68 1.74 -1.26 -4.72 116.66 111.31 3hhs n ARG 263 Ca 0.08 0.49 -0.41 0.00 -0.77 0.00 0.00 57.85 57.24 3hhs n ARG 263 Cb 0.60 -1.89 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 3hhs n ARG 263 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hhs s VAL 264 N -0.97 2.23 -0.12 1.55 0.11 -1.26 -4.97 120.40 116.97 3hhs s VAL 264 Ca 0.60 0.21 -0.24 0.00 -2.93 0.00 0.00 61.98 59.62 3hhs s VAL 264 Cb -0.70 -3.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 3hhs s VAL 264 CO 0.59 0.04 0.73 -0.75 -3.33 0.00 0.00 175.10 172.38 3hhs s LYS 265 N -1.31 4.36 0.56 1.54 2.20 -1.26 -4.99 119.74 120.83 3hhs s LYS 265 Ca 0.56 0.88 -0.20 0.00 -0.36 0.00 0.00 55.97 56.85 3hhs s LYS 265 Cb -0.45 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 3hhs s LYS 265 CO 0.54 -0.10 1.24 -1.59 -0.36 0.00 0.00 175.35 175.08 3hhs s LYS 266 N 1.39 3.14 -0.73 4.03 -2.85 -1.26 -4.51 119.74 118.95 3hhs s LYS 266 Ca 0.36 1.93 -0.17 0.00 -1.00 0.00 0.00 55.97 57.09 3hhs s LYS 266 Cb -0.17 -2.09 0.15 0.00 -2.06 0.00 0.00 37.83 33.65 3hhs s LYS 266 CO 0.15 -1.10 0.80 0.12 0.10 0.00 0.00 175.35 175.42 3hhs s PHE 267 N -1.50 3.27 -0.00 1.78 5.36 -0.91 -4.80 117.98 121.17 3hhs s PHE 267 Ca 0.74 -1.39 0.01 0.00 -0.96 0.00 0.00 56.93 55.33 3hhs s PHE 267 Cb -0.33 -4.00 -0.02 0.00 -0.34 0.00 0.00 43.02 38.33 3hhs s PHE 267 CO 0.37 -1.23 0.02 -1.13 -1.46 0.00 0.00 175.22 171.80 3hhs n SER 268 N 5.60 4.70 -4.35 6.13 3.41 -1.26 -4.75 113.62 123.10 3hhs n SER 268 Ca 0.04 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.19 3hhs n SER 268 Cb 0.45 0.94 -0.02 0.00 -0.26 0.00 0.00 64.21 65.32 3hhs n SER 268 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hhs s ASP 269 N -2.37 6.73 0.00 4.04 1.01 -1.26 -4.91 116.67 119.91 3hhs s ASP 269 Ca -0.01 -2.56 0.24 0.00 0.71 0.00 0.00 52.55 50.93 3hhs s ASP 269 Cb 0.01 -2.24 1.05 0.00 1.01 0.00 0.00 42.92 42.74 3hhs s ASP 269 CO 0.05 -0.66 1.78 0.79 0.21 0.00 0.00 175.17 177.34 3hhs n TRP 270 N 4.45 0.00 1.25 4.23 8.01 -1.26 -1.98 117.44 132.14 3hhs n TRP 270 Ca 0.15 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.47 3hhs n TRP 270 Cb 0.47 -0.48 0.32 0.00 -2.01 0.00 0.00 31.31 29.61 3hhs n TRP 270 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3hhs n ARG 271 N -1.48 1.32 -2.64 -0.99 5.12 -1.26 -4.49 116.66 112.24 3hhs n ARG 271 Ca 0.06 -0.89 -0.30 0.00 -1.93 0.00 0.00 57.85 54.80 3hhs n ARG 271 Cb 0.27 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.07 3hhs n ARG 271 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3hhs s GLU 272 N -2.29 3.71 0.68 5.56 2.02 -0.84 -4.92 118.70 122.63 3hhs s GLU 272 Ca 0.28 0.48 -0.15 0.00 0.02 0.00 0.00 54.97 55.60 3hhs s GLU 272 Cb 0.20 -2.33 0.01 0.00 0.10 0.00 0.00 34.13 32.11 3hhs s GLU 272 CO 0.45 -0.17 1.13 -2.14 0.02 0.00 0.00 175.26 174.55 3hhs s PRO 273 N -4.26 2.62 -0.36 0.39 0.02 -1.26 -4.68 135.00 127.47 3hhs s PRO 273 Ca 0.51 1.46 -0.10 0.00 0.02 0.00 0.00 61.00 62.89 3hhs s PRO 273 Cb -0.10 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.52 3hhs s PRO 273 CO 0.37 -1.40 0.18 0.42 -0.33 0.00 0.00 177.00 176.25 3hhs s ILE 274 N -2.29 4.45 0.30 2.83 1.01 0.47 -4.93 121.20 123.04 3hhs s ILE 274 Ca 0.68 -0.84 0.25 0.00 0.00 0.00 0.00 60.65 60.74 3hhs s ILE 274 Cb -0.22 -3.46 0.25 0.00 0.01 0.00 0.00 42.46 39.04 3hhs s ILE 274 CO 0.43 -0.18 1.95 1.55 0.00 0.00 0.00 174.94 178.68 3hhs h PRO 275 N 8.39 0.00 -6.22 2.79 0.13 -1.94 0.12 132.00 135.27 3hhs h PRO 275 Ca -0.26 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.29 3hhs h PRO 275 Cb 1.11 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 3hhs h PRO 275 CO 0.65 0.19 0.86 -1.21 -0.23 0.00 0.00 178.00 178.26 3hhs s GLU 276 N -3.97 4.13 0.49 0.86 8.01 -1.26 -4.40 118.70 122.57 3hhs s GLU 276 Ca -0.01 1.28 -0.02 0.00 0.01 0.00 0.00 54.97 56.22 3hhs s GLU 276 Cb 0.12 -3.73 -0.01 0.00 -4.31 0.00 0.00 34.13 26.21 3hhs s GLU 276 CO 0.62 -0.81 0.75 0.00 0.01 0.00 0.00 175.26 175.83 3hhs s ALA 277 N 3.58 3.57 -0.29 5.21 0.00 -1.26 -4.66 121.76 127.91 3hhs s ALA 277 Ca 0.48 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 3hhs s ALA 277 Cb -0.15 -2.34 0.10 0.00 0.00 0.00 0.00 23.12 20.73 3hhs s ALA 277 CO 0.13 -0.49 0.70 -0.47 0.00 0.00 0.00 175.76 175.63 3hhs s TYR 278 N -2.70 -1.12 -0.45 0.00 5.04 -0.29 -4.87 117.35 112.96 3hhs s TYR 278 Ca 0.49 2.13 0.01 0.00 -2.44 0.00 0.00 57.07 57.27 3hhs s TYR 278 Cb -0.10 0.67 0.12 0.00 0.35 0.00 0.00 41.96 43.00 3hhs s TYR 278 CO 0.41 -0.55 0.21 0.71 -1.34 0.00 0.00 175.55 174.98 3hhs s TYR 279 N 1.99 3.51 -0.29 4.97 2.02 -1.26 -1.37 117.35 126.92 3hhs s TYR 279 Ca -0.09 -2.87 0.28 0.00 -0.37 0.00 0.00 57.07 54.01 3hhs s TYR 279 Cb -0.07 -3.01 1.07 0.00 -0.40 0.00 0.00 41.96 39.55 3hhs s TYR 279 CO -0.19 -0.88 1.81 -1.00 -1.57 0.00 0.00 175.55 173.72 3hhs h PRO 280 N 7.31 0.00 -0.63 -1.71 0.13 -1.89 -3.44 132.00 131.77 3hhs h PRO 280 Ca -0.07 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.79 3hhs h PRO 280 Cb 0.98 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.00 3hhs h PRO 280 CO 0.64 0.00 -0.25 1.63 -0.23 0.00 0.00 178.00 179.79 3hhs n LYS 281 N -2.61 -1.05 -4.13 0.86 4.76 -1.26 -4.88 118.16 109.85 3hhs n LYS 281 Ca 0.02 0.95 -0.36 0.00 -2.87 0.00 0.00 58.31 56.06 3hhs n LYS 281 Cb 0.29 -5.07 -0.08 0.00 -1.84 0.00 0.00 35.03 28.33 3hhs n LYS 281 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3hhs s LEU 282 N -3.02 3.90 0.02 -0.35 1.43 -1.26 -1.51 118.68 117.89 3hhs s LEU 282 Ca 0.00 0.24 0.09 0.00 -1.03 0.00 0.00 54.13 53.43 3hhs s LEU 282 Cb 0.00 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3hhs s LEU 282 CO 0.00 0.35 -0.26 -1.81 0.23 0.00 0.00 176.35 174.86 3hhs s ASP 283 N -0.68 3.07 -0.09 2.29 1.01 -1.26 -2.24 116.67 118.77 3hhs s ASP 283 Ca 0.12 -0.54 -0.28 0.00 0.71 0.00 0.00 52.55 52.56 3hhs s ASP 283 Cb -0.12 -0.30 -0.02 0.00 1.01 0.00 0.00 42.92 43.49 3hhs s ASP 283 CO 0.02 0.27 0.92 -0.55 0.21 0.00 0.00 175.17 176.05 3hhs s SER 284 N -1.01 7.17 0.30 0.27 0.15 -0.05 -4.78 113.70 115.77 3hhs s SER 284 Ca 0.11 1.43 0.26 0.00 0.70 0.00 0.00 55.95 58.45 3hhs s SER 284 Cb -0.10 -2.52 0.86 0.00 -1.71 0.00 0.00 66.02 62.55 3hhs s SER 284 CO 0.01 -0.34 1.76 -0.07 1.20 0.00 0.00 173.24 175.79 3hhs h LEU 285 N 7.61 0.00 0.12 3.45 3.38 -1.94 -1.13 115.31 126.80 3hhs h LEU 285 Ca -0.34 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.46 3hhs h LEU 285 Cb 1.17 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.94 3hhs h LEU 285 CO 0.81 0.00 -0.72 0.74 0.09 0.00 0.00 178.44 179.36 3hhs h THR 286 N 0.00 1.55 0.00 0.22 2.02 -1.94 -3.39 112.91 111.37 3hhs h THR 286 Ca 0.00 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.67 3hhs h THR 286 Cb 0.64 3.22 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 3hhs h THR 286 CO 0.00 0.71 -0.81 -1.54 0.37 0.00 0.00 175.52 174.25 3hhs n SER 287 N -4.18 0.78 -0.69 4.18 3.41 -1.23 -4.44 113.62 111.45 3hhs n SER 287 Ca -0.13 -0.77 -0.09 0.00 -0.26 0.00 0.00 58.87 57.61 3hhs n SER 287 Cb 0.78 1.07 -0.04 0.00 -0.26 0.00 0.00 64.21 65.76 3hhs n SER 287 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hhs n ALA 288 N -1.42 -0.14 -2.57 7.33 0.00 -0.43 -4.96 120.51 118.33 3hhs n ALA 288 Ca 0.02 0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 3hhs n ALA 288 Cb 0.25 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 3hhs n ALA 288 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hhs s ARG 289 N -2.52 2.63 0.30 0.00 1.81 -1.24 -4.86 118.95 115.07 3hhs s ARG 289 Ca 0.00 -0.64 -0.29 0.00 -1.72 0.00 0.00 55.73 53.08 3hhs s ARG 289 Cb 0.00 -2.52 -0.10 0.00 -0.45 0.00 0.00 34.95 31.88 3hhs s ARG 289 CO 0.00 0.64 1.23 0.20 -0.68 0.00 0.00 175.30 176.69 3hhs s GLY 290 N -1.01 2.99 -0.04 -3.53 0.00 -1.26 -0.87 107.32 103.60 3hhs s GLY 290 Ca 0.14 1.12 -0.30 0.00 0.00 0.00 0.00 44.72 45.68 3hhs s GLY 290 CO 0.03 1.77 1.67 -0.98 0.00 0.00 0.00 173.10 175.59 3hhs s TRP 291 N -1.06 1.98 0.30 1.90 0.52 -0.95 -4.91 118.94 116.71 3hhs s TRP 291 Ca 0.48 0.17 -0.30 0.00 0.02 0.00 0.00 56.10 56.47 3hhs s TRP 291 Cb -0.37 -3.93 -0.11 0.00 -1.15 0.00 0.00 33.47 27.91 3hhs s TRP 291 CO 0.48 -3.94 1.54 -2.14 0.02 0.00 0.00 176.95 172.91 3hhs s PRO 292 N 3.95 4.15 0.78 4.98 0.02 -1.26 -4.80 135.00 142.82 3hhs s PRO 292 Ca 0.74 2.51 -0.12 0.00 0.02 0.00 0.00 61.00 64.15 3hhs s PRO 292 Cb -0.34 -3.03 0.18 0.00 0.02 0.00 0.00 34.50 31.32 3hhs s PRO 292 CO 0.30 -0.56 1.06 -0.35 -0.33 0.00 0.00 177.00 177.12 3hhs n PRO 293 N 1.89 -0.94 -4.04 5.54 -0.04 -1.26 -4.36 135.00 131.80 3hhs n PRO 293 Ca 0.06 -1.76 -0.27 0.00 -0.04 0.00 0.00 63.50 61.50 3hhs n PRO 293 Cb 0.38 -1.05 -0.17 0.00 -0.04 0.00 0.00 33.50 32.62 3hhs n PRO 293 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3hhs s ARG 294 N -5.29 1.72 0.66 0.54 3.52 -0.47 -4.91 118.95 114.72 3hhs s ARG 294 Ca 0.61 -0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 55.76 3hhs s ARG 294 Cb -0.02 -1.67 -0.01 0.00 -1.56 0.00 0.00 34.95 31.69 3hhs s ARG 294 CO 0.43 -0.22 1.05 1.14 -0.81 0.00 0.00 175.30 176.89 3hhs s GLN 295 N 1.50 3.25 0.55 5.12 -2.07 -1.26 -1.14 119.66 125.62 3hhs s GLN 295 Ca 0.02 0.79 -0.20 0.00 -1.82 0.00 0.00 55.36 54.15 3hhs s GLN 295 Cb -0.13 -2.04 -0.05 0.00 -1.09 0.00 0.00 33.01 29.70 3hhs s GLN 295 CO -0.07 -0.83 1.21 0.00 -1.32 0.00 0.00 175.29 174.28 3hhs s ALA 296 N -3.15 2.68 0.00 2.60 0.00 -1.26 -3.90 121.76 118.73 3hhs s ALA 296 Ca 0.57 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3hhs s ALA 296 Cb -0.12 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3hhs s ALA 296 CO 0.54 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.65 3hhs n GLY 297 N 0.50 0.56 3.86 0.00 0.00 0.41 -5.00 105.19 105.53 3hhs n GLY 297 Ca 0.12 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3hhs n GLY 297 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hhs s MET 298 N -0.48 3.27 0.12 1.61 1.00 -1.25 -4.51 119.30 119.07 3hhs s MET 298 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 55.69 56.43 3hhs s MET 298 Cb 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 34.83 32.74 3hhs s MET 298 CO 0.00 -0.79 -0.09 -0.98 0.00 0.00 0.00 175.02 173.15 3hhs s ARG 299 N -5.20 0.94 0.47 2.03 1.70 -1.26 -0.40 118.95 117.23 3hhs s ARG 299 Ca 0.56 -1.33 -0.24 0.00 -0.47 0.00 0.00 55.73 54.25 3hhs s ARG 299 Cb -0.12 -0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 33.68 3hhs s ARG 299 CO 0.54 0.06 1.38 0.91 -1.08 0.00 0.00 175.30 177.10 3hhs n TRP 300 N 0.08 2.47 -4.21 5.89 7.02 -1.26 -4.87 117.44 122.56 3hhs n TRP 300 Ca -0.13 0.45 -0.17 0.00 -1.02 0.00 0.00 57.50 56.64 3hhs n TRP 300 Cb 0.60 -2.42 -0.13 0.00 -2.42 0.00 0.00 31.31 26.94 3hhs n TRP 300 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3hhs s GLN 301 N -2.49 0.69 0.20 -0.99 -0.21 -1.26 -5.02 119.66 110.58 3hhs s GLN 301 Ca 0.63 -0.63 -0.31 0.00 0.02 0.00 0.00 55.36 55.07 3hhs s GLN 301 Cb -0.45 -0.61 -0.15 0.00 1.00 0.00 0.00 33.01 32.79 3hhs s GLN 301 CO 0.56 0.15 1.10 -0.25 -2.12 0.00 0.00 175.29 174.72 3hhs n ASP 302 N 1.98 1.21 -4.69 5.90 8.00 -1.26 -4.89 116.55 122.80 3hhs n ASP 302 Ca -0.18 1.15 -0.38 0.00 0.71 0.00 0.00 54.79 56.09 3hhs n ASP 302 Cb 0.55 -1.22 -0.07 0.00 -0.02 0.00 0.00 41.12 40.36 3hhs n ASP 302 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hhs s LEU 303 N 0.71 4.19 -0.49 0.64 1.43 0.04 -4.67 118.68 120.53 3hhs s LEU 303 Ca 0.69 0.59 0.04 0.00 -1.03 0.00 0.00 54.13 54.42 3hhs s LEU 303 Cb -0.82 -2.55 0.17 0.00 0.03 0.00 0.00 46.19 43.03 3hhs s LEU 303 CO 0.54 -0.05 0.39 0.29 0.23 0.00 0.00 176.35 177.76 3hhs n LYS 304 N 4.22 0.67 -3.53 1.70 5.02 -0.32 -2.06 118.16 123.86 3hhs n LYS 304 Ca -0.08 -3.55 -0.27 0.00 -2.02 0.00 0.00 58.31 52.39 3hhs n LYS 304 Cb 0.51 -1.83 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 3hhs n LYS 304 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hhs n ARG 305 N 2.54 1.07 0.16 1.97 1.74 0.47 -4.32 116.66 120.28 3hhs n ARG 305 Ca 0.27 -3.78 0.04 0.00 -0.77 0.00 0.00 57.85 53.62 3hhs n ARG 305 Cb 0.45 -1.87 0.47 0.00 -1.02 0.00 0.00 32.46 30.48 3hhs n ARG 305 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hhs h PRO 306 N 5.14 0.17 -0.74 5.56 0.13 -1.95 -0.79 132.00 139.52 3hhs h PRO 306 Ca 0.19 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.33 3hhs h PRO 306 Cb 0.83 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 3hhs h PRO 306 CO 0.55 0.26 0.49 0.28 -0.23 0.00 0.00 178.00 179.34 3hhs h VAL 307 N 0.16 1.11 -0.00 1.56 2.07 -1.94 -1.28 116.25 117.94 3hhs h VAL 307 Ca 0.04 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3hhs h VAL 307 Cb 0.25 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3hhs h VAL 307 CO 0.01 0.16 -0.03 0.47 0.02 0.00 0.00 177.57 178.20 3hhs n ASP 308 N -4.45 0.03 -0.22 0.57 8.00 -0.37 -4.79 116.55 115.32 3hhs n ASP 308 Ca 0.09 0.44 -0.03 0.00 0.71 0.00 0.00 54.79 56.01 3hhs n ASP 308 Cb 0.12 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.76 3hhs n ASP 308 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hhs n GLY 309 N 1.50 0.51 3.28 0.44 0.00 -0.48 -1.98 105.19 108.46 3hhs n GLY 309 Ca 0.07 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 3hhs n GLY 309 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hhs s LEU 310 N -0.62 4.06 -0.39 0.99 1.43 -0.78 -4.44 118.68 118.92 3hhs s LEU 310 Ca 0.00 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.13 3hhs s LEU 310 Cb 0.00 -1.85 0.16 0.00 0.03 0.00 0.00 46.19 44.53 3hhs s LEU 310 CO 0.00 -0.26 0.35 0.21 0.23 0.00 0.00 176.35 176.87 3hhs s ASN 311 N 1.42 1.52 -0.17 2.29 2.47 -1.25 -0.39 114.94 120.82 3hhs s ASN 311 Ca -0.00 -2.11 -0.16 0.00 0.42 0.00 0.00 52.86 51.00 3hhs s ASN 311 Cb -0.19 0.17 0.05 0.00 -1.45 0.00 0.00 41.25 39.83 3hhs s ASN 311 CO 0.02 -0.24 0.46 0.54 -3.72 0.00 0.00 177.10 174.17 3hhs s VAL 312 N 0.96 0.00 0.29 -5.21 0.11 -0.88 -5.02 120.40 110.66 3hhs s VAL 312 Ca 0.22 -0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.35 3hhs s VAL 312 Cb -0.12 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 3hhs s VAL 312 CO -0.06 -0.00 0.08 0.42 -3.33 0.00 0.00 175.10 172.22 3hhs s THR 313 N 0.24 3.43 0.27 5.04 -4.23 -1.26 -0.78 115.64 118.34 3hhs s THR 313 Ca -0.00 -1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 3hhs s THR 313 Cb -0.03 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 71.10 3hhs s THR 313 CO 0.01 -0.30 1.92 0.40 -0.54 0.00 0.00 174.62 176.11 3hhs h ILE 314 N 1.70 1.20 -0.51 2.99 2.04 -1.96 -2.03 117.51 120.93 3hhs h ILE 314 Ca -0.45 -0.43 0.10 0.00 1.00 0.00 0.00 64.86 65.08 3hhs h ILE 314 Cb 1.25 -0.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 3hhs h ILE 314 CO 0.61 0.23 0.00 0.44 0.00 0.00 0.00 178.15 179.44 3hhs h ASP 315 N 1.26 -0.21 -0.26 1.72 3.32 -1.99 -1.42 116.42 118.83 3hhs h ASP 315 Ca 0.37 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.60 3hhs h ASP 315 Cb -0.06 0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 3hhs h ASP 315 CO -0.10 -0.07 -0.12 0.44 -1.72 0.00 0.00 179.24 177.66 3hhs h ASP 316 N 0.12 -0.41 -0.64 6.45 3.32 -1.79 -1.42 116.42 122.06 3hhs h ASP 316 Ca 0.26 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.47 3hhs h ASP 316 Cb 0.40 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 3hhs h ASP 316 CO -0.43 -0.15 0.34 0.24 -1.72 0.00 0.00 179.24 177.51 3hhs h MET 317 N -0.08 0.60 -0.59 3.56 2.86 -0.96 -0.78 114.93 119.53 3hhs h MET 317 Ca 0.14 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3hhs h MET 317 Cb 0.29 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3hhs h MET 317 CO -0.32 0.40 0.09 0.93 1.06 0.00 0.00 176.91 179.08 3hhs h GLU 318 N 0.62 0.95 0.06 1.72 5.08 -1.04 -0.81 114.58 121.15 3hhs h GLU 318 Ca 0.29 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hhs h GLU 318 Cb 0.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3hhs h GLU 318 CO -0.20 0.88 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.58 3hhs h ARG 319 N 0.90 -0.07 -0.43 2.33 2.43 -0.76 -0.65 114.38 118.13 3hhs h ARG 319 Ca 0.18 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3hhs h ARG 319 Cb 0.39 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3hhs h ARG 319 CO 0.01 -0.01 0.22 1.88 -1.51 0.00 0.00 179.97 180.56 3hhs h TYR 320 N -0.12 0.40 -0.70 2.20 0.05 -0.88 -1.72 116.97 116.19 3hhs h TYR 320 Ca -0.01 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3hhs h TYR 320 Cb 0.10 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3hhs h TYR 320 CO -0.06 0.20 0.39 -0.09 -1.05 0.00 0.00 178.16 177.55 3hhs h ARG 321 N 0.43 0.97 -0.80 4.88 2.43 -1.08 -1.28 114.38 119.94 3hhs h ARG 321 Ca 0.19 -0.11 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 3hhs h ARG 321 Cb 0.09 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.38 3hhs h ARG 321 CO -0.13 0.72 0.45 0.00 -1.51 0.00 0.00 179.97 179.50 3hhs h ARG 322 N 0.96 0.74 -0.32 0.20 3.08 -0.73 -0.53 114.38 117.78 3hhs h ARG 322 Ca 0.25 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 3hhs h ARG 322 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3hhs h ARG 322 CO -0.04 0.49 0.05 -0.91 -1.07 0.00 0.00 179.97 178.49 3hhs h ASN 323 N 0.77 0.52 -0.44 7.04 2.35 -0.59 -0.78 115.58 124.45 3hhs h ASN 323 Ca 0.38 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3hhs h ASN 323 Cb 0.34 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3hhs h ASN 323 CO -0.24 0.66 0.26 0.40 -1.65 0.00 0.00 177.43 176.85 3hhs h ILE 324 N 0.37 1.15 -0.52 2.81 1.08 -1.05 -1.96 117.51 119.39 3hhs h ILE 324 Ca 0.10 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 64.17 3hhs h ILE 324 Cb 0.36 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 3hhs h ILE 324 CO 0.01 0.15 0.16 -0.33 -0.69 0.00 0.00 178.15 177.45 3hhs h GLU 325 N 0.59 0.77 -0.60 2.37 5.08 -0.98 -1.60 114.58 120.20 3hhs h GLU 325 Ca 0.16 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3hhs h GLU 325 Cb 0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3hhs h GLU 325 CO -0.03 0.66 0.09 1.49 -1.00 0.00 0.00 179.01 180.23 3hhs h GLU 326 N 0.75 1.00 -0.70 2.33 4.57 -0.96 -0.45 114.58 121.11 3hhs h GLU 326 Ca 0.17 -0.27 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3hhs h GLU 326 Cb 0.22 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 3hhs h GLU 326 CO -0.01 0.95 0.45 0.00 -1.18 0.00 0.00 179.01 179.21 3hhs h ALA 327 N 1.01 0.92 -0.43 2.92 0.00 -0.96 -0.43 119.26 122.29 3hhs h ALA 327 Ca 0.18 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3hhs h ALA 327 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hhs h ALA 327 CO 0.01 0.24 -0.11 0.82 0.00 0.00 0.00 179.25 180.21 3hhs h ILE 328 N 0.88 1.27 -0.21 0.00 2.04 -1.14 0.28 117.51 120.64 3hhs h ILE 328 Ca 0.28 -1.23 -0.10 0.00 1.00 0.00 0.00 64.86 64.81 3hhs h ILE 328 Cb -0.01 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3hhs h ILE 328 CO -0.10 0.42 -0.30 0.00 0.00 0.00 0.00 178.15 178.16 3hhs h ALA 329 N 0.86 1.09 0.00 1.87 0.00 -0.81 -3.16 119.26 119.11 3hhs h ALA 329 Ca 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3hhs h ALA 329 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3hhs h ALA 329 CO 0.04 0.57 -1.59 0.25 0.00 0.00 0.00 179.25 178.52 3hhs n THR 330 N -4.09 0.38 -0.82 0.00 -2.24 -0.19 -4.98 114.28 102.33 3hhs n THR 330 Ca -0.01 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3hhs n THR 330 Cb 0.43 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3hhs n THR 330 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hhs n GLY 331 N 1.26 0.92 3.31 3.38 0.00 0.96 -5.04 105.19 109.97 3hhs n GLY 331 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3hhs n GLY 331 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hhs s ASN 332 N -3.00 3.14 0.02 1.61 0.02 -1.05 -0.49 114.94 115.18 3hhs s ASN 332 Ca 0.00 -0.46 -0.11 0.00 -1.02 0.00 0.00 52.86 51.27 3hhs s ASN 332 Cb 0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 41.25 40.65 3hhs s ASN 332 CO 0.00 0.29 0.36 0.68 0.02 0.00 0.00 177.10 178.45 3hhs s VAL 333 N -0.45 5.14 -0.20 1.60 -7.23 0.15 -4.31 120.40 115.10 3hhs s VAL 333 Ca 0.05 0.54 -0.17 0.00 -1.81 0.00 0.00 61.98 60.59 3hhs s VAL 333 Cb -0.11 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 3hhs s VAL 333 CO 0.01 0.45 0.43 -0.63 -0.31 0.00 0.00 175.10 175.05 3hhs s ILE 334 N -1.22 5.17 0.59 -0.62 1.01 -1.26 -1.81 121.20 123.06 3hhs s ILE 334 Ca 0.27 0.77 -0.06 0.00 0.00 0.00 0.00 60.65 61.63 3hhs s ILE 334 Cb -0.15 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.57 3hhs s ILE 334 CO 0.14 0.22 0.91 -0.76 0.00 0.00 0.00 174.94 175.46 3hhs s LEU 335 N 1.46 3.23 0.52 2.97 1.43 0.15 -4.69 118.68 123.74 3hhs s LEU 335 Ca 0.20 0.77 0.24 0.00 -1.03 0.00 0.00 54.13 54.32 3hhs s LEU 335 Cb -0.15 -3.61 1.36 0.00 0.03 0.00 0.00 46.19 43.82 3hhs s LEU 335 CO 0.09 -1.05 1.99 -0.65 0.23 0.00 0.00 176.35 176.95 3hhs h PRO 336 N -0.19 0.05 -0.11 1.29 0.11 -1.87 0.29 132.00 131.56 3hhs h PRO 336 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hhs h PRO 336 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hhs h PRO 336 CO 0.61 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 3hhs n ASP 337 N -4.39 0.85 0.00 -2.05 3.85 -1.26 -4.91 116.55 108.64 3hhs n ASP 337 Ca 0.10 -1.70 0.00 0.00 -0.71 0.00 0.00 54.79 52.48 3hhs n ASP 337 Cb 0.60 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.29 3hhs n ASP 337 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3hhs n LYS 338 N -0.16 0.00 -1.22 0.11 4.76 0.09 -5.04 118.16 116.70 3hhs n LYS 338 Ca 0.12 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.25 3hhs n LYS 338 Cb 0.18 -1.76 0.10 0.00 -1.84 0.00 0.00 35.03 31.71 3hhs n LYS 338 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hhs s SER 339 N -3.56 4.34 0.34 4.39 1.04 -1.26 -4.71 113.70 114.27 3hhs s SER 339 Ca 0.00 1.83 0.08 0.00 0.48 0.00 0.00 55.95 58.35 3hhs s SER 339 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 3hhs s SER 339 CO 0.00 -2.14 0.11 0.42 0.98 0.00 0.00 173.24 172.61 3hhs s THR 340 N -2.89 2.98 -0.06 2.02 -4.23 -1.26 -0.68 115.64 111.53 3hhs s THR 340 Ca 0.62 -1.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.26 3hhs s THR 340 Cb -0.18 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.75 3hhs s THR 340 CO 0.56 -0.20 0.27 -0.75 -0.54 0.00 0.00 174.62 173.96 3hhs s LYS 341 N -3.81 0.46 0.14 3.99 2.20 -0.75 -4.95 119.74 117.01 3hhs s LYS 341 Ca 0.37 0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.76 3hhs s LYS 341 Cb -0.02 0.21 -0.08 0.00 -1.51 0.00 0.00 37.83 36.42 3hhs s LYS 341 CO 0.22 -0.09 1.41 0.21 -0.36 0.00 0.00 175.35 176.73 3hhs s LYS 342 N -0.54 4.31 0.10 4.03 2.20 -1.26 -0.67 119.74 127.91 3hhs s LYS 342 Ca -0.06 2.13 -0.31 0.00 -0.36 0.00 0.00 55.97 57.37 3hhs s LYS 342 Cb -0.04 -3.22 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 3hhs s LYS 342 CO 0.02 -0.44 1.23 -1.17 -0.36 0.00 0.00 175.35 174.62 3hhs s LEU 343 N 0.87 4.39 0.38 5.43 2.96 0.36 -4.82 118.68 128.26 3hhs s LEU 343 Ca 0.64 2.12 0.04 0.00 -0.22 0.00 0.00 54.13 56.71 3hhs s LEU 343 Cb -0.38 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.67 3hhs s LEU 343 CO 0.32 -0.47 0.05 1.51 -1.32 0.00 0.00 176.35 176.45 3hhs s ASP 344 N 0.81 2.97 0.25 3.68 1.47 -1.26 -4.99 116.67 119.60 3hhs s ASP 344 Ca 0.58 -1.46 -0.02 0.00 1.18 0.00 0.00 52.55 52.83 3hhs s ASP 344 Cb -0.31 0.02 0.29 0.00 -0.34 0.00 0.00 42.92 42.57 3hhs s ASP 344 CO 0.31 -0.66 1.72 -0.29 0.68 0.00 0.00 175.17 176.93 3hhs h ILE 345 N 1.90 1.25 -0.02 2.11 6.09 -1.97 -0.86 117.51 126.02 3hhs h ILE 345 Ca -0.41 -1.13 -0.00 0.00 -1.37 0.00 0.00 64.86 61.95 3hhs h ILE 345 Cb 1.26 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 39.56 3hhs h ILE 345 CO 0.71 0.39 0.01 -0.78 -3.07 0.00 0.00 178.15 175.40 3hhs h ASP 346 N 0.70 0.02 -0.31 2.19 3.58 -1.95 -0.88 116.42 119.76 3hhs h ASP 346 Ca 0.12 -0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.51 3hhs h ASP 346 Cb 0.56 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 3hhs h ASP 346 CO 0.03 0.12 0.09 -0.03 -2.88 0.00 0.00 179.24 176.57 3hhs h MET 347 N -0.07 0.21 -1.01 0.28 4.05 -1.87 -2.04 114.93 114.48 3hhs h MET 347 Ca 0.01 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 3hhs h MET 347 Cb 0.10 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.79 3hhs h MET 347 CO -0.00 0.14 0.66 1.25 0.23 0.00 0.00 176.91 179.19 3hhs h LEU 348 N 0.22 1.09 -0.24 3.39 5.85 -0.97 0.13 115.31 124.78 3hhs h LEU 348 Ca 0.14 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3hhs h LEU 348 Cb 0.13 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3hhs h LEU 348 CO -0.16 0.73 0.11 1.23 -0.34 0.00 0.00 178.44 180.01 3hhs h GLY 349 N 1.25 0.31 1.63 3.75 0.00 -0.91 -0.79 103.07 108.31 3hhs h GLY 349 Ca 0.41 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 3hhs h GLY 349 CO -0.14 0.06 -0.18 3.43 0.00 0.00 0.00 176.54 179.71 3hhs h ASN 350 N 0.24 0.44 0.08 0.19 2.35 -0.86 -2.27 115.58 115.75 3hhs h ASN 350 Ca 0.10 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 3hhs h ASN 350 Cb 0.04 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3hhs h ASN 350 CO -0.08 0.64 -0.43 0.24 -1.65 0.00 0.00 177.43 176.15 3hhs h MET 351 N 0.41 0.43 0.14 0.81 2.86 -0.52 -1.44 114.93 117.63 3hhs h MET 351 Ca 0.07 -0.22 -0.28 0.00 -2.06 0.00 0.00 59.70 57.20 3hhs h MET 351 Cb 0.55 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.23 3hhs h MET 351 CO 0.04 0.78 -1.27 0.52 1.06 0.00 0.00 176.91 178.04 3hhs h MET 352 N 0.36 0.33 -0.42 1.72 2.86 -0.97 -3.39 114.93 115.42 3hhs h MET 352 Ca 0.03 -0.55 0.06 0.00 -2.06 0.00 0.00 59.70 57.18 3hhs h MET 352 Cb 0.90 0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.71 3hhs h MET 352 CO 0.08 1.26 0.12 1.49 1.06 0.00 0.00 176.91 180.92 3hhs h GLU 353 N 0.10 0.26 -7.06 1.72 4.81 -1.50 -1.65 114.58 111.26 3hhs h GLU 353 Ca -0.15 -0.02 -0.46 0.00 -0.13 0.00 0.00 59.36 58.60 3hhs h GLU 353 Cb 1.99 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.31 3hhs h GLU 353 CO 0.22 0.17 0.36 0.00 -0.73 0.00 0.00 179.01 179.03 3hhs s ALA 354 N -6.15 2.97 0.40 2.92 0.00 -1.26 -0.63 121.76 120.00 3hhs s ALA 354 Ca -0.13 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.38 3hhs s ALA 354 Cb 0.13 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 3hhs s ALA 354 CO 0.72 -0.09 0.57 -1.54 0.00 0.00 0.00 175.76 175.42 3hhs s SER 355 N -2.05 5.85 0.00 0.00 1.04 -0.54 -4.87 113.70 113.13 3hhs s SER 355 Ca 0.64 -0.01 0.06 0.00 0.48 0.00 0.00 55.95 57.11 3hhs s SER 355 Cb -0.13 -1.28 0.26 0.00 0.10 0.00 0.00 66.02 64.97 3hhs s SER 355 CO 0.17 -0.60 1.13 1.33 0.98 0.00 0.00 173.24 176.25 3hhs n VAL 356 N -1.86 1.38 1.30 5.02 0.24 -0.41 -1.72 118.33 122.28 3hhs n VAL 356 Ca 0.01 0.34 0.14 0.00 -2.04 0.00 0.00 64.34 62.79 3hhs n VAL 356 Cb 0.58 -1.25 0.49 0.00 -1.47 0.00 0.00 33.84 32.20 3hhs n VAL 356 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hhs n LEU 357 N -1.43 0.67 -4.59 1.34 4.77 -1.26 -4.92 117.00 111.59 3hhs n LEU 357 Ca 0.02 -0.08 -0.46 0.00 -0.03 0.00 0.00 56.01 55.46 3hhs n LEU 357 Cb 0.06 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3hhs n LEU 357 CO 0.05 0.13 0.62 -0.24 -1.33 0.00 0.00 177.39 176.62 3hhs n SER 358 N -0.89 1.37 0.18 -1.43 2.88 -0.70 -4.89 113.62 110.14 3hhs n SER 358 Ca 0.13 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.97 3hhs n SER 358 Cb 0.31 -1.28 0.41 0.00 -0.75 0.00 0.00 64.21 62.90 3hhs n SER 358 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hhs h PRO 359 N 2.43 0.00 -0.95 -1.46 0.13 -1.91 -3.41 132.00 126.84 3hhs h PRO 359 Ca -0.41 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.65 3hhs h PRO 359 Cb 1.34 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.29 3hhs h PRO 359 CO 0.64 0.00 -0.44 1.21 -0.23 0.00 0.00 178.00 179.18 3hhs s ASN 360 N -5.23 -1.43 0.14 1.44 3.84 -1.26 -4.50 114.94 107.94 3hhs s ASN 360 Ca 0.06 -1.04 -0.03 0.00 0.21 0.00 0.00 52.86 52.07 3hhs s ASN 360 Cb 0.09 1.85 -0.06 0.00 -0.55 0.00 0.00 41.25 42.57 3hhs s ASN 360 CO 0.57 -0.12 1.33 -0.09 -2.79 0.00 0.00 177.10 176.00 3hhs h ARG 361 N 6.26 0.38 -0.94 0.43 9.65 -1.88 -1.42 114.38 126.87 3hhs h ARG 361 Ca 0.05 -0.40 0.14 0.00 -1.10 0.00 0.00 59.98 58.67 3hhs h ARG 361 Cb 1.16 0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 29.76 3hhs h ARG 361 CO 0.06 1.07 0.56 0.22 2.80 0.00 0.00 179.97 184.67 3hhs h ASP 362 N 0.22 0.77 0.21 -3.80 3.58 -1.95 -0.43 116.42 115.02 3hhs h ASP 362 Ca -0.07 0.07 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 3hhs h ASP 362 Cb 1.53 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.50 3hhs h ASP 362 CO 0.15 0.37 -1.83 0.25 -2.88 0.00 0.00 179.24 175.30 3hhs h LEU 363 N 0.83 0.47 -0.07 2.28 5.85 -1.90 -3.39 115.31 119.38 3hhs h LEU 363 Ca 0.49 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3hhs h LEU 363 Cb 0.58 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3hhs h LEU 363 CO -0.31 1.73 -0.86 -1.22 -0.34 0.00 0.00 178.44 177.45 3hhs n TYR 364 N -3.49 0.00 -4.86 1.25 4.01 -0.56 -4.67 117.16 108.84 3hhs n TYR 364 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 3hhs n TYR 364 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 3hhs n TYR 364 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hhs n GLY 365 N 1.44 1.48 2.34 2.72 0.00 -0.18 -4.40 105.19 108.59 3hhs n GLY 365 Ca 0.04 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 3hhs n GLY 365 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hhs n SER 366 N -1.10 -0.50 -0.00 1.61 2.88 -1.26 -4.63 113.62 110.62 3hhs n SER 366 Ca 0.00 -2.60 -0.12 0.00 -1.33 0.00 0.00 58.87 54.82 3hhs n SER 366 Cb 0.00 -0.33 -0.08 0.00 -0.75 0.00 0.00 64.21 63.05 3hhs n SER 366 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3hhs h ILE 367 N 3.36 1.22 -0.08 2.46 2.04 -1.76 -1.91 117.51 122.83 3hhs h ILE 367 Ca 0.14 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 3hhs h ILE 367 Cb 0.91 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3hhs h ILE 367 CO 0.39 0.18 0.04 -0.74 0.00 0.00 0.00 178.15 178.02 3hhs h HIS 368 N -0.21 0.12 -0.84 1.37 2.76 -1.30 -0.26 115.15 116.79 3hhs h HIS 368 Ca 0.01 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3hhs h HIS 368 Cb 0.29 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.14 3hhs h HIS 368 CO 0.02 0.21 0.50 -0.91 -1.30 0.00 0.00 177.93 176.45 3hhs h ASN 369 N -0.01 0.75 0.86 3.26 2.35 -0.89 -2.15 115.58 119.75 3hhs h ASN 369 Ca 0.03 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3hhs h ASN 369 Cb 0.14 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hhs h ASN 369 CO -0.00 0.46 -0.30 0.78 -1.65 0.00 0.00 177.43 176.72 3hhs h ASN 370 N 0.87 0.00 -0.71 5.81 2.35 -0.97 -2.57 115.58 120.37 3hhs h ASN 370 Ca 0.38 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 3hhs h ASN 370 Cb 0.27 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 3hhs h ASN 370 CO -0.21 0.30 0.41 0.24 -1.65 0.00 0.00 177.43 176.51 3hhs h MET 371 N 0.00 1.00 -0.06 0.81 2.86 -0.38 -0.63 114.93 118.53 3hhs h MET 371 Ca -0.00 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3hhs h MET 371 Cb 0.81 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 3hhs h MET 371 CO 0.04 0.72 0.02 0.45 1.06 0.00 0.00 176.91 179.20 3hhs h HIS 372 N 1.01 0.09 0.37 -0.22 3.86 -1.34 -2.14 115.15 116.79 3hhs h HIS 372 Ca 0.26 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3hhs h HIS 372 Cb 0.01 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 3hhs h HIS 372 CO 0.01 0.26 -0.49 0.77 0.86 0.00 0.00 177.93 179.33 3hhs h SER 373 N -0.10 -1.38 -0.61 2.45 0.02 -1.16 -1.01 113.55 111.75 3hhs h SER 373 Ca 0.02 0.12 0.11 0.00 -0.84 0.00 0.00 61.79 61.21 3hhs h SER 373 Cb 0.21 0.48 -0.09 0.00 0.14 0.00 0.00 62.40 63.14 3hhs h SER 373 CO -0.00 -0.61 0.15 -0.26 -1.14 0.00 0.00 176.83 174.96 3hhs h PHE 374 N -0.90 0.24 0.00 3.45 0.04 -1.18 -2.19 116.94 116.40 3hhs h PHE 374 Ca -0.04 0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 3hhs h PHE 374 Cb 0.82 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 3hhs h PHE 374 CO -0.31 -0.01 -0.41 0.77 -0.60 0.00 0.00 178.31 177.75 3hhs h SER 375 N 0.28 0.00 1.06 2.17 0.02 -1.19 -3.05 113.55 112.85 3hhs h SER 375 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3hhs h SER 375 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3hhs h SER 375 CO -0.39 0.41 -0.19 0.00 -1.14 0.00 0.00 176.83 175.52 3hhs n ALA 376 N -2.39 2.60 -1.14 3.77 0.00 -0.40 -4.20 120.51 118.74 3hhs n ALA 376 Ca -0.01 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.37 3hhs n ALA 376 Cb 0.47 -1.36 0.12 0.00 0.00 0.00 0.00 19.45 18.67 3hhs n ALA 376 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hhs n TYR 377 N -1.86 0.00 0.30 0.00 4.01 -1.07 -0.96 117.16 117.58 3hhs n TYR 377 Ca 0.06 -0.86 0.17 0.00 -0.16 0.00 0.00 57.90 57.10 3hhs n TYR 377 Cb 0.39 -0.13 0.94 0.00 -0.31 0.00 0.00 39.34 40.22 3hhs n TYR 377 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 3hhs h MET 378 N 0.00 0.00 0.00 -0.72 2.86 -1.72 -1.11 114.93 114.23 3hhs h MET 378 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hhs h MET 378 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3hhs h MET 378 CO 0.00 0.03 -0.11 1.12 1.06 0.00 0.00 176.91 179.01 3hhs h HIS 379 N 0.00 0.00 -0.44 -0.22 -0.00 -1.91 -3.40 115.15 109.18 3hhs h HIS 379 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.08 3hhs h HIS 379 Cb 0.14 0.00 -0.20 0.00 -0.00 0.00 0.00 27.41 27.34 3hhs h HIS 379 CO 0.00 0.00 -0.61 -3.47 -0.00 0.00 0.00 177.93 173.85 3hhs n ASP 380 N -2.90 -1.68 0.24 3.10 2.03 -0.52 -4.92 116.55 111.90 3hhs n ASP 380 Ca 0.04 -3.53 0.16 0.00 0.52 0.00 0.00 54.79 51.98 3hhs n ASP 380 Cb 0.51 1.37 0.70 0.00 -0.72 0.00 0.00 41.12 42.98 3hhs n ASP 380 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hhs h PRO 381 N 3.07 0.00 0.00 -0.67 0.13 -1.52 -3.03 132.00 129.97 3hhs h PRO 381 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3hhs h PRO 381 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hhs h PRO 381 CO 0.22 0.00 -0.01 0.39 -0.23 0.00 0.00 178.00 178.37 3hhs n GLU 382 N -2.85 1.52 -1.63 0.86 1.02 -1.26 -1.17 120.64 117.13 3hhs n GLU 382 Ca 0.00 -2.35 -0.18 0.00 -0.02 0.00 0.00 57.16 54.62 3hhs n GLU 382 Cb 0.25 -1.39 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 3hhs n GLU 382 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3hhs n HIS 383 N -1.24 -0.11 0.22 -0.32 -0.00 -1.15 -4.82 115.22 107.80 3hhs n HIS 383 Ca 0.13 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.92 3hhs n HIS 383 Cb 0.58 -3.14 0.58 0.00 -0.00 0.00 0.00 29.99 28.01 3hhs n HIS 383 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hhs h ARG 384 N 0.00 0.07 -0.36 1.57 3.08 -1.95 -2.97 114.38 113.83 3hhs h ARG 384 Ca -0.38 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3hhs h ARG 384 Cb 1.19 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3hhs h ARG 384 CO 0.54 0.09 0.00 0.66 -1.07 0.00 0.00 179.97 180.18 3hhs n TYR 385 N -4.48 0.46 -3.22 3.04 4.01 -1.26 -4.97 117.16 110.73 3hhs n TYR 385 Ca -0.02 -0.27 -0.23 0.00 -0.16 0.00 0.00 57.90 57.21 3hhs n TYR 385 Cb 0.12 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.17 3hhs n TYR 385 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3hhs n LEU 386 N 1.25 -2.24 -4.83 7.72 4.77 -1.12 -4.98 117.00 117.57 3hhs n LEU 386 Ca 0.17 -0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 3hhs n LEU 386 Cb 0.54 -2.62 -0.04 0.00 -2.33 0.00 0.00 43.42 38.97 3hhs n LEU 386 CO 0.14 0.23 -0.17 -1.61 -1.33 0.00 0.00 177.39 174.64 3hhs s GLU 387 N -5.89 2.94 0.00 3.23 0.41 -1.26 -5.14 118.70 112.98 3hhs s GLU 387 Ca 0.37 -1.02 0.00 0.00 -0.41 0.00 0.00 54.97 53.91 3hhs s GLU 387 Cb -0.18 -2.58 0.00 0.00 -1.78 0.00 0.00 34.13 29.59 3hhs s GLU 387 CO 0.46 0.41 0.00 0.45 -0.49 0.00 0.00 175.26 176.09 3hhs n SER 388 N -1.07 0.10 -4.83 -0.19 2.88 -1.26 -4.93 113.62 104.32 3hhs n SER 388 Ca -0.08 -0.94 -0.33 0.00 -1.33 0.00 0.00 58.87 56.19 3hhs n SER 388 Cb 0.57 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.97 3hhs n SER 388 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3hhs s PHE 389 N 0.96 3.34 1.09 0.66 -0.12 -1.26 -4.70 117.98 117.94 3hhs s PHE 389 Ca 0.00 1.48 -0.16 0.00 -0.05 0.00 0.00 56.93 58.20 3hhs s PHE 389 Cb 0.00 -2.75 0.23 0.00 -0.63 0.00 0.00 43.02 39.87 3hhs s PHE 389 CO 0.00 -0.03 1.13 0.20 -0.05 0.00 0.00 175.22 176.47 3hhs s GLY 390 N -2.19 1.60 0.56 1.99 0.00 -0.13 -4.22 107.32 104.92 3hhs s GLY 390 Ca 0.59 -0.76 0.24 0.00 0.00 0.00 0.00 44.72 44.79 3hhs s GLY 390 CO 0.15 -0.01 2.15 -0.39 0.00 0.00 0.00 173.10 175.00 3hhs h VAL 391 N -2.16 0.69 -0.00 1.40 -1.51 -1.89 -1.99 116.25 110.78 3hhs h VAL 391 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3hhs h VAL 391 Cb 1.30 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 3hhs h VAL 391 CO 0.45 0.00 0.02 -0.29 -1.23 0.00 0.00 177.57 176.51 3hhs h ILE 392 N 0.00 0.05 -0.45 7.19 2.10 -1.85 -2.29 117.51 122.26 3hhs h ILE 392 Ca 0.05 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.99 3hhs h ILE 392 Cb 0.24 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 3hhs h ILE 392 CO -0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3hhs n ALA 393 N -2.09 2.86 -3.59 0.18 0.00 -0.75 -4.71 120.51 112.40 3hhs n ALA 393 Ca -0.03 -1.04 -0.23 0.00 0.00 0.00 0.00 53.44 52.14 3hhs n ALA 393 Cb 0.09 -1.01 -0.17 0.00 0.00 0.00 0.00 19.45 18.36 3hhs n ALA 393 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hhs s ASP 394 N -0.79 1.50 0.56 0.00 -1.08 -0.88 -4.68 116.67 111.31 3hhs s ASP 394 Ca 0.34 -0.22 0.32 0.00 -0.52 0.00 0.00 52.55 52.47 3hhs s ASP 394 Cb 0.22 -0.67 1.65 0.00 -1.46 0.00 0.00 42.92 42.66 3hhs s ASP 394 CO 0.17 -0.03 2.13 -0.33 0.52 0.00 0.00 175.17 177.63 3hhs h GLU 395 N 7.27 0.00 0.00 4.34 3.07 -1.88 0.23 114.58 127.61 3hhs h GLU 395 Ca -0.33 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.53 3hhs h GLU 395 Cb 1.16 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3hhs h GLU 395 CO 0.45 0.07 -0.25 0.00 -1.40 0.00 0.00 179.01 177.88 3hhs h ALA 396 N 1.93 0.87 0.00 3.43 0.00 -1.92 -3.28 119.26 120.30 3hhs h ALA 396 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hhs h ALA 396 Cb 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hhs h ALA 396 CO 0.01 0.03 -1.26 0.25 0.00 0.00 0.00 179.25 178.28 3hhs n THR 397 N -3.01 0.02 -0.25 0.00 -2.24 -0.83 -4.71 114.28 103.26 3hhs n THR 397 Ca 0.03 -0.13 0.04 0.00 -2.27 0.00 0.00 64.05 61.72 3hhs n THR 397 Cb 0.54 0.30 0.17 0.00 -2.10 0.00 0.00 70.33 69.25 3hhs n THR 397 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hhs h THR 398 N 0.00 0.71 0.00 4.28 1.03 -0.78 -1.77 112.91 116.38 3hhs h THR 398 Ca -0.01 -0.17 -0.00 0.00 -0.01 0.00 0.00 66.41 66.23 3hhs h THR 398 Cb 0.31 0.18 -0.00 0.00 -1.07 0.00 0.00 68.15 67.58 3hhs h THR 398 CO 0.00 0.09 -0.00 0.24 -0.01 0.00 0.00 175.52 175.84 3hhs h MET 399 N 0.48 0.00 -0.09 0.00 2.86 -1.85 -2.08 114.93 114.24 3hhs h MET 399 Ca 0.39 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.01 3hhs h MET 399 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3hhs h MET 399 CO -0.36 0.00 -0.05 0.00 1.06 0.00 0.00 176.91 177.56 3hhs h ARG 400 N 0.00 0.13 -5.89 1.72 3.08 -1.26 -3.43 114.38 108.73 3hhs h ARG 400 Ca -0.00 -0.02 -0.58 0.00 0.07 0.00 0.00 59.98 59.45 3hhs h ARG 400 Cb 0.01 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 3hhs h ARG 400 CO 0.00 0.19 0.24 0.34 -1.07 0.00 0.00 179.97 179.67 3hhs s ASP 401 N -6.95 6.89 0.49 7.04 -1.08 -0.78 -4.76 116.67 117.51 3hhs s ASP 401 Ca -0.05 1.08 0.27 0.00 -0.52 0.00 0.00 52.55 53.33 3hhs s ASP 401 Cb 0.16 -2.41 1.35 0.00 -1.46 0.00 0.00 42.92 40.56 3hhs s ASP 401 CO 0.70 -0.29 1.85 -0.65 0.52 0.00 0.00 175.17 177.30 3hhs h PRO 402 N 7.23 0.14 0.00 4.34 0.11 -1.88 -1.99 132.00 139.95 3hhs h PRO 402 Ca -0.33 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.69 3hhs h PRO 402 Cb 1.15 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hhs h PRO 402 CO 0.80 0.09 -0.39 0.35 -0.21 0.00 0.00 178.00 178.64 3hhs h PHE 403 N 0.15 0.00 -0.89 0.65 3.57 -1.92 -2.70 116.94 115.80 3hhs h PHE 403 Ca 0.48 0.00 0.24 0.00 3.53 0.00 0.00 57.97 62.22 3hhs h PHE 403 Cb 1.64 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 40.23 3hhs h PHE 403 CO -0.00 0.39 0.15 0.35 -2.23 0.00 0.00 178.31 176.98 3hhs h PHE 404 N 0.00 0.20 -0.14 0.41 3.57 -1.61 -1.19 116.94 118.18 3hhs h PHE 404 Ca -0.00 0.06 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 3hhs h PHE 404 Cb 0.80 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3hhs h PHE 404 CO 0.00 -0.28 -0.52 1.88 -2.23 0.00 0.00 178.31 177.17 3hhs h TYR 405 N 0.13 0.49 -0.46 0.41 0.05 -1.63 -1.30 116.97 114.66 3hhs h TYR 405 Ca 0.55 -0.17 -0.05 0.00 0.05 0.00 0.00 58.73 59.11 3hhs h TYR 405 Cb 1.11 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.73 3hhs h TYR 405 CO -0.34 0.83 0.08 0.00 -1.05 0.00 0.00 178.16 177.69 3hhs h ARG 406 N 0.31 0.76 -0.04 4.88 3.08 -1.41 0.29 114.38 122.25 3hhs h ARG 406 Ca 0.01 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.88 3hhs h ARG 406 Cb 1.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3hhs h ARG 406 CO 0.09 0.77 -0.04 0.28 -1.07 0.00 0.00 179.97 180.00 3hhs h VAL 407 N 0.63 0.88 0.00 2.04 2.07 -1.05 -2.20 116.25 118.61 3hhs h VAL 407 Ca 0.14 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.54 3hhs h VAL 407 Cb 0.37 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hhs h VAL 407 CO 0.01 0.00 -0.58 0.45 0.02 0.00 0.00 177.57 177.46 3hhs h HIS 408 N -0.05 0.00 -0.84 1.57 3.86 -1.16 -1.94 115.15 116.59 3hhs h HIS 408 Ca 0.03 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 3hhs h HIS 408 Cb 0.10 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.51 3hhs h HIS 408 CO -0.13 0.58 0.53 0.00 0.86 0.00 0.00 177.93 179.77 3hhs h ALA 409 N 1.42 1.13 -0.19 2.45 0.00 -0.31 0.91 119.26 124.67 3hhs h ALA 409 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hhs h ALA 409 Cb 1.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hhs h ALA 409 CO 0.08 0.31 -0.09 2.35 0.00 0.00 0.00 179.25 181.90 3hhs h TRP 410 N 1.00 0.46 -0.60 0.00 7.01 -0.82 0.05 115.95 123.05 3hhs h TRP 410 Ca 0.35 -0.11 0.05 0.00 2.11 0.00 0.00 58.89 61.29 3hhs h TRP 410 Cb 0.09 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.00 3hhs h TRP 410 CO -0.03 0.69 0.32 0.28 -2.79 0.00 0.00 178.44 176.92 3hhs h VAL 411 N 0.10 0.97 -0.69 2.65 2.07 -1.29 -0.46 116.25 119.60 3hhs h VAL 411 Ca 0.04 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3hhs h VAL 411 Cb 0.57 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3hhs h VAL 411 CO 0.03 0.11 0.31 -0.78 0.02 0.00 0.00 177.57 177.26 3hhs h ASP 412 N 0.62 0.93 -0.77 0.57 3.58 -0.78 -1.98 116.42 118.58 3hhs h ASP 412 Ca 0.26 -0.15 0.07 0.00 0.42 0.00 0.00 57.03 57.63 3hhs h ASP 412 Cb 0.15 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 40.91 3hhs h ASP 412 CO -0.17 0.82 0.51 -0.78 -2.88 0.00 0.00 179.24 176.74 3hhs h ASP 413 N 0.97 0.73 0.07 2.28 3.58 -0.07 0.15 116.42 124.12 3hhs h ASP 413 Ca 0.23 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 3hhs h ASP 413 Cb 0.16 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3hhs h ASP 413 CO -0.03 0.47 -0.03 0.40 -2.88 0.00 0.00 179.24 177.17 3hhs h ILE 414 N 0.82 0.98 -0.97 2.25 1.08 -0.67 -0.05 117.51 120.95 3hhs h ILE 414 Ca 0.33 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.67 3hhs h ILE 414 Cb 0.25 1.07 -0.05 0.00 -3.07 0.00 0.00 36.82 35.02 3hhs h ILE 414 CO -0.12 0.03 0.64 -0.26 -0.69 0.00 0.00 178.15 177.76 3hhs h PHE 415 N -0.15 1.23 -0.34 1.37 0.04 -0.71 -2.53 116.94 115.85 3hhs h PHE 415 Ca -0.01 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 3hhs h PHE 415 Cb 0.12 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 3hhs h PHE 415 CO -0.05 0.78 -0.17 1.96 -0.60 0.00 0.00 178.31 180.23 3hhs h GLN 416 N 1.32 0.62 -0.40 1.51 1.08 -0.59 -0.83 115.11 117.83 3hhs h GLN 416 Ca 0.36 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 3hhs h GLN 416 Cb -0.14 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 3hhs h GLN 416 CO -0.08 0.76 0.19 0.66 -0.95 0.00 0.00 178.83 179.41 3hhs h SER 417 N 0.56 0.50 -0.06 1.46 4.64 -0.59 0.18 113.55 120.23 3hhs h SER 417 Ca 0.09 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3hhs h SER 417 Cb 0.61 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3hhs h SER 417 CO 0.04 0.43 -0.06 0.15 -0.87 0.00 0.00 176.83 176.52 3hhs h PHE 418 N 0.56 0.19 0.00 4.77 3.57 -1.14 -3.01 116.94 121.88 3hhs h PHE 418 Ca 0.14 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3hhs h PHE 418 Cb 0.07 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3hhs h PHE 418 CO 0.00 0.60 -0.10 0.87 -2.23 0.00 0.00 178.31 177.45 3hhs h LYS 419 N -0.28 0.00 -0.02 1.11 1.79 -0.40 -2.45 116.57 116.32 3hhs h LYS 419 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3hhs h LYS 419 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3hhs h LYS 419 CO 0.02 0.10 -0.01 0.39 -1.08 0.00 0.00 179.45 178.87 3hhs n GLU 420 N -4.19 1.79 -3.50 3.15 1.02 0.55 -4.52 120.64 114.95 3hhs n GLU 420 Ca -0.03 -1.16 -0.41 0.00 -0.02 0.00 0.00 57.16 55.54 3hhs n GLU 420 Cb 0.18 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 3hhs n GLU 420 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hhs s ALA 421 N -2.02 3.50 0.49 0.62 0.00 -0.92 -4.96 121.76 118.46 3hhs s ALA 421 Ca 0.35 -1.45 0.15 0.00 0.00 0.00 0.00 51.96 51.01 3hhs s ALA 421 Cb 0.21 -2.75 1.16 0.00 0.00 0.00 0.00 23.12 21.74 3hhs s ALA 421 CO 0.33 -1.11 2.09 -1.35 0.00 0.00 0.00 175.76 175.72 3hhs h PRO 422 N 8.53 0.17 0.00 0.00 0.11 -1.87 0.10 132.00 139.04 3hhs h PRO 422 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3hhs h PRO 422 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hhs h PRO 422 CO 0.67 0.11 0.00 1.12 -0.21 0.00 0.00 178.00 179.69 3hhs h HIS 423 N 0.18 0.00 0.01 0.65 2.07 -1.94 -3.30 115.15 112.81 3hhs h HIS 423 Ca 0.10 0.00 -0.42 0.00 -2.85 0.00 0.00 60.37 57.20 3hhs h HIS 423 Cb 0.17 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.08 3hhs h HIS 423 CO -0.00 0.00 -2.42 0.09 -3.07 0.00 0.00 177.93 172.53 3hhs n ASN 424 N -2.43 1.97 -3.73 3.10 3.02 0.21 -4.94 115.26 112.46 3hhs n ASN 424 Ca 0.03 0.12 -0.16 0.00 -0.03 0.00 0.00 54.58 54.54 3hhs n ASN 424 Cb 0.32 -0.65 -0.16 0.00 -0.61 0.00 0.00 39.78 38.68 3hhs n ASN 424 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hhs s VAL 425 N -2.51 -0.08 -0.12 2.41 1.01 -0.35 -5.02 120.40 115.73 3hhs s VAL 425 Ca -0.36 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 3hhs s VAL 425 Cb 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.31 3hhs s VAL 425 CO 0.56 0.11 0.29 -0.13 0.00 0.00 0.00 175.10 175.94 3hhs s ARG 426 N 1.45 4.07 0.49 2.72 0.52 -1.26 -4.04 118.95 122.90 3hhs s ARG 426 Ca -0.05 0.12 -0.21 0.00 -0.52 0.00 0.00 55.73 55.07 3hhs s ARG 426 Cb -0.12 -3.35 -0.10 0.00 0.52 0.00 0.00 34.95 31.90 3hhs s ARG 426 CO -0.04 0.40 0.72 -2.30 0.02 0.00 0.00 175.30 174.10 3hhs n PRO 427 N 3.01 0.80 -1.76 3.54 -0.02 -1.26 -4.89 135.00 134.41 3hhs n PRO 427 Ca -0.13 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 3hhs n PRO 427 Cb 0.52 -1.80 -0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3hhs n PRO 427 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hhs n TYR 428 N -1.15 2.91 -2.15 6.00 4.02 -1.26 -4.97 117.16 120.57 3hhs n TYR 428 Ca 0.11 0.40 -0.27 0.00 -0.01 0.00 0.00 57.90 58.13 3hhs n TYR 428 Cb 0.43 -2.54 0.06 0.00 -0.02 0.00 0.00 39.34 37.26 3hhs n TYR 428 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3hhs s SER 429 N 0.02 5.12 0.25 7.72 1.04 -1.26 -4.74 113.70 121.84 3hhs s SER 429 Ca 0.56 0.72 -0.04 0.00 0.48 0.00 0.00 55.95 57.67 3hhs s SER 429 Cb -0.49 -1.47 0.41 0.00 0.10 0.00 0.00 66.02 64.58 3hhs s SER 429 CO 0.60 -1.44 1.80 -0.09 0.98 0.00 0.00 173.24 175.09 3hhs h ARG 430 N -0.56 0.72 0.00 4.02 2.43 -1.99 -1.08 114.38 117.92 3hhs h ARG 430 Ca -0.45 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 3hhs h ARG 430 Cb 1.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3hhs h ARG 430 CO 0.62 0.48 -0.23 0.66 -1.51 0.00 0.00 179.97 179.99 3hhs h SER 431 N 0.74 0.00 1.57 -3.80 4.64 -1.94 -0.24 113.55 114.52 3hhs h SER 431 Ca 0.40 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 3hhs h SER 431 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3hhs h SER 431 CO -0.27 0.23 -0.09 1.56 -0.87 0.00 0.00 176.83 177.39 3hhs h GLN 432 N 0.00 0.00 0.00 4.77 4.20 -1.58 -3.36 115.11 119.14 3hhs h GLN 432 Ca -0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 3hhs h GLN 432 Cb 0.51 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.22 3hhs h GLN 432 CO 0.03 0.09 -2.39 1.28 -0.67 0.00 0.00 178.83 177.17 3hhs n LEU 433 N -3.15 0.15 -4.79 1.46 4.77 -0.70 -4.93 117.00 109.81 3hhs n LEU 433 Ca 0.02 -0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 3hhs n LEU 433 Cb 0.49 0.43 0.10 0.00 -2.33 0.00 0.00 43.42 42.11 3hhs n LEU 433 CO 0.33 0.52 0.71 -1.61 -1.33 0.00 0.00 177.39 176.01 3hhs s GLU 434 N -2.49 1.84 -0.40 3.23 2.02 -0.18 -4.82 118.70 117.89 3hhs s GLU 434 Ca -0.11 0.60 0.04 0.00 0.02 0.00 0.00 54.97 55.52 3hhs s GLU 434 Cb 0.06 -1.89 0.16 0.00 0.10 0.00 0.00 34.13 32.56 3hhs s GLU 434 CO 0.82 -1.78 0.41 1.21 0.02 0.00 0.00 175.26 175.93 3hhs s ASN 435 N -3.87 0.96 -0.01 -0.19 2.47 -1.26 -4.24 114.94 108.79 3hhs s ASN 435 Ca 0.62 -2.08 -0.37 0.00 0.42 0.00 0.00 52.86 51.45 3hhs s ASN 435 Cb -0.15 0.42 -0.15 0.00 -1.45 0.00 0.00 41.25 39.91 3hhs s ASN 435 CO 0.54 -0.20 1.54 -2.65 -3.72 0.00 0.00 177.10 172.61 3hhs n PRO 436 N 3.62 1.43 -0.16 0.43 -0.02 -1.26 -1.75 135.00 137.28 3hhs n PRO 436 Ca 0.18 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3hhs n PRO 436 Cb 0.47 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3hhs n PRO 436 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hhs n GLY 437 N 3.30 0.89 3.37 -1.23 0.00 -1.26 -4.64 105.19 105.61 3hhs n GLY 437 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3hhs n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhs s VAL 438 N -2.52 4.15 -0.26 1.61 1.01 -0.72 -0.37 120.40 123.30 3hhs s VAL 438 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3hhs s VAL 438 Cb 0.00 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.29 3hhs s VAL 438 CO 0.00 0.05 -0.09 -1.58 0.00 0.00 0.00 175.10 173.48 3hhs s GLN 439 N 1.53 2.03 -0.06 2.72 0.74 -0.08 -2.72 119.66 123.82 3hhs s GLN 439 Ca 0.03 -1.27 -0.30 0.00 0.05 0.00 0.00 55.36 53.87 3hhs s GLN 439 Cb -0.17 -2.82 -0.04 0.00 1.10 0.00 0.00 33.01 31.08 3hhs s GLN 439 CO 0.04 -0.60 1.43 0.08 -0.55 0.00 0.00 175.29 175.69 3hhs s VAL 440 N 1.18 3.85 -0.11 1.34 1.01 -0.28 -0.42 120.40 126.96 3hhs s VAL 440 Ca -0.07 1.13 0.15 0.00 0.00 0.00 0.00 61.98 63.19 3hhs s VAL 440 Cb -0.20 -3.73 -0.22 0.00 0.00 0.00 0.00 36.38 32.24 3hhs s VAL 440 CO -0.06 -0.06 0.17 0.35 0.00 0.00 0.00 175.10 175.50 3hhs n THR 441 N 5.09 0.71 -3.49 3.92 -2.24 0.32 -4.86 114.28 113.73 3hhs n THR 441 Ca 0.14 -0.57 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 3hhs n THR 441 Cb 0.44 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 3hhs n THR 441 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hhs s SER 442 N -4.60 -0.61 -0.02 3.42 1.04 -1.18 -4.99 113.70 106.77 3hhs s SER 442 Ca -0.07 0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.79 3hhs s SER 442 Cb 0.07 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.75 3hhs s SER 442 CO 0.67 -0.75 -0.05 -0.69 0.98 0.00 0.00 173.24 173.40 3hhs s VAL 443 N -2.20 0.47 0.08 5.02 1.01 -1.26 -0.88 120.40 122.64 3hhs s VAL 443 Ca -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3hhs s VAL 443 Cb -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 3hhs s VAL 443 CO 0.01 0.17 0.06 0.00 0.00 0.00 0.00 175.10 175.34 3hhs s ALA 444 N 0.38 0.30 0.03 5.51 0.00 -0.31 -4.82 121.76 122.85 3hhs s ALA 444 Ca -0.05 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 50.94 3hhs s ALA 444 Cb -0.08 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 3hhs s ALA 444 CO -0.00 -0.44 -0.22 0.14 0.00 0.00 0.00 175.76 175.24 3hhs s VAL 445 N -3.92 2.48 0.03 0.00 -7.23 -1.26 -1.30 120.40 109.20 3hhs s VAL 445 Ca 0.09 -1.21 0.03 0.00 -1.81 0.00 0.00 61.98 59.07 3hhs s VAL 445 Cb 0.07 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 3hhs s VAL 445 CO -0.08 0.40 -0.08 -1.61 -0.31 0.00 0.00 175.10 173.41 3hhs s GLU 446 N -1.20 0.57 -0.03 4.82 2.02 -0.28 -0.08 118.70 124.54 3hhs s GLU 446 Ca 0.13 -0.63 0.05 0.00 0.02 0.00 0.00 54.97 54.54 3hhs s GLU 446 Cb -0.10 -0.44 -0.01 0.00 0.10 0.00 0.00 34.13 33.68 3hhs s GLU 446 CO 0.03 0.10 -0.16 -1.12 0.02 0.00 0.00 175.26 174.12 3hhs s SER 447 N -1.16 1.99 -0.01 -0.19 0.01 -1.26 -0.70 113.70 112.37 3hhs s SER 447 Ca -0.05 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 56.60 3hhs s SER 447 Cb -0.08 -0.37 -0.06 0.00 0.21 0.00 0.00 66.02 65.72 3hhs s SER 447 CO 0.00 0.17 1.61 0.00 0.41 0.00 0.00 173.24 175.44 3hhs s ALA 448 N -0.18 3.63 0.00 1.44 0.00 -1.26 -1.63 121.76 123.76 3hhs s ALA 448 Ca 0.02 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.98 3hhs s ALA 448 Cb -0.09 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3hhs s ALA 448 CO 0.01 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.94 3hhs n GLY 449 N 4.01 0.67 3.75 0.00 0.00 -1.26 -4.96 105.19 107.39 3hhs n GLY 449 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3hhs n GLY 449 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hhs s GLY 450 N -1.97 2.91 0.20 -0.02 0.00 -0.65 -5.14 107.32 102.66 3hhs s GLY 450 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 44.72 43.95 3hhs s GLY 450 CO 0.00 -2.17 0.47 1.20 0.00 0.00 0.00 173.10 172.60 3hhs s GLN 451 N -3.88 3.67 -0.33 2.90 -0.21 -1.26 -4.65 119.66 115.91 3hhs s GLN 451 Ca 0.12 0.03 -0.44 0.00 0.02 0.00 0.00 55.36 55.08 3hhs s GLN 451 Cb 0.03 -2.74 -0.20 0.00 1.00 0.00 0.00 33.01 31.10 3hhs s GLN 451 CO 0.06 0.36 1.46 0.94 -2.12 0.00 0.00 175.29 175.99 3hhs n GLN 452 N -0.24 0.12 -2.44 2.91 7.27 -1.26 -3.05 117.38 120.69 3hhs n GLN 452 Ca -0.01 0.04 -0.15 0.00 0.07 0.00 0.00 57.00 56.95 3hhs n GLN 452 Cb 0.52 -1.56 0.00 0.00 2.41 0.00 0.00 30.24 31.62 3hhs n GLN 452 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3hhs n ASN 453 N 3.36 -4.59 -3.99 1.69 5.03 0.89 -4.98 115.26 112.67 3hhs n ASN 453 Ca 0.27 -0.07 -0.24 0.00 0.87 0.00 0.00 54.58 55.41 3hhs n ASN 453 Cb 0.00 -3.65 -0.17 0.00 -1.02 0.00 0.00 39.78 34.94 3hhs n ASN 453 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hhs s VAL 454 N -2.82 1.05 -0.15 2.41 1.01 -1.17 -1.78 120.40 118.96 3hhs s VAL 454 Ca 0.07 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3hhs s VAL 454 Cb -0.03 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3hhs s VAL 454 CO 0.08 0.34 0.08 -0.76 0.00 0.00 0.00 175.10 174.84 3hhs s LEU 455 N 0.84 3.99 -0.17 3.92 1.43 -0.02 -4.69 118.68 123.97 3hhs s LEU 455 Ca -0.11 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3hhs s LEU 455 Cb -0.15 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 3hhs s LEU 455 CO 0.02 0.29 -0.12 0.20 0.23 0.00 0.00 176.35 176.96 3hhs s ASN 456 N -0.31 3.87 0.32 2.29 -0.87 -1.26 -0.68 114.94 118.30 3hhs s ASN 456 Ca 0.09 -0.43 0.09 0.00 -1.57 0.00 0.00 52.86 51.04 3hhs s ASN 456 Cb -0.12 -1.62 -0.05 0.00 -0.02 0.00 0.00 41.25 39.45 3hhs s ASN 456 CO 0.01 0.07 0.08 0.42 -2.57 0.00 0.00 177.10 175.11 3hhs s THR 457 N 0.94 3.03 0.29 1.60 -4.23 -0.29 -0.60 115.64 116.39 3hhs s THR 457 Ca -0.02 -1.81 -0.15 0.00 -1.18 0.00 0.00 61.69 58.52 3hhs s THR 457 Cb -0.15 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 70.84 3hhs s THR 457 CO -0.01 -0.23 0.78 2.22 -0.54 0.00 0.00 174.62 176.84 3hhs n PHE 458 N -1.04 -1.91 -4.58 3.99 1.16 -0.35 -0.45 117.46 114.27 3hhs n PHE 458 Ca -0.04 -1.49 -0.33 0.00 -1.87 0.00 0.00 57.45 53.72 3hhs n PHE 458 Cb 0.61 0.74 -0.11 0.00 -1.61 0.00 0.00 39.48 39.11 3hhs n PHE 458 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3hhs s TRP 459 N -2.75 2.89 0.01 2.97 0.52 -0.66 -1.29 118.94 120.63 3hhs s TRP 459 Ca 0.16 -0.02 0.05 0.00 0.02 0.00 0.00 56.10 56.31 3hhs s TRP 459 Cb -0.04 -1.66 -0.02 0.00 -1.15 0.00 0.00 33.47 30.61 3hhs s TRP 459 CO 0.09 0.33 -0.14 1.41 0.02 0.00 0.00 176.95 178.66 3hhs s MET 460 N -1.07 1.08 -0.23 4.98 1.75 -0.13 -1.11 119.30 124.58 3hhs s MET 460 Ca 0.14 -0.62 -0.08 0.00 -1.25 0.00 0.00 55.69 53.88 3hhs s MET 460 Cb -0.11 -1.07 -0.04 0.00 2.84 0.00 0.00 34.83 36.45 3hhs s MET 460 CO 0.04 0.28 0.09 -0.65 -0.65 0.00 0.00 175.02 174.13 3hhs s GLN 461 N -0.67 3.86 0.15 4.11 -0.21 -0.39 -0.71 119.66 125.80 3hhs s GLN 461 Ca 0.04 -0.39 0.09 0.00 0.02 0.00 0.00 55.36 55.12 3hhs s GLN 461 Cb -0.06 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 3hhs s GLN 461 CO 0.00 0.02 -0.20 -1.12 -2.12 0.00 0.00 175.29 171.87 3hhs s SER 462 N 1.08 2.76 -0.11 5.90 0.01 0.01 -0.63 113.70 122.72 3hhs s SER 462 Ca 0.05 -0.80 -0.05 0.00 1.31 0.00 0.00 55.95 56.46 3hhs s SER 462 Cb -0.14 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 3hhs s SER 462 CO 0.04 0.03 0.08 -1.81 0.41 0.00 0.00 173.24 171.98 3hhs s ASP 463 N -2.38 5.85 0.01 2.44 1.01 -1.26 -0.93 116.67 121.41 3hhs s ASP 463 Ca 0.13 0.31 0.08 0.00 0.71 0.00 0.00 52.55 53.78 3hhs s ASP 463 Cb -0.08 -1.80 -0.02 0.00 1.01 0.00 0.00 42.92 42.03 3hhs s ASP 463 CO 0.06 0.39 -0.23 0.68 0.21 0.00 0.00 175.17 176.28 3hhs s VAL 464 N -0.91 1.85 -0.27 -1.27 -7.23 -0.41 -4.97 120.40 107.19 3hhs s VAL 464 Ca 0.14 -1.12 -0.20 0.00 -1.81 0.00 0.00 61.98 58.99 3hhs s VAL 464 Cb -0.12 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 3hhs s VAL 464 CO 0.03 0.41 0.60 0.21 -0.31 0.00 0.00 175.10 176.04 3hhs s ASN 465 N -0.84 6.52 0.00 4.85 2.47 -1.26 -1.19 114.94 125.48 3hhs s ASN 465 Ca 0.09 0.60 0.23 0.00 0.42 0.00 0.00 52.86 54.20 3hhs s ASN 465 Cb -0.09 -2.32 0.46 0.00 -1.45 0.00 0.00 41.25 37.85 3hhs s ASN 465 CO 0.00 -0.37 1.41 0.00 -3.72 0.00 0.00 177.10 174.42 3hhs n LEU 466 N 5.71 2.92 -0.31 3.21 -0.00 -0.11 -4.49 117.00 123.93 3hhs n LEU 466 Ca -0.02 -1.17 0.04 0.00 -0.00 0.00 0.00 56.01 54.87 3hhs n LEU 466 Cb 0.49 -0.15 0.19 0.00 -0.00 0.00 0.00 43.42 43.95 3hhs n LEU 466 CO 0.43 0.58 1.15 -1.28 -0.00 0.00 0.00 177.39 178.28 3hhs h SER 467 N 4.04 0.71 0.47 1.45 0.87 -1.84 -1.84 113.55 117.41 3hhs h SER 467 Ca 0.00 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3hhs h SER 467 Cb 0.88 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 3hhs h SER 467 CO 0.00 0.39 -0.10 0.11 -0.53 0.00 0.00 176.83 176.70 3hhs h LYS 468 N 0.81 0.00 -0.37 2.24 1.57 -1.83 -2.59 116.57 116.40 3hhs h LYS 468 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 3hhs h LYS 468 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3hhs h LYS 468 CO -0.27 0.10 0.00 0.41 -0.57 0.00 0.00 179.45 179.12 3hhs n GLY 469 N -0.55 1.67 3.37 3.86 0.00 -0.67 -0.43 105.19 112.44 3hhs n GLY 469 Ca -0.01 -0.74 -0.46 0.00 0.00 0.00 0.00 46.02 44.81 3hhs n GLY 469 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hhs s LEU 470 N -1.52 6.19 0.24 0.99 2.96 -0.98 -4.83 118.68 121.73 3hhs s LEU 470 Ca 0.38 -2.89 -0.31 0.00 -0.22 0.00 0.00 54.13 51.09 3hhs s LEU 470 Cb 0.23 -2.26 -0.12 0.00 0.50 0.00 0.00 46.19 44.53 3hhs s LEU 470 CO 0.32 -0.59 1.63 0.47 -1.32 0.00 0.00 176.35 176.87 3hhs n ASP 471 N 4.19 3.76 -0.97 3.68 8.00 -1.26 -2.38 116.55 131.57 3hhs n ASP 471 Ca 0.21 1.10 -0.13 0.00 0.71 0.00 0.00 54.79 56.69 3hhs n ASP 471 Cb 0.45 -1.56 -0.05 0.00 -0.02 0.00 0.00 41.12 39.93 3hhs n ASP 471 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hhs n PHE 472 N 3.00 0.00 -3.27 1.24 3.72 -1.26 -5.03 117.46 115.86 3hhs n PHE 472 Ca 0.13 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.22 3hhs n PHE 472 Cb 0.35 -2.48 -0.05 0.00 -0.94 0.00 0.00 39.48 36.37 3hhs n PHE 472 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3hhs s SER 473 N -2.69 6.58 0.93 4.37 0.01 -1.00 -5.09 113.70 116.81 3hhs s SER 473 Ca 0.00 0.95 -0.13 0.00 1.31 0.00 0.00 55.95 58.08 3hhs s SER 473 Cb 0.00 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 64.02 3hhs s SER 473 CO 0.00 -0.17 0.43 0.47 0.41 0.00 0.00 173.24 174.38 3hhs n ASP 474 N -0.55 -1.95 -1.95 2.44 8.00 -1.26 -5.02 116.55 116.26 3hhs n ASP 474 Ca 0.01 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.87 3hhs n ASP 474 Cb 0.53 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 3hhs n ASP 474 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hhs n ARG 475 N -1.63 0.67 0.00 -1.24 5.12 -1.26 -4.94 116.66 113.38 3hhs n ARG 475 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 3hhs n ARG 475 Cb 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 3hhs n ARG 475 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hhs n GLY 476 N 5.00 -1.06 3.77 -0.13 0.00 -1.26 -4.62 105.19 106.89 3hhs n GLY 476 Ca 0.00 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 3hhs n GLY 476 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hhs s PRO 477 N -4.16 3.83 -0.14 1.61 0.02 -1.26 -4.74 135.00 130.15 3hhs s PRO 477 Ca 0.00 2.38 -0.01 0.00 0.02 0.00 0.00 61.00 63.40 3hhs s PRO 477 Cb 0.00 -2.74 0.04 0.00 0.02 0.00 0.00 34.50 31.82 3hhs s PRO 477 CO 0.00 -0.69 -0.05 0.08 -0.33 0.00 0.00 177.00 176.01 3hhs s VAL 478 N -1.20 0.96 -0.07 3.83 1.01 -1.26 -4.53 120.40 119.13 3hhs s VAL 478 Ca 0.59 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 3hhs s VAL 478 Cb -0.43 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 3hhs s VAL 478 CO 0.56 0.18 0.09 -0.31 0.00 0.00 0.00 175.10 175.61 3hhs s TYR 479 N 1.71 3.38 -0.11 5.22 2.02 -1.26 -0.93 117.35 127.37 3hhs s TYR 479 Ca 0.02 0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 57.02 3hhs s TYR 479 Cb -0.14 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 3hhs s TYR 479 CO -0.08 0.60 0.03 0.00 -1.57 0.00 0.00 175.55 174.54 3hhs s ALA 480 N -1.05 3.39 -0.28 3.71 0.00 -0.34 -0.30 121.76 126.89 3hhs s ALA 480 Ca 0.17 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 3hhs s ALA 480 Cb -0.12 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.37 3hhs s ALA 480 CO 0.07 0.49 0.02 0.50 0.00 0.00 0.00 175.76 176.84 3hhs s ARG 481 N -0.58 2.85 0.16 0.00 3.52 0.97 -1.28 118.95 124.59 3hhs s ARG 481 Ca 0.10 -1.00 0.10 0.00 -0.13 0.00 0.00 55.73 54.81 3hhs s ARG 481 Cb -0.12 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 3hhs s ARG 481 CO 0.02 -0.48 -0.19 -0.59 -0.81 0.00 0.00 175.30 173.26 3hhs s PHE 482 N 1.39 2.46 -0.19 5.12 -0.12 -0.10 -1.03 117.98 125.51 3hhs s PHE 482 Ca 0.00 -0.30 -0.08 0.00 -0.05 0.00 0.00 56.93 56.51 3hhs s PHE 482 Cb -0.18 -1.25 -0.04 0.00 -0.63 0.00 0.00 43.02 40.93 3hhs s PHE 482 CO -0.00 0.46 0.08 0.99 -0.05 0.00 0.00 175.22 176.69 3hhs s THR 483 N -1.49 4.88 0.08 -4.49 2.01 -1.26 -0.81 115.64 114.56 3hhs s THR 483 Ca 0.21 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.23 3hhs s THR 483 Cb -0.09 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 3hhs s THR 483 CO 0.11 0.44 -0.07 -1.38 -0.69 0.00 0.00 174.62 173.04 3hhs s HIS 484 N 0.50 0.80 0.69 4.92 -3.43 0.11 -4.97 115.29 113.91 3hhs s HIS 484 Ca 0.04 -0.81 -0.16 0.00 -0.80 0.00 0.00 55.06 53.33 3hhs s HIS 484 Cb -0.12 -0.47 0.01 0.00 -1.43 0.00 0.00 32.58 30.57 3hhs s HIS 484 CO 0.00 -0.15 1.24 -1.17 -2.00 0.00 0.00 174.74 172.66 3hhs s LEU 485 N -2.63 3.44 0.28 5.38 2.96 -1.26 -0.96 118.68 125.90 3hhs s LEU 485 Ca 0.05 2.45 -0.16 0.00 -0.22 0.00 0.00 54.13 56.25 3hhs s LEU 485 Cb 0.01 -4.60 0.01 0.00 0.50 0.00 0.00 46.19 42.11 3hhs s LEU 485 CO -0.04 -2.10 0.62 0.21 -1.32 0.00 0.00 176.35 173.72 3hhs s ASN 486 N -1.76 -0.11 0.08 3.68 3.84 -0.41 -4.63 114.94 115.62 3hhs s ASN 486 Ca 0.78 -0.83 0.03 0.00 0.21 0.00 0.00 52.86 53.05 3hhs s ASN 486 Cb -0.32 0.68 -0.03 0.00 -0.55 0.00 0.00 41.25 41.03 3hhs s ASN 486 CO 0.42 -1.30 -0.08 -1.38 -2.79 0.00 0.00 177.10 171.96 3hhs s HIS 487 N -3.76 0.89 0.26 0.43 -3.43 -1.26 -1.22 115.29 107.20 3hhs s HIS 487 Ca 0.17 -0.67 -0.29 0.00 -0.80 0.00 0.00 55.06 53.46 3hhs s HIS 487 Cb -0.04 -0.51 -0.09 0.00 -1.43 0.00 0.00 32.58 30.52 3hhs s HIS 487 CO 0.09 -0.07 1.17 1.03 -2.00 0.00 0.00 174.74 174.96 3hhs s ARG 488 N -2.65 4.54 0.52 -0.38 1.81 0.24 -4.98 118.95 118.05 3hhs s ARG 488 Ca 0.02 1.90 -0.22 0.00 -1.72 0.00 0.00 55.73 55.71 3hhs s ARG 488 Cb -0.03 -3.18 -0.07 0.00 -0.45 0.00 0.00 34.95 31.22 3hhs s ARG 488 CO -0.01 0.05 1.20 -0.35 -0.68 0.00 0.00 175.30 175.51 3hhs n PRO 489 N 1.55 1.51 -4.15 3.54 -0.04 -1.26 -4.72 135.00 131.42 3hhs n PRO 489 Ca 0.01 0.55 -0.12 0.00 -0.04 0.00 0.00 63.50 63.90 3hhs n PRO 489 Cb 0.44 -2.37 -0.08 0.00 -0.04 0.00 0.00 33.50 31.45 3hhs n PRO 489 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3hhs s PHE 490 N -1.32 1.03 0.06 0.54 -0.12 -1.26 -4.12 117.98 112.79 3hhs s PHE 490 Ca 0.69 -1.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.34 3hhs s PHE 490 Cb -0.45 -0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 41.54 3hhs s PHE 490 CO 0.52 -0.79 -0.07 -0.98 -0.05 0.00 0.00 175.22 173.85 3hhs s ARG 491 N -3.96 0.62 0.06 1.99 1.70 0.12 -0.51 118.95 118.97 3hhs s ARG 491 Ca 0.35 -0.95 -0.16 0.00 -0.47 0.00 0.00 55.73 54.49 3hhs s ARG 491 Cb 0.04 -0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 34.13 3hhs s ARG 491 CO 0.14 0.02 0.50 0.71 -1.08 0.00 0.00 175.30 175.58 3hhs s TYR 492 N -2.20 3.73 -0.19 5.89 2.02 0.12 -1.12 117.35 125.60 3hhs s TYR 492 Ca -0.03 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.78 3hhs s TYR 492 Cb -0.04 -2.38 0.05 0.00 -0.40 0.00 0.00 41.96 39.18 3hhs s TYR 492 CO -0.02 0.58 -0.06 0.08 -1.57 0.00 0.00 175.55 174.56 3hhs s VAL 493 N -1.18 1.33 -0.15 0.71 1.01 -0.42 -1.70 120.40 120.00 3hhs s VAL 493 Ca 0.29 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3hhs s VAL 493 Cb -0.17 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.69 3hhs s VAL 493 CO 0.17 0.06 -0.19 -0.63 0.00 0.00 0.00 175.10 174.51 3hhs s ILE 494 N 1.52 2.31 -0.10 2.22 1.01 -0.14 -1.16 121.20 126.86 3hhs s ILE 494 Ca -0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 3hhs s ILE 494 Cb -0.17 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 3hhs s ILE 494 CO -0.07 0.53 0.02 -0.54 0.00 0.00 0.00 174.94 174.88 3hhs s LYS 495 N 0.89 3.12 -0.11 2.79 -0.14 -0.06 -0.34 119.74 125.88 3hhs s LYS 495 Ca -0.05 -0.36 -0.09 0.00 -1.36 0.00 0.00 55.97 54.10 3hhs s LYS 495 Cb -0.15 -2.88 0.03 0.00 -1.68 0.00 0.00 37.83 33.16 3hhs s LYS 495 CO -0.03 0.68 0.30 0.00 -0.76 0.00 0.00 175.35 175.54 3hhs s ALA 496 N -0.81 -0.73 -0.27 5.17 0.00 -0.51 -0.52 121.76 124.09 3hhs s ALA 496 Ca 0.13 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 52.87 3hhs s ALA 496 Cb -0.12 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3hhs s ALA 496 CO 0.02 -0.16 0.28 1.21 0.00 0.00 0.00 175.76 177.11 3hhs s ASN 497 N 0.42 6.13 -0.60 0.00 2.47 0.44 0.03 114.94 123.82 3hhs s ASN 497 Ca -0.02 0.13 -0.14 0.00 0.42 0.00 0.00 52.86 53.25 3hhs s ASN 497 Cb -0.04 -2.16 0.15 0.00 -1.45 0.00 0.00 41.25 37.75 3hhs s ASN 497 CO -0.02 -0.11 0.54 0.21 -3.72 0.00 0.00 177.10 174.00 3hhs s ASN 498 N 1.70 6.22 0.38 -4.21 3.04 0.21 -0.90 114.94 121.38 3hhs s ASN 498 Ca 0.11 -2.07 0.25 0.00 0.04 0.00 0.00 52.86 51.19 3hhs s ASN 498 Cb -0.16 -2.17 0.65 0.00 -1.54 0.00 0.00 41.25 38.03 3hhs s ASN 498 CO 0.10 -0.75 1.71 0.71 -3.04 0.00 0.00 177.10 175.84 3hhs h THR 499 N 5.63 0.00 -3.02 -5.21 1.35 -1.00 0.20 112.91 110.86 3hhs h THR 499 Ca -0.18 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 3hhs h THR 499 Cb 1.08 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3hhs h THR 499 CO 0.93 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.20 3hhs n ALA 500 N -1.99 0.00 0.57 6.62 0.00 -1.23 -4.95 120.51 119.52 3hhs n ALA 500 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.60 3hhs n ALA 500 Cb 0.45 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.12 3hhs n ALA 500 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hhs h SER 501 N 0.00 0.00 -1.84 0.00 4.64 -1.92 -3.47 113.55 110.96 3hhs h SER 501 Ca 0.00 -0.16 -0.65 0.00 -0.47 0.00 0.00 61.79 60.51 3hhs h SER 501 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 3hhs h SER 501 CO 0.00 0.08 0.56 0.00 -0.87 0.00 0.00 176.83 176.60 3hhs n ALA 502 N -1.83 -0.30 -0.05 5.18 0.00 -1.26 -4.87 120.51 117.38 3hhs n ALA 502 Ca 0.04 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3hhs n ALA 502 Cb 0.44 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3hhs n ALA 502 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hhs n ARG 503 N 2.86 0.63 -3.78 0.00 5.12 -1.26 -4.74 116.66 115.48 3hhs n ARG 503 Ca 0.18 -0.88 -0.12 0.00 -1.93 0.00 0.00 57.85 55.10 3hhs n ARG 503 Cb 0.22 -0.98 -0.08 0.00 -1.16 0.00 0.00 32.46 30.46 3hhs n ARG 503 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3hhs s ARG 504 N -0.39 0.73 0.06 5.56 0.52 -1.26 -0.91 118.95 123.26 3hhs s ARG 504 Ca 0.00 -0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.59 3hhs s ARG 504 Cb 0.00 0.31 0.03 0.00 0.52 0.00 0.00 34.95 35.82 3hhs s ARG 504 CO 0.00 -0.22 0.39 -0.08 0.02 0.00 0.00 175.30 175.41 3hhs s THR 505 N -2.19 0.07 -0.23 0.02 -1.32 -0.33 -4.31 115.64 107.34 3hhs s THR 505 Ca -0.08 -0.54 -0.12 0.00 -1.21 0.00 0.00 61.69 59.74 3hhs s THR 505 Cb -0.02 -1.01 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 3hhs s THR 505 CO -0.01 -0.30 0.23 -0.89 -2.21 0.00 0.00 174.62 171.44 3hhs s THR 506 N -2.84 5.31 -0.16 5.08 2.01 -1.15 -1.28 115.64 122.61 3hhs s THR 506 Ca -0.03 0.32 -0.23 0.00 0.31 0.00 0.00 61.69 62.07 3hhs s THR 506 Cb 0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 3hhs s THR 506 CO -0.05 0.31 0.70 -0.69 -0.69 0.00 0.00 174.62 174.20 3hhs s VAL 507 N 1.21 4.99 -0.14 3.82 1.01 0.38 -0.97 120.40 130.70 3hhs s VAL 507 Ca 0.11 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.47 3hhs s VAL 507 Cb -0.14 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.24 3hhs s VAL 507 CO 0.06 0.13 -0.17 -0.13 0.00 0.00 0.00 175.10 174.99 3hhs s ARG 508 N 1.67 2.55 -0.10 2.72 0.52 -0.30 -1.59 118.95 124.43 3hhs s ARG 508 Ca 0.33 -0.67 0.04 0.00 -0.52 0.00 0.00 55.73 54.91 3hhs s ARG 508 Cb -0.16 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.11 3hhs s ARG 508 CO 0.13 -0.14 -0.22 0.42 0.02 0.00 0.00 175.30 175.51 3hhs s ILE 509 N 1.18 1.94 0.05 1.52 1.01 -0.72 -1.07 121.20 125.12 3hhs s ILE 509 Ca -0.01 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.71 3hhs s ILE 509 Cb -0.14 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 3hhs s ILE 509 CO -0.07 0.53 -0.06 -0.36 0.00 0.00 0.00 174.94 174.98 3hhs s PHE 510 N 0.42 0.65 0.13 3.97 0.08 -0.51 -0.32 117.98 122.40 3hhs s PHE 510 Ca -0.18 -0.64 0.05 0.00 0.12 0.00 0.00 56.93 56.28 3hhs s PHE 510 Cb -0.18 -0.40 -0.04 0.00 -0.57 0.00 0.00 43.02 41.84 3hhs s PHE 510 CO 0.08 -0.14 -0.12 0.96 -0.10 0.00 0.00 175.22 175.90 3hhs s ILE 511 N -2.08 1.18 -0.03 0.64 -4.36 -0.58 -0.97 121.20 114.99 3hhs s ILE 511 Ca -0.05 -1.82 -0.23 0.00 -0.26 0.00 0.00 60.65 58.29 3hhs s ILE 511 Cb -0.05 -1.60 0.05 0.00 1.25 0.00 0.00 42.46 42.10 3hhs s ILE 511 CO -0.02 -0.57 0.49 0.00 0.24 0.00 0.00 174.94 175.08 3hhs s ALA 512 N -2.63 -1.26 0.37 2.27 0.00 -0.81 -0.43 121.76 119.26 3hhs s ALA 512 Ca 0.11 0.82 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 3hhs s ALA 512 Cb -0.02 0.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.02 3hhs s ALA 512 CO 0.02 -0.31 1.50 -1.25 0.00 0.00 0.00 175.76 175.71 3hhs s PRO 513 N -1.24 4.11 0.35 0.00 0.04 -1.26 0.11 135.00 137.12 3hhs s PRO 513 Ca -0.12 2.57 0.07 0.00 0.04 0.00 0.00 61.00 63.56 3hhs s PRO 513 Cb -0.03 -2.97 0.67 0.00 0.04 0.00 0.00 34.50 32.21 3hhs s PRO 513 CO 0.07 -0.54 1.86 -0.22 0.04 0.00 0.00 177.00 178.21 3hhs h LYS 514 N 3.15 0.33 -5.35 4.56 3.64 -1.56 -3.44 116.57 117.91 3hhs h LYS 514 Ca -0.51 -0.09 -0.44 0.00 -1.27 0.00 0.00 60.65 58.34 3hhs h LYS 514 Cb 1.24 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.88 3hhs h LYS 514 CO 0.65 0.48 -0.67 0.95 -2.27 0.00 0.00 179.45 178.58 3hhs s THR 515 N -4.71 1.42 0.00 1.00 -4.23 -1.26 -4.23 115.64 103.64 3hhs s THR 515 Ca -0.06 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 3hhs s THR 515 Cb 0.15 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.64 3hhs s THR 515 CO 0.75 -0.35 0.00 -0.90 -0.54 0.00 0.00 174.62 173.58 3hhs n ASP 516 N -0.49 0.00 0.28 3.99 5.68 -0.69 -4.86 116.55 120.46 3hhs n ASP 516 Ca -0.06 -0.50 0.15 0.00 -0.50 0.00 0.00 54.79 53.88 3hhs n ASP 516 Cb 0.63 0.00 0.84 0.00 -1.14 0.00 0.00 41.12 41.45 3hhs n ASP 516 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hhs h GLU 517 N 0.00 0.00 -0.11 0.11 3.07 -1.93 -1.28 114.58 114.43 3hhs h GLU 517 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hhs h GLU 517 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3hhs h GLU 517 CO 0.00 0.06 0.00 0.54 -1.40 0.00 0.00 179.01 178.21 3hhs n ARG 518 N -3.66 1.64 -3.23 2.33 1.74 -1.26 -4.91 116.66 109.31 3hhs n ARG 518 Ca -0.02 -0.95 -0.23 0.00 -0.77 0.00 0.00 57.85 55.88 3hhs n ARG 518 Cb 0.16 -1.41 0.05 0.00 -1.02 0.00 0.00 32.46 30.25 3hhs n ARG 518 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3hhs n ASN 519 N 0.16 -6.19 -4.41 0.55 5.15 -0.48 -5.03 115.26 105.01 3hhs n ASN 519 Ca 0.17 -0.38 -0.26 0.00 -0.60 0.00 0.00 54.58 53.51 3hhs n ASN 519 Cb 0.31 -4.93 -0.12 0.00 -0.53 0.00 0.00 39.78 34.51 3hhs n ASN 519 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3hhs s LEU 520 N -6.82 2.43 0.55 1.20 1.43 -1.26 -4.82 118.68 111.38 3hhs s LEU 520 Ca 0.41 -0.86 -0.21 0.00 -1.03 0.00 0.00 54.13 52.43 3hhs s LEU 520 Cb -0.18 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 3hhs s LEU 520 CO 0.50 0.10 1.32 -2.16 0.23 0.00 0.00 176.35 176.34 3hhs s PRO 521 N -2.68 3.14 0.38 1.29 0.04 -1.26 -1.70 135.00 134.21 3hhs s PRO 521 Ca 0.20 2.13 -0.23 0.00 0.04 0.00 0.00 61.00 63.13 3hhs s PRO 521 Cb -0.08 -2.20 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 3hhs s PRO 521 CO 0.09 -1.16 0.95 -1.58 0.04 0.00 0.00 177.00 175.34 3hhs s TRP 522 N -1.36 3.47 0.29 0.56 0.52 -1.26 -4.84 118.94 116.33 3hhs s TRP 522 Ca 0.72 1.69 -0.29 0.00 0.02 0.00 0.00 56.10 58.24 3hhs s TRP 522 Cb -0.38 -2.89 -0.10 0.00 -1.15 0.00 0.00 33.47 28.95 3hhs s TRP 522 CO 0.44 0.01 1.24 0.00 0.02 0.00 0.00 176.95 178.66 3hhs s ALA 523 N -1.92 3.47 0.41 0.98 0.00 -1.26 -4.78 121.76 118.65 3hhs s ALA 523 Ca 0.57 1.12 0.08 0.00 0.00 0.00 0.00 51.96 53.72 3hhs s ALA 523 Cb -0.14 -3.43 0.85 0.00 0.00 0.00 0.00 23.12 20.41 3hhs s ALA 523 CO 0.18 -0.46 2.03 1.25 0.00 0.00 0.00 175.76 178.76 3hhs h LEU 524 N 3.82 0.41 -1.82 0.00 5.85 -1.46 0.34 115.31 122.46 3hhs h LEU 524 Ca -0.48 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.31 3hhs h LEU 524 Cb 1.22 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3hhs h LEU 524 CO 0.68 0.35 0.31 0.77 -0.34 0.00 0.00 178.44 180.21 3hhs h SER 525 N 0.47 0.18 0.08 1.25 4.64 -1.90 0.88 113.55 119.16 3hhs h SER 525 Ca 0.12 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.13 3hhs h SER 525 Cb 0.04 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3hhs h SER 525 CO -0.02 0.11 -1.70 0.44 -0.87 0.00 0.00 176.83 174.80 3hhs h ASP 526 N 0.20 0.27 0.49 4.97 3.32 -1.73 -3.40 116.42 120.54 3hhs h ASP 526 Ca 0.21 -0.78 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 3hhs h ASP 526 Cb 0.57 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 3hhs h ASP 526 CO -0.04 1.72 -0.14 -0.61 -1.72 0.00 0.00 179.24 178.45 3hhs h GLN 527 N -0.34 0.00 -0.23 3.56 4.15 -0.69 -2.65 115.11 118.91 3hhs h GLN 527 Ca -0.39 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.05 3hhs h GLN 527 Cb 1.76 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.43 3hhs h GLN 527 CO -0.02 0.14 0.16 0.07 -1.93 0.00 0.00 178.83 177.25 3hhs h ARG 528 N 0.00 0.21 -0.00 1.69 0.11 -1.04 -0.82 114.38 114.54 3hhs h ARG 528 Ca -0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3hhs h ARG 528 Cb 0.43 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3hhs h ARG 528 CO 0.02 0.14 -0.13 1.63 0.10 0.00 0.00 179.97 181.73 3hhs n LYS 529 N -4.50 0.17 0.01 0.08 5.02 -1.00 -3.45 118.16 114.48 3hhs n LYS 529 Ca 0.01 -0.04 0.11 0.00 -2.02 0.00 0.00 58.31 56.37 3hhs n LYS 529 Cb 0.15 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 3hhs n LYS 529 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3hhs n MET 530 N -1.38 0.20 -2.15 1.97 2.81 -0.34 -4.46 117.12 113.76 3hhs n MET 530 Ca 0.09 -0.03 -0.43 0.00 -1.81 0.00 0.00 57.70 55.52 3hhs n MET 530 Cb 0.32 -1.53 -0.02 0.00 -0.71 0.00 0.00 33.22 31.27 3hhs n MET 530 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3hhs s PHE 531 N -3.15 2.25 -0.22 2.03 0.08 -1.01 -4.56 117.98 113.42 3hhs s PHE 531 Ca 0.04 0.51 -0.08 0.00 0.12 0.00 0.00 56.93 57.52 3hhs s PHE 531 Cb 0.15 -3.82 -0.04 0.00 -0.57 0.00 0.00 43.02 38.74 3hhs s PHE 531 CO 0.84 -3.01 0.10 0.96 -0.10 0.00 0.00 175.22 174.01 3hhs s ILE 532 N 4.20 4.88 0.04 0.64 -4.36 0.43 -4.89 121.20 122.14 3hhs s ILE 532 Ca 0.68 0.01 -0.31 0.00 -0.26 0.00 0.00 60.65 60.77 3hhs s ILE 532 Cb -0.28 -3.25 -0.06 0.00 1.25 0.00 0.00 42.46 40.12 3hhs s ILE 532 CO 0.25 0.39 1.36 -0.70 0.24 0.00 0.00 174.94 176.48 3hhs s GLU 533 N 0.91 4.32 -0.12 0.37 2.12 -1.26 -1.53 118.70 123.50 3hhs s GLU 533 Ca 0.05 1.96 0.13 0.00 0.36 0.00 0.00 54.97 57.48 3hhs s GLU 533 Cb -0.13 -3.44 -0.19 0.00 0.26 0.00 0.00 34.13 30.63 3hhs s GLU 533 CO 0.03 -0.48 0.10 -1.33 -0.54 0.00 0.00 175.26 173.04 3hhs n MET 534 N 4.70 1.43 -3.53 4.30 2.81 0.56 -4.97 117.12 122.42 3hhs n MET 534 Ca 0.12 -0.03 -0.07 0.00 -1.81 0.00 0.00 57.70 55.90 3hhs n MET 534 Cb 0.44 -1.37 -0.02 0.00 -0.71 0.00 0.00 33.22 31.55 3hhs n MET 534 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3hhs s ASP 535 N -4.60 -0.30 -0.30 7.83 -1.08 -1.18 -4.60 116.67 112.43 3hhs s ASP 535 Ca -0.07 0.02 -0.10 0.00 -0.52 0.00 0.00 52.55 51.88 3hhs s ASP 535 Cb 0.05 0.31 0.15 0.00 -1.46 0.00 0.00 42.92 41.97 3hhs s ASP 535 CO 0.60 -0.50 0.72 -0.60 0.52 0.00 0.00 175.17 175.91 3hhs s ARG 536 N -2.82 0.51 -0.23 4.34 3.52 -1.25 -1.75 118.95 121.27 3hhs s ARG 536 Ca 0.06 1.23 -0.26 0.00 -0.13 0.00 0.00 55.73 56.62 3hhs s ARG 536 Cb -0.01 0.73 0.08 0.00 -1.56 0.00 0.00 34.95 34.19 3hhs s ARG 536 CO -0.07 -0.24 0.76 -0.59 -0.81 0.00 0.00 175.30 174.35 3hhs s PHE 537 N 2.81 -0.71 -0.01 5.12 -0.71 -0.62 -4.63 117.98 119.23 3hhs s PHE 537 Ca -0.01 1.65 -0.25 0.00 -1.04 0.00 0.00 56.93 57.27 3hhs s PHE 537 Cb -0.11 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 3hhs s PHE 537 CO -0.19 -0.40 0.78 0.08 -1.34 0.00 0.00 175.22 174.15 3hhs s VAL 538 N 0.04 4.90 0.14 -2.49 1.01 -1.26 -0.47 120.40 122.26 3hhs s VAL 538 Ca -0.02 1.63 0.07 0.00 0.00 0.00 0.00 61.98 63.66 3hhs s VAL 538 Cb -0.04 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3hhs s VAL 538 CO 0.02 0.28 -0.16 0.68 0.00 0.00 0.00 175.10 175.91 3hhs s VAL 539 N 0.52 1.52 0.55 2.92 -7.23 -0.40 -4.96 120.40 113.32 3hhs s VAL 539 Ca 0.41 -1.78 -0.19 0.00 -1.81 0.00 0.00 61.98 58.61 3hhs s VAL 539 Cb -0.19 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 3hhs s VAL 539 CO 0.22 -0.36 1.10 -2.16 -0.31 0.00 0.00 175.10 173.58 3hhs s PRO 540 N -2.67 3.37 -0.00 4.82 0.04 -1.26 -1.19 135.00 138.10 3hhs s PRO 540 Ca 0.11 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.70 3hhs s PRO 540 Cb -0.05 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3hhs s PRO 540 CO 0.04 -0.81 -0.22 -0.51 0.04 0.00 0.00 177.00 175.55 3hhs s LEU 541 N -3.96 2.33 0.48 -3.56 1.43 -0.08 -4.83 118.68 110.47 3hhs s LEU 541 Ca 0.70 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3hhs s LEU 541 Cb -0.21 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.62 3hhs s LEU 541 CO 0.29 0.30 0.67 -0.94 0.23 0.00 0.00 176.35 176.90 3hhs s SER 542 N -0.89 5.51 0.40 2.29 1.04 -1.26 -4.47 113.70 116.32 3hhs s SER 542 Ca 0.11 -0.16 -0.25 0.00 0.48 0.00 0.00 55.95 56.13 3hhs s SER 542 Cb -0.10 -0.86 -0.08 0.00 0.10 0.00 0.00 66.02 65.07 3hhs s SER 542 CO 0.01 -0.92 1.20 0.00 0.98 0.00 0.00 173.24 174.51 3hhs s ALA 543 N -2.55 3.17 0.00 5.32 0.00 -1.26 -4.63 121.76 121.81 3hhs s ALA 543 Ca 0.55 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3hhs s ALA 543 Cb -0.10 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3hhs s ALA 543 CO 0.36 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3hhs n GLY 544 N 0.65 -0.01 3.71 0.00 0.00 0.06 -4.90 105.19 104.70 3hhs n GLY 544 Ca 0.04 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 3hhs n GLY 544 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hhs s GLU 545 N 0.00 4.29 0.02 1.61 0.41 -1.26 -0.62 118.70 123.15 3hhs s GLU 545 Ca 0.00 2.14 0.07 0.00 -0.41 0.00 0.00 54.97 56.76 3hhs s GLU 545 Cb 0.00 -3.28 -0.02 0.00 -1.78 0.00 0.00 34.13 29.05 3hhs s GLU 545 CO 0.00 -0.50 -0.20 -0.80 -0.49 0.00 0.00 175.26 173.27 3hhs s ASN 546 N 1.25 2.33 -0.17 -0.19 0.01 0.10 -4.89 114.94 113.39 3hhs s ASN 546 Ca 0.66 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 3hhs s ASN 546 Cb -0.38 -0.21 0.03 0.00 0.41 0.00 0.00 41.25 41.10 3hhs s ASN 546 CO 0.30 0.17 -0.11 -0.89 -1.51 0.00 0.00 177.10 175.07 3hhs s THR 547 N -0.69 1.53 -0.26 1.60 2.01 -1.26 -1.42 115.64 117.15 3hhs s THR 547 Ca 0.07 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 3hhs s THR 547 Cb -0.08 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 3hhs s THR 547 CO 0.01 0.27 0.11 -0.63 -0.69 0.00 0.00 174.62 173.69 3hhs s ILE 548 N 1.47 4.63 -0.12 1.82 1.01 0.54 -4.97 121.20 125.58 3hhs s ILE 548 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.61 3hhs s ILE 548 Cb -0.15 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 3hhs s ILE 548 CO -0.09 0.32 -0.14 -0.89 0.00 0.00 0.00 174.94 174.14 3hhs s THR 549 N 1.62 3.01 -0.05 2.92 2.01 -1.26 -0.97 115.64 122.93 3hhs s THR 549 Ca 0.06 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 3hhs s THR 549 Cb -0.15 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.14 3hhs s THR 549 CO 0.06 0.54 0.04 -0.60 -0.69 0.00 0.00 174.62 173.96 3hhs s ARG 550 N 0.18 0.14 0.37 4.92 6.06 -0.69 -4.98 118.95 124.95 3hhs s ARG 550 Ca -0.08 0.27 -0.26 0.00 -2.50 0.00 0.00 55.73 53.17 3hhs s ARG 550 Cb -0.15 -0.62 -0.09 0.00 0.06 0.00 0.00 34.95 34.15 3hhs s ARG 550 CO 0.05 -0.30 1.10 -0.65 -2.50 0.00 0.00 175.30 173.00 3hhs s GLN 551 N 1.97 4.23 0.55 5.12 -1.52 -1.26 0.13 119.66 128.88 3hhs s GLN 551 Ca 0.03 1.69 0.24 0.00 -1.95 0.00 0.00 55.36 55.38 3hhs s GLN 551 Cb -0.12 -2.74 1.48 0.00 -0.22 0.00 0.00 33.01 31.41 3hhs s GLN 551 CO -0.04 -0.12 2.09 0.66 -0.25 0.00 0.00 175.29 177.63 3hhs h SER 552 N 2.85 0.00 0.96 5.90 4.64 -1.16 -1.34 113.55 125.40 3hhs h SER 552 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3hhs h SER 552 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3hhs h SER 552 CO 0.63 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.94 3hhs n THR 553 N -4.18 0.68 1.33 2.95 -2.24 -1.26 -3.21 114.28 108.34 3hhs n THR 553 Ca 0.03 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 3hhs n THR 553 Cb 0.34 -0.88 0.42 0.00 -2.10 0.00 0.00 70.33 68.12 3hhs n THR 553 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hhs n GLU 554 N -2.05 1.15 -1.56 -0.78 1.02 -0.50 -4.99 120.64 112.94 3hhs n GLU 554 Ca 0.04 -0.68 -0.54 0.00 -0.02 0.00 0.00 57.16 55.96 3hhs n GLU 554 Cb 0.30 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 3hhs n GLU 554 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hhs n SER 555 N -0.33 1.06 -0.07 1.62 2.88 -1.20 -4.85 113.62 112.73 3hhs n SER 555 Ca 0.15 1.13 0.10 0.00 -1.33 0.00 0.00 58.87 58.92 3hhs n SER 555 Cb 0.36 -1.10 0.56 0.00 -0.75 0.00 0.00 64.21 63.27 3hhs n SER 555 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3hhs n SER 556 N 2.15 0.21 0.02 -3.46 3.41 -1.26 -3.06 113.62 111.64 3hhs n SER 556 Ca 0.19 -1.42 -0.05 0.00 -0.26 0.00 0.00 58.87 57.33 3hhs n SER 556 Cb 0.16 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 3hhs n SER 556 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3hhs h LEU 557 N 0.28 0.00 -9.86 1.04 5.85 -1.88 -2.76 115.31 107.98 3hhs h LEU 557 Ca 0.00 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.15 3hhs h LEU 557 Cb 0.06 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 3hhs h LEU 557 CO 0.00 0.84 -0.51 0.42 -0.34 0.00 0.00 178.44 178.84 3hhs s THR 558 N -2.74 2.42 0.11 1.05 -4.23 -1.17 -2.36 115.64 108.72 3hhs s THR 558 Ca -0.02 -1.72 0.09 0.00 -1.18 0.00 0.00 61.69 58.85 3hhs s THR 558 Cb 0.08 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 3hhs s THR 558 CO 0.81 -0.04 -0.22 0.27 -0.54 0.00 0.00 174.62 174.90 3hhs s ILE 559 N -2.57 1.80 0.79 2.99 -4.36 -0.69 -4.50 121.20 114.66 3hhs s ILE 559 Ca 0.40 -1.57 -0.11 0.00 -0.26 0.00 0.00 60.65 59.11 3hhs s ILE 559 Cb 0.03 -1.63 0.07 0.00 1.25 0.00 0.00 42.46 42.18 3hhs s ILE 559 CO 0.22 -0.03 1.09 -2.16 0.24 0.00 0.00 174.94 174.31 3hhs s PRO 560 N -1.91 2.09 0.26 0.37 0.04 -1.26 -1.97 135.00 132.62 3hhs s PRO 560 Ca 0.08 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.24 3hhs s PRO 560 Cb -0.10 -1.88 0.57 0.00 0.04 0.00 0.00 34.50 33.13 3hhs s PRO 560 CO 0.04 -1.75 1.66 0.35 0.04 0.00 0.00 177.00 177.34 3hhs h PHE 561 N -1.21 0.27 0.00 0.56 3.57 -1.98 -0.66 116.94 117.49 3hhs h PHE 561 Ca -0.44 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3hhs h PHE 561 Cb 1.24 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3hhs h PHE 561 CO 0.56 -0.16 0.00 -0.85 -2.23 0.00 0.00 178.31 175.63 3hhs n GLU 562 N -5.21 0.27 -0.10 1.11 0.28 -1.26 -0.62 120.64 115.10 3hhs n GLU 562 Ca 0.17 0.11 -0.14 0.00 -0.16 0.00 0.00 57.16 57.14 3hhs n GLU 562 Cb 0.56 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.83 3hhs n GLU 562 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3hhs n GLN 563 N -1.27 0.54 -0.14 3.44 7.27 -0.31 -4.22 117.38 122.69 3hhs n GLN 563 Ca 0.09 0.12 -0.07 0.00 0.07 0.00 0.00 57.00 57.21 3hhs n GLN 563 Cb 0.14 -1.42 0.02 0.00 2.41 0.00 0.00 30.24 31.39 3hhs n GLN 563 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 3hhs h THR 564 N 0.00 1.05 -2.17 1.69 2.02 -1.12 -3.45 112.91 110.93 3hhs h THR 564 Ca -0.47 -0.18 -0.57 0.00 0.77 0.00 0.00 66.41 65.96 3hhs h THR 564 Cb 1.73 0.48 -0.11 0.00 -1.74 0.00 0.00 68.15 68.51 3hhs h THR 564 CO -0.07 0.10 -0.67 -0.36 0.37 0.00 0.00 175.52 174.89 3hhs s PHE 565 N -6.15 2.58 0.07 3.16 0.08 0.20 -4.95 117.98 112.98 3hhs s PHE 565 Ca -0.13 -0.27 -0.31 0.00 0.12 0.00 0.00 56.93 56.34 3hhs s PHE 565 Cb 0.12 -1.18 -0.08 0.00 -0.57 0.00 0.00 43.02 41.31 3hhs s PHE 565 CO 0.73 0.63 1.57 0.50 -0.10 0.00 0.00 175.22 178.54 3hhs s ARG 566 N -3.64 4.23 0.24 0.44 3.52 -1.26 -4.39 118.95 118.09 3hhs s ARG 566 Ca 0.32 2.24 -0.03 0.00 -0.13 0.00 0.00 55.73 58.12 3hhs s ARG 566 Cb -0.05 -3.51 0.27 0.00 -1.56 0.00 0.00 34.95 30.10 3hhs s ARG 566 CO 0.19 -0.66 1.73 0.22 -0.81 0.00 0.00 175.30 175.97 3hhs h ASP 567 N 7.90 0.82 0.00 -2.12 3.58 -1.90 -3.49 116.42 121.22 3hhs h ASP 567 Ca -0.42 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 56.82 3hhs h ASP 567 Cb 1.20 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.03 3hhs h ASP 567 CO 0.92 0.89 0.00 -1.22 -2.88 0.00 0.00 179.24 176.95 3hhs n TYR 585 N -4.20 0.00 -0.26 0.28 4.01 -1.26 -4.96 117.16 110.78 3hhs n TYR 585 Ca 0.03 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.70 3hhs n TYR 585 Cb 0.32 -0.04 0.05 0.00 -0.31 0.00 0.00 39.34 39.36 3hhs n TYR 585 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hhs h GLY 587 N 1.05 0.00 -4.76 0.00 0.00 -1.93 -3.45 103.07 93.98 3hhs h GLY 587 Ca 0.23 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.01 3hhs h GLY 587 CO -0.01 0.00 0.71 0.00 0.00 0.00 0.00 176.54 177.24 3hhs n GLY 589 N 3.41 4.36 3.76 0.00 0.00 -1.26 -4.44 105.19 111.00 3hhs n GLY 589 Ca 0.11 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3hhs n GLY 589 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hhs s TRP 590 N -1.29 3.00 0.27 1.61 -0.11 -0.99 -4.54 118.94 116.89 3hhs s TRP 590 Ca 0.00 1.19 -0.29 0.00 1.22 0.00 0.00 56.10 58.22 3hhs s TRP 590 Cb 0.00 -3.78 -0.10 0.00 -1.50 0.00 0.00 33.47 28.09 3hhs s TRP 590 CO 0.00 -2.38 1.22 -1.25 -4.62 0.00 0.00 176.95 169.92 3hhs s PRO 591 N -1.05 4.48 0.34 5.86 0.04 -1.26 -1.71 135.00 141.70 3hhs s PRO 591 Ca 0.55 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.67 3hhs s PRO 591 Cb -0.41 -3.15 0.79 0.00 0.04 0.00 0.00 34.50 31.77 3hhs s PRO 591 CO 0.49 -0.04 1.84 0.37 0.04 0.00 0.00 177.00 179.70 3hhs h GLN 592 N 4.09 0.70 0.00 4.56 5.75 -1.72 -1.63 115.11 126.87 3hhs h GLN 592 Ca -0.47 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 3hhs h GLN 592 Cb 1.22 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.61 3hhs h GLN 592 CO 0.69 0.46 0.00 -2.39 -2.65 0.00 0.00 178.83 174.94 3hhs n HIS 593 N -4.60 0.83 -0.85 3.99 1.44 -1.26 -1.77 115.22 112.99 3hhs n HIS 593 Ca 0.19 0.36 0.08 0.00 -2.01 0.00 0.00 57.72 56.34 3hhs n HIS 593 Cb 0.50 -1.07 0.34 0.00 0.12 0.00 0.00 29.99 29.88 3hhs n HIS 593 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3hhs n MET 594 N -2.28 3.92 -0.27 -1.40 2.81 -0.61 -3.73 117.12 115.56 3hhs n MET 594 Ca 0.01 -2.95 -0.06 0.00 -1.81 0.00 0.00 57.70 52.88 3hhs n MET 594 Cb 0.17 -2.01 0.07 0.00 -0.71 0.00 0.00 33.22 30.74 3hhs n MET 594 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3hhs h LEU 595 N 3.16 1.08 -9.17 4.03 5.85 -1.36 -3.43 115.31 115.46 3hhs h LEU 595 Ca 0.00 -0.20 -0.63 0.00 0.84 0.00 0.00 57.88 57.89 3hhs h LEU 595 Cb 1.64 -0.28 -0.15 0.00 0.37 0.00 0.00 40.66 42.24 3hhs h LEU 595 CO 0.33 0.99 -0.57 -0.69 -0.34 0.00 0.00 178.44 178.16 3hhs s VAL 596 N -5.42 4.74 0.77 1.05 1.01 -1.26 -5.03 120.40 116.26 3hhs s VAL 596 Ca -0.12 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 3hhs s VAL 596 Cb 0.15 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 3hhs s VAL 596 CO 0.84 0.51 0.68 -2.65 0.00 0.00 0.00 175.10 174.48 3hhs n PRO 597 N 3.12 0.22 -0.27 2.72 -0.02 -1.26 -4.90 135.00 134.60 3hhs n PRO 597 Ca -0.17 0.12 0.02 0.00 -2.02 0.00 0.00 63.50 61.45 3hhs n PRO 597 Cb 0.53 -1.99 0.16 0.00 -0.02 0.00 0.00 33.50 32.18 3hhs n PRO 597 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3hhs h LYS 598 N -0.63 0.70 0.00 -0.52 3.64 -1.95 -3.48 116.57 114.34 3hhs h LYS 598 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3hhs h LYS 598 Cb 1.33 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3hhs h LYS 598 CO 0.42 0.46 0.00 0.41 -2.27 0.00 0.00 179.45 178.48 3hhs n GLY 599 N -1.31 0.12 3.14 5.01 0.00 -1.26 -4.11 105.19 106.77 3hhs n GLY 599 Ca 0.13 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 3hhs n GLY 599 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hhs s THR 600 N 0.00 0.12 0.27 2.61 -4.23 -1.23 -4.76 115.64 108.42 3hhs s THR 600 Ca 0.00 -1.89 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 3hhs s THR 600 Cb 0.00 -1.96 0.26 0.00 1.34 0.00 0.00 72.50 72.14 3hhs s THR 600 CO 0.00 -0.54 1.94 0.58 -0.54 0.00 0.00 174.62 176.06 3hhs h VAL 601 N 2.91 1.24 0.00 2.29 2.07 -1.91 0.35 116.25 123.19 3hhs h VAL 601 Ca -0.35 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 3hhs h VAL 601 Cb 1.19 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3hhs h VAL 601 CO 0.60 0.23 -0.45 1.23 0.02 0.00 0.00 177.57 179.20 3hhs h GLY 602 N 1.28 0.00 0.00 2.17 0.00 -1.93 -3.41 103.07 101.17 3hhs h GLY 602 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3hhs h GLY 602 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.07 3hhs n GLY 603 N 0.36 2.26 3.22 4.60 0.00 -0.59 -5.01 105.19 110.02 3hhs n GLY 603 Ca -0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 3hhs n GLY 603 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhs s VAL 604 N -0.66 1.87 0.02 1.61 0.11 -0.63 -4.80 120.40 117.91 3hhs s VAL 604 Ca 0.00 -0.96 -0.30 0.00 -2.93 0.00 0.00 61.98 57.79 3hhs s VAL 604 Cb 0.00 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 33.21 3hhs s VAL 604 CO 0.00 0.52 1.30 0.00 -3.33 0.00 0.00 175.10 173.59 3hhs s ALA 605 N -0.04 3.51 0.30 1.54 0.00 -1.26 -1.45 121.76 124.37 3hhs s ALA 605 Ca -0.06 0.84 0.11 0.00 0.00 0.00 0.00 51.96 52.85 3hhs s ALA 605 Cb -0.14 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.40 3hhs s ALA 605 CO 0.04 -0.72 -0.16 0.71 0.00 0.00 0.00 175.76 175.63 3hhs s TYR 606 N 1.86 2.34 -0.17 0.00 1.51 0.68 -1.51 117.35 122.05 3hhs s TYR 606 Ca 0.61 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 56.26 3hhs s TYR 606 Cb -0.30 -1.13 -0.01 0.00 -0.11 0.00 0.00 41.96 40.41 3hhs s TYR 606 CO 0.26 0.67 -0.09 -0.65 -1.11 0.00 0.00 175.55 174.64 3hhs s GLN 607 N -3.55 3.40 -0.35 -0.62 -0.21 0.12 -0.06 119.66 118.39 3hhs s GLN 607 Ca 0.31 -0.65 -0.15 0.00 0.02 0.00 0.00 55.36 54.89 3hhs s GLN 607 Cb -0.02 -2.81 -0.01 0.00 1.00 0.00 0.00 33.01 31.17 3hhs s GLN 607 CO 0.16 0.04 0.35 -1.17 -2.12 0.00 0.00 175.29 172.54 3hhs s LEU 608 N 0.82 4.51 -0.17 2.90 2.96 0.26 -1.92 118.68 128.05 3hhs s LEU 608 Ca -0.03 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.50 3hhs s LEU 608 Cb -0.15 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 3hhs s LEU 608 CO 0.01 -0.35 0.01 0.12 -1.32 0.00 0.00 176.35 174.83 3hhs s PHE 609 N 1.97 3.14 -0.04 5.38 5.36 -0.15 -0.93 117.98 132.72 3hhs s PHE 609 Ca 0.11 -0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.01 3hhs s PHE 609 Cb -0.17 -2.02 -0.00 0.00 -0.34 0.00 0.00 43.02 40.49 3hhs s PHE 609 CO 0.12 0.07 -0.15 0.08 -1.46 0.00 0.00 175.22 173.87 3hhs s VAL 610 N 0.35 1.29 -0.02 3.12 1.01 -0.15 -1.42 120.40 124.58 3hhs s VAL 610 Ca -0.00 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3hhs s VAL 610 Cb -0.13 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3hhs s VAL 610 CO 0.01 0.37 -0.13 -0.32 0.00 0.00 0.00 175.10 175.03 3hhs s MET 611 N 0.03 1.18 -0.61 2.72 1.75 -0.23 -0.15 119.30 123.99 3hhs s MET 611 Ca -0.03 -0.48 -0.09 0.00 -1.25 0.00 0.00 55.69 53.85 3hhs s MET 611 Cb -0.10 -1.12 0.16 0.00 2.84 0.00 0.00 34.83 36.61 3hhs s MET 611 CO 0.02 0.26 0.48 -0.51 -0.65 0.00 0.00 175.02 174.62 3hhs s LEU 612 N -0.18 5.84 0.57 4.11 1.02 -0.04 -1.15 118.68 128.86 3hhs s LEU 612 Ca 0.03 -2.40 -0.08 0.00 0.02 0.00 0.00 54.13 51.70 3hhs s LEU 612 Cb -0.07 -2.02 -0.02 0.00 0.02 0.00 0.00 46.19 44.11 3hhs s LEU 612 CO 0.00 -0.57 0.92 -0.94 0.02 0.00 0.00 176.35 175.78 3hhs s SER 613 N 1.95 5.96 -0.37 2.29 1.04 -0.14 -4.70 113.70 119.73 3hhs s SER 613 Ca 0.12 1.01 -0.28 0.00 0.48 0.00 0.00 55.95 57.28 3hhs s SER 613 Cb -0.20 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 63.80 3hhs s SER 613 CO -0.04 -0.88 1.68 0.21 0.98 0.00 0.00 173.24 175.19 3hhs s ASN 614 N -4.21 6.00 0.38 7.02 3.84 -1.26 -2.93 114.94 123.78 3hhs s ASN 614 Ca 0.52 1.10 0.07 0.00 0.21 0.00 0.00 52.86 54.76 3hhs s ASN 614 Cb -0.11 -2.53 0.80 0.00 -0.55 0.00 0.00 41.25 38.87 3hhs s ASN 614 CO 0.48 -1.65 1.97 0.22 -2.79 0.00 0.00 177.10 175.33 3hhs h TYR 615 N 12.27 0.68 -0.75 0.43 3.20 -1.93 -1.41 116.97 129.46 3hhs h TYR 615 Ca -0.31 0.02 0.16 0.00 3.14 0.00 0.00 58.73 61.74 3hhs h TYR 615 Cb 1.15 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 3hhs h TYR 615 CO 0.97 0.36 0.50 0.93 -1.64 0.00 0.00 178.16 179.28 3hhs h GLU 616 N 0.68 0.32 0.00 1.82 4.39 -1.90 0.11 114.58 120.00 3hhs h GLU 616 Ca 0.29 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3hhs h GLU 616 Cb 0.27 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3hhs h GLU 616 CO -0.09 0.21 -0.76 1.28 -1.16 0.00 0.00 179.01 178.49 3hhs n LEU 617 N -4.46 0.69 0.08 1.33 4.77 -0.58 -4.28 117.00 114.55 3hhs n LEU 617 Ca 0.14 -0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.77 3hhs n LEU 617 Cb 0.58 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 3hhs n LEU 617 CO 0.33 0.15 -0.33 0.44 -1.33 0.00 0.00 177.39 176.66 3hhs h ASP 618 N 0.00 0.46 -3.89 -1.43 3.32 -0.62 -3.38 116.42 110.89 3hhs h ASP 618 Ca 0.00 -0.62 -0.53 0.00 0.02 0.00 0.00 57.03 55.91 3hhs h ASP 618 Cb 0.54 -0.15 0.07 0.00 0.22 0.00 0.00 39.33 40.01 3hhs h ASP 618 CO 0.00 1.51 0.67 -1.59 -1.72 0.00 0.00 179.24 178.11 3hhs s LYS 619 N -2.61 4.30 -0.14 3.56 -2.85 0.24 -0.50 119.74 121.74 3hhs s LYS 619 Ca -0.09 2.30 0.01 0.00 -1.00 0.00 0.00 55.97 57.18 3hhs s LYS 619 Cb 0.06 -3.05 -0.00 0.00 -2.06 0.00 0.00 37.83 32.78 3hhs s LYS 619 CO 0.86 -0.27 -0.18 0.42 0.10 0.00 0.00 175.35 176.29 3hhs s ILE 620 N -1.12 2.51 -0.51 3.79 -1.09 -1.26 -4.56 121.20 118.97 3hhs s ILE 620 Ca 0.50 -0.83 -0.15 0.00 -2.23 0.00 0.00 60.65 57.93 3hhs s ILE 620 Cb -0.41 -2.04 0.11 0.00 -1.58 0.00 0.00 42.46 38.54 3hhs s ILE 620 CO 0.55 0.53 0.46 -1.61 -1.23 0.00 0.00 174.94 173.64 3hhs s GLU 621 N 0.66 2.96 -0.07 2.79 2.02 -1.26 -5.02 118.70 120.78 3hhs s GLU 621 Ca -0.09 -1.59 -0.14 0.00 0.02 0.00 0.00 54.97 53.17 3hhs s GLU 621 Cb -0.16 -4.22 0.03 0.00 0.10 0.00 0.00 34.13 29.88 3hhs s GLU 621 CO 0.02 -1.22 0.35 1.14 0.02 0.00 0.00 175.26 175.57 3hhs s GLN 622 N 1.60 0.57 -0.52 1.61 -2.07 -1.26 -5.13 119.66 114.47 3hhs s GLN 622 Ca 0.03 0.15 -0.27 0.00 -1.82 0.00 0.00 55.36 53.45 3hhs s GLN 622 Cb -0.28 0.26 0.03 0.00 -1.09 0.00 0.00 33.01 31.94 3hhs s GLN 622 CO 0.04 -0.13 1.05 -1.25 -1.32 0.00 0.00 175.29 173.68 3hhs s PRO 623 N -0.62 3.53 0.00 9.60 0.04 -1.26 -5.17 135.00 141.12 3hhs s PRO 623 Ca -0.07 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.15 3hhs s PRO 623 Cb -0.04 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.53 3hhs s PRO 623 CO 0.03 -1.44 0.00 0.45 0.04 0.00 0.00 177.00 176.07 3hhs n SER 629 N 7.74 0.00 -4.72 6.66 2.88 -1.26 -5.22 113.62 119.70 3hhs n SER 629 Ca 0.07 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.28 3hhs n SER 629 Cb 0.49 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 3hhs n SER 629 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hhs s VAL 631 N -2.93 3.64 -0.34 0.00 1.01 -1.26 -5.01 120.40 115.52 3hhs s VAL 631 Ca 0.03 1.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.95 3hhs s VAL 631 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3hhs s VAL 631 CO 0.02 0.02 0.32 -1.61 0.00 0.00 0.00 175.10 173.85 3hhs s GLU 632 N 2.02 3.57 -1.13 2.72 2.02 -1.26 -4.79 118.70 121.83 3hhs s GLU 632 Ca 0.64 -0.47 -0.12 0.00 0.02 0.00 0.00 54.97 55.04 3hhs s GLU 632 Cb -0.32 -3.80 0.22 0.00 0.10 0.00 0.00 34.13 30.33 3hhs s GLU 632 CO 0.28 -0.49 1.23 0.00 0.02 0.00 0.00 175.26 176.30 3hhs s ALA 633 N 1.93 4.34 0.23 5.21 0.00 -1.26 -4.89 121.76 127.32 3hhs s ALA 633 Ca 0.10 -3.58 0.33 0.00 0.00 0.00 0.00 51.96 48.81 3hhs s ALA 633 Cb -0.17 -3.82 1.45 0.00 0.00 0.00 0.00 23.12 20.58 3hhs s ALA 633 CO 0.11 -2.48 2.02 0.66 0.00 0.00 0.00 175.76 176.08 3hhs h SER 634 N 7.01 0.00 -0.05 0.00 4.64 -1.66 -2.64 113.55 120.84 3hhs h SER 634 Ca 0.23 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.57 3hhs h SER 634 Cb 0.89 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 3hhs h SER 634 CO 1.10 0.05 -0.07 0.24 -0.87 0.00 0.00 176.83 177.29 3hhs h MET 635 N 0.00 -0.09 0.00 4.77 2.86 -1.81 0.13 114.93 120.79 3hhs h MET 635 Ca -0.00 0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 3hhs h MET 635 Cb 0.46 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 3hhs h MET 635 CO 0.01 -0.06 -1.32 1.19 1.06 0.00 0.00 176.91 177.79 3hhs n PHE 636 N -5.19 0.89 0.50 -0.22 3.72 -1.24 -4.61 117.46 111.32 3hhs n PHE 636 Ca -0.05 0.28 0.06 0.00 -0.05 0.00 0.00 57.45 57.69 3hhs n PHE 636 Cb 0.12 -1.00 -0.08 0.00 -0.94 0.00 0.00 39.48 37.58 3hhs n PHE 636 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hhs n GLY 638 N 1.37 0.93 3.07 0.00 0.00 0.42 -4.81 105.19 106.17 3hhs n GLY 638 Ca 0.02 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 3hhs n GLY 638 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hhs s LEU 639 N 0.00 1.86 0.04 0.99 1.43 -1.26 -4.16 118.68 117.58 3hhs s LEU 639 Ca 0.00 -0.27 -0.34 0.00 -1.03 0.00 0.00 54.13 52.49 3hhs s LEU 639 Cb 0.00 -0.75 -0.13 0.00 0.03 0.00 0.00 46.19 45.34 3hhs s LEU 639 CO 0.00 0.11 1.71 1.17 0.23 0.00 0.00 176.35 179.57 3hhs n LYS 640 N 3.19 2.10 -1.47 1.70 4.81 -1.26 -2.13 118.16 125.10 3hhs n LYS 640 Ca -0.18 0.76 -0.16 0.00 -0.87 0.00 0.00 58.31 57.86 3hhs n LYS 640 Cb 0.54 -2.56 -0.07 0.00 0.02 0.00 0.00 35.03 32.96 3hhs n LYS 640 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hhs n ASP 641 N 4.84 -4.94 -4.25 3.14 8.00 -1.26 -4.97 116.55 117.12 3hhs n ASP 641 Ca 0.20 0.40 -0.14 0.00 0.71 0.00 0.00 54.79 55.96 3hhs n ASP 641 Cb 0.28 -3.85 -0.10 0.00 -0.02 0.00 0.00 41.12 37.43 3hhs n ASP 641 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hhs s LYS 642 N -3.36 1.13 0.47 -1.24 1.02 -0.91 -5.14 119.74 111.71 3hhs s LYS 642 Ca 0.00 -1.55 -0.23 0.00 0.02 0.00 0.00 55.97 54.22 3hhs s LYS 642 Cb 0.00 -0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 36.94 3hhs s LYS 642 CO 0.00 -0.13 1.18 0.15 -0.92 0.00 0.00 175.35 175.63 3hhs s LYS 643 N -3.91 3.69 -0.04 1.68 1.02 -1.26 -4.55 119.74 116.36 3hhs s LYS 643 Ca 0.24 1.80 -0.37 0.00 0.02 0.00 0.00 55.97 57.67 3hhs s LYS 643 Cb 0.06 -2.38 -0.15 0.00 -0.52 0.00 0.00 37.83 34.85 3hhs s LYS 643 CO 0.04 -0.62 1.62 0.98 -0.92 0.00 0.00 175.35 176.46 3hhs n TYR 644 N -0.57 1.99 1.23 3.18 9.36 -1.26 -4.62 117.16 126.48 3hhs n TYR 644 Ca 0.08 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.70 3hhs n TYR 644 Cb 0.48 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.71 3hhs n TYR 644 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3hhs n PRO 645 N 4.40 0.80 -4.35 2.98 -0.04 -1.26 -4.65 135.00 132.89 3hhs n PRO 645 Ca 0.21 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.47 3hhs n PRO 645 Cb 0.21 -1.18 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 3hhs n PRO 645 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hhs s ASP 646 N -0.74 1.20 0.38 3.54 2.15 -1.26 -4.47 116.67 117.48 3hhs s ASP 646 Ca 0.00 -0.19 0.21 0.00 0.43 0.00 0.00 52.55 53.01 3hhs s ASP 646 Cb 0.00 -0.44 0.25 0.00 -0.30 0.00 0.00 42.92 42.43 3hhs s ASP 646 CO 0.00 0.02 1.52 0.00 -0.17 0.00 0.00 175.17 176.54 3hhs h ALA 647 N 6.72 0.89 -2.46 3.66 0.00 -1.04 -3.46 119.26 123.57 3hhs h ALA 647 Ca -0.34 -0.11 -0.52 0.00 0.00 0.00 0.00 54.91 53.94 3hhs h ALA 647 Cb 1.17 -0.01 0.15 0.00 0.00 0.00 0.00 17.79 19.10 3hhs h ALA 647 CO 0.48 0.14 0.33 1.03 0.00 0.00 0.00 179.25 181.23 3hhs s ARG 648 N -3.17 1.96 0.35 0.00 1.81 -1.26 -4.95 118.95 113.69 3hhs s ARG 648 Ca 0.06 1.53 -0.28 0.00 -1.72 0.00 0.00 55.73 55.31 3hhs s ARG 648 Cb 0.06 -1.84 -0.12 0.00 -0.45 0.00 0.00 34.95 32.61 3hhs s ARG 648 CO 0.70 -1.93 1.43 -2.30 -0.68 0.00 0.00 175.30 172.52 3hhs n PRO 649 N -3.25 2.47 -1.75 3.54 -0.02 -1.26 -4.88 135.00 129.85 3hhs n PRO 649 Ca 0.12 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 62.04 3hhs n PRO 649 Cb 0.52 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 3hhs n PRO 649 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3hhs s MET 650 N -1.81 4.14 0.00 -0.52 -1.94 -1.26 -1.77 119.30 116.15 3hhs s MET 650 Ca 0.56 2.56 0.00 0.00 -1.71 0.00 0.00 55.69 57.10 3hhs s MET 650 Cb -0.52 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 32.85 3hhs s MET 650 CO 0.61 -0.80 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 3hhs n GLY 651 N 4.14 0.56 3.69 -0.03 0.00 -1.26 -4.72 105.19 107.57 3hhs n GLY 651 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3hhs n GLY 651 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hhs n TYR 652 N -1.72 2.24 0.31 1.61 9.36 -0.73 -0.28 117.16 127.95 3hhs n TYR 652 Ca 0.00 0.49 0.06 0.00 3.32 0.00 0.00 57.90 61.76 3hhs n TYR 652 Cb 0.00 -2.44 0.21 0.00 -0.63 0.00 0.00 39.34 36.48 3hhs n TYR 652 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3hhs n PRO 653 N 1.31 2.55 -0.17 2.98 -0.04 -1.26 -4.91 135.00 135.46 3hhs n PRO 653 Ca 0.08 -1.67 0.08 0.00 -0.04 0.00 0.00 63.50 61.95 3hhs n PRO 653 Cb 0.34 -1.60 0.17 0.00 -0.04 0.00 0.00 33.50 32.36 3hhs n PRO 653 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hhs n PHE 654 N 0.58 0.44 0.72 0.54 3.72 0.61 -4.52 117.46 119.55 3hhs n PHE 654 Ca 0.15 -0.33 0.08 0.00 -0.05 0.00 0.00 57.45 57.30 3hhs n PHE 654 Cb 0.56 -0.01 0.41 0.00 -0.94 0.00 0.00 39.48 39.49 3hhs n PHE 654 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3hhs n ASP 655 N 0.93 0.00 -3.57 4.37 5.75 -1.04 -4.64 116.55 118.35 3hhs n ASP 655 Ca 0.14 0.25 -0.13 0.00 -0.01 0.00 0.00 54.79 55.05 3hhs n ASP 655 Cb 0.47 -0.39 -0.05 0.00 -1.03 0.00 0.00 41.12 40.12 3hhs n ASP 655 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hhs s ARG 656 N -2.77 1.07 0.47 0.11 1.70 -1.26 -4.88 118.95 113.39 3hhs s ARG 656 Ca 0.13 -0.38 -0.24 0.00 -0.47 0.00 0.00 55.73 54.77 3hhs s ARG 656 Cb 0.11 0.48 -0.07 0.00 -0.57 0.00 0.00 34.95 34.91 3hhs s ARG 656 CO 0.29 -0.40 1.37 -1.25 -1.08 0.00 0.00 175.30 174.23 3hhs s PRO 657 N -2.92 3.56 0.24 3.89 0.04 -1.26 -4.96 135.00 133.58 3hhs s PRO 657 Ca -0.03 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 3hhs s PRO 657 Cb -0.00 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.92 3hhs s PRO 657 CO -0.06 -0.88 1.17 0.45 0.04 0.00 0.00 177.00 177.73 3hhs s SER 658 N -0.73 7.12 0.00 6.66 0.15 -1.26 -4.48 113.70 121.17 3hhs s SER 658 Ca 0.64 2.30 0.26 0.00 0.70 0.00 0.00 55.95 59.85 3hhs s SER 658 Cb -0.41 -2.62 0.54 0.00 -1.71 0.00 0.00 66.02 61.82 3hhs s SER 658 CO 0.51 -0.30 1.45 -0.46 1.20 0.00 0.00 173.24 175.64 3hhs n ASN 659 N 1.79 2.16 0.00 5.45 0.23 -1.26 -4.58 115.26 119.05 3hhs n ASN 659 Ca 0.02 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 3hhs n ASN 659 Cb 0.44 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 3hhs n ASN 659 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3hhs n SER 660 N 0.59 0.27 -3.81 0.53 3.41 -1.26 -5.08 113.62 108.26 3hhs n SER 660 Ca 0.15 -1.08 -0.13 0.00 -0.26 0.00 0.00 58.87 57.55 3hhs n SER 660 Cb 0.47 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.29 3hhs n SER 660 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hhs s ALA 661 N -0.08 -0.30 -1.91 7.33 0.00 -1.26 -4.92 121.76 120.62 3hhs s ALA 661 Ca 0.00 0.45 0.16 0.00 0.00 0.00 0.00 51.96 52.57 3hhs s ALA 661 Cb 0.00 -0.28 0.18 0.00 0.00 0.00 0.00 23.12 23.02 3hhs s ALA 661 CO 0.00 -0.09 1.07 0.25 0.00 0.00 0.00 175.76 176.99 3hhs n THR 662 N 3.34 0.16 -3.77 0.00 -2.24 -1.26 -4.76 114.28 105.75 3hhs n THR 662 Ca -0.16 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 60.93 3hhs n THR 662 Cb 0.57 1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 69.93 3hhs n THR 662 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hhs s ASN 663 N -1.29 -0.06 0.34 3.42 2.20 -1.26 -1.13 114.94 117.15 3hhs s ASN 663 Ca 0.21 -0.37 0.05 0.00 -0.94 0.00 0.00 52.86 51.81 3hhs s ASN 663 Cb 0.14 0.37 0.60 0.00 -2.00 0.00 0.00 41.25 40.36 3hhs s ASN 663 CO 0.21 -0.69 1.86 -0.29 -2.94 0.00 0.00 177.10 175.24 3hhs h ILE 664 N 2.92 1.20 -0.45 0.54 6.09 -1.94 -1.73 117.51 124.14 3hhs h ILE 664 Ca -0.33 -0.85 0.00 0.00 -1.37 0.00 0.00 64.86 62.31 3hhs h ILE 664 Cb 1.21 1.04 -0.02 0.00 0.47 0.00 0.00 36.82 39.52 3hhs h ILE 664 CO 0.50 0.28 0.28 -0.33 -3.07 0.00 0.00 178.15 175.81 3hhs h GLU 665 N 0.45 0.61 -0.29 2.19 3.07 -1.97 0.14 114.58 118.78 3hhs h GLU 665 Ca 0.09 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.81 3hhs h GLU 665 Cb 0.38 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3hhs h GLU 665 CO 0.02 0.43 -0.20 -0.44 -1.40 0.00 0.00 179.01 177.41 3hhs h ASP 666 N 0.61 0.68 -0.65 1.42 3.32 -1.94 -2.74 116.42 117.11 3hhs h ASP 666 Ca 0.16 -0.44 0.09 0.00 0.02 0.00 0.00 57.03 56.87 3hhs h ASP 666 Cb -0.03 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.26 3hhs h ASP 666 CO -0.03 0.97 0.29 0.15 -1.72 0.00 0.00 179.24 178.91 3hhs h PHE 667 N 0.40 0.52 0.00 4.55 3.57 -1.13 -2.94 116.94 121.91 3hhs h PHE 667 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3hhs h PHE 667 Cb 0.74 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3hhs h PHE 667 CO 0.07 0.18 0.00 0.43 -2.23 0.00 0.00 178.31 176.75 3hhs n SER 668 N -4.92 0.00 0.26 0.41 7.64 0.48 -3.78 113.62 113.72 3hhs n SER 668 Ca 0.09 0.19 0.10 0.00 1.01 0.00 0.00 58.87 60.26 3hhs n SER 668 Cb 0.26 -0.38 0.70 0.00 -1.01 0.00 0.00 64.21 63.78 3hhs n SER 668 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhs h ALA 669 N 2.97 1.62 -1.53 -0.43 0.00 -1.30 -3.41 119.26 117.17 3hhs h ALA 669 Ca 0.00 -0.07 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 3hhs h ALA 669 Cb 0.29 -0.01 0.11 0.00 0.00 0.00 0.00 17.79 18.18 3hhs h ALA 669 CO 0.00 0.10 -0.22 -0.12 0.00 0.00 0.00 179.25 179.01 3hhs n MET 670 N -4.08 0.67 -0.28 0.00 0.00 -1.25 -4.86 117.12 107.33 3hhs n MET 670 Ca -0.03 0.24 0.02 0.00 0.00 0.00 0.00 57.70 57.93 3hhs n MET 670 Cb 0.16 -1.43 0.22 0.00 0.00 0.00 0.00 33.22 32.18 3hhs n MET 670 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3hhs h SER 671 N 1.44 0.92 -0.21 6.12 4.64 -1.85 -2.34 113.55 122.28 3hhs h SER 671 Ca -0.34 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3hhs h SER 671 Cb 1.39 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3hhs h SER 671 CO 0.58 0.63 0.00 -0.46 -0.87 0.00 0.00 176.83 176.72 3hhs n ASN 672 N -4.45 2.21 -4.16 4.97 6.94 -1.10 -1.13 115.26 118.55 3hhs n ASN 672 Ca 0.11 -2.22 -0.20 0.00 -0.02 0.00 0.00 54.58 52.25 3hhs n ASN 672 Cb 0.11 -0.44 -0.13 0.00 -2.36 0.00 0.00 39.78 36.95 3hhs n ASN 672 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3hhs s MET 673 N -1.61 0.96 0.09 -3.83 -1.94 -0.88 -0.86 119.30 111.22 3hhs s MET 673 Ca 0.18 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.36 3hhs s MET 673 Cb 0.12 -0.98 -0.04 0.00 2.01 0.00 0.00 34.83 35.94 3hhs s MET 673 CO 0.07 0.24 -0.07 0.20 -0.01 0.00 0.00 175.02 175.45 3hhs s GLY 674 N -1.26 0.73 -0.06 -0.03 0.00 0.78 -4.66 107.32 102.82 3hhs s GLY 674 Ca 0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 3hhs s GLY 674 CO 0.02 -1.32 0.15 -2.27 0.00 0.00 0.00 173.10 169.68 3hhs s LEU 675 N -2.71 0.91 -0.09 0.66 2.96 -1.26 -0.97 118.68 118.18 3hhs s LEU 675 Ca 0.07 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 3hhs s LEU 675 Cb 0.02 0.42 0.04 0.00 0.50 0.00 0.00 46.19 47.17 3hhs s LEU 675 CO -0.03 -0.12 0.20 -1.58 -1.32 0.00 0.00 176.35 173.50 3hhs s GLN 676 N 0.87 0.16 0.16 1.98 2.00 -0.11 -4.91 119.66 119.81 3hhs s GLN 676 Ca -0.07 0.45 -0.31 0.00 -2.00 0.00 0.00 55.36 53.44 3hhs s GLN 676 Cb -0.08 -0.14 -0.08 0.00 0.80 0.00 0.00 33.01 33.50 3hhs s GLN 676 CO -0.04 -0.16 1.35 -0.51 -0.50 0.00 0.00 175.29 175.43 3hhs s ASP 677 N 1.20 6.85 0.36 6.67 1.01 -1.26 -0.58 116.67 130.92 3hhs s ASP 677 Ca -0.09 2.38 0.03 0.00 0.71 0.00 0.00 52.55 55.59 3hhs s ASP 677 Cb -0.11 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 3hhs s ASP 677 CO -0.07 -0.60 0.10 0.27 0.21 0.00 0.00 175.17 175.09 3hhs s ILE 678 N 0.56 0.77 -0.06 0.77 -4.36 0.92 -4.92 121.20 114.88 3hhs s ILE 678 Ca 0.60 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 3hhs s ILE 678 Cb -0.37 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 40.83 3hhs s ILE 678 CO 0.35 0.00 -0.10 -0.69 0.24 0.00 0.00 174.94 174.74 3hhs s VAL 679 N -3.31 0.97 -0.28 8.37 1.01 -0.73 -0.23 120.40 126.19 3hhs s VAL 679 Ca 0.30 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 3hhs s VAL 679 Cb 0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 3hhs s VAL 679 CO 0.15 0.32 0.18 -0.63 0.00 0.00 0.00 175.10 175.11 3hhs s ILE 680 N 0.73 5.17 -0.13 2.22 1.01 -0.53 -0.84 121.20 128.83 3hhs s ILE 680 Ca -0.14 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.64 3hhs s ILE 680 Cb -0.15 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.85 3hhs s ILE 680 CO 0.03 0.25 -0.22 -0.75 0.00 0.00 0.00 174.94 174.25 3hhs s LYS 681 N 1.74 3.04 -0.10 2.79 2.20 0.14 -1.61 119.74 127.94 3hhs s LYS 681 Ca 0.07 -0.85 -0.22 0.00 -0.36 0.00 0.00 55.97 54.61 3hhs s LYS 681 Cb -0.16 -2.42 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 3hhs s LYS 681 CO 0.10 0.03 0.64 -1.17 -0.36 0.00 0.00 175.35 174.58 3hhs s LEU 682 N 0.71 4.27 -0.32 5.43 2.96 0.01 -1.14 118.68 130.61 3hhs s LEU 682 Ca -0.09 1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 54.73 3hhs s LEU 682 Cb -0.16 -2.96 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 3hhs s LEU 682 CO 0.00 -0.12 0.24 -0.55 -1.32 0.00 0.00 176.35 174.60 3hhs s SER 683 N 0.83 6.06 -1.26 3.68 0.15 0.40 -4.12 113.70 119.45 3hhs s SER 683 Ca 0.33 -0.25 -0.10 0.00 0.70 0.00 0.00 55.95 56.63 3hhs s SER 683 Cb -0.17 -2.14 0.18 0.00 -1.71 0.00 0.00 66.02 62.18 3hhs s SER 683 CO 0.15 -0.18 1.77 -0.67 1.20 0.00 0.00 173.24 175.51 3hhs n ASP 684 N 5.12 5.18 -4.12 5.45 4.64 -1.26 -4.25 116.55 127.31 3hhs n ASP 684 Ca -0.13 -3.10 -0.13 0.00 -1.38 0.00 0.00 54.79 50.05 3hhs n ASP 684 Cb 0.50 -1.48 -0.11 0.00 -1.04 0.00 0.00 41.12 38.99 3hhs n ASP 684 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3hhs s VAL 685 N 0.42 0.70 -0.12 5.18 -7.23 -1.26 -5.04 120.40 113.06 3hhs s VAL 685 Ca 0.40 -1.39 0.03 0.00 -1.81 0.00 0.00 61.98 59.20 3hhs s VAL 685 Cb 0.07 -1.03 -0.00 0.00 0.56 0.00 0.00 36.38 35.98 3hhs s VAL 685 CO 0.01 -0.51 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.20 3hhs s THR 686 N -2.05 2.30 0.11 5.32 2.01 -1.26 -1.65 115.64 120.42 3hhs s THR 686 Ca -0.02 -0.92 0.10 0.00 0.31 0.00 0.00 61.69 61.16 3hhs s THR 686 Cb -0.05 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 3hhs s THR 686 CO -0.01 0.55 -0.24 -1.61 -0.69 0.00 0.00 174.62 172.62 3hhs s GLU 687 N 0.51 1.28 0.40 4.92 2.02 -0.26 -4.98 118.70 122.58 3hhs s GLU 687 Ca -0.13 -1.25 -0.24 0.00 0.02 0.00 0.00 54.97 53.37 3hhs s GLU 687 Cb -0.17 -1.66 -0.09 0.00 0.10 0.00 0.00 34.13 32.31 3hhs s GLU 687 CO 0.05 0.39 1.03 -1.25 0.02 0.00 0.00 175.26 175.50 3hhs s PRO 688 N -1.96 4.19 0.14 0.39 0.04 -1.26 -1.26 135.00 135.28 3hhs s PRO 688 Ca 0.10 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 3hhs s PRO 688 Cb -0.10 -2.53 -0.11 0.00 0.04 0.00 0.00 34.50 31.81 3hhs s PRO 688 CO 0.05 -0.11 1.79 1.21 0.04 0.00 0.00 177.00 179.98 3hhs s ASN 689 N -1.62 6.43 0.60 6.66 3.84 0.19 -4.82 114.94 126.22 3hhs s ASN 689 Ca 0.58 2.76 0.34 0.00 0.21 0.00 0.00 52.86 56.75 3hhs s ASN 689 Cb -0.21 -2.57 1.89 0.00 -0.55 0.00 0.00 41.25 39.81 3hhs s ASN 689 CO 0.26 -0.98 2.23 -0.65 -2.79 0.00 0.00 177.10 175.16 3hhs h PRO 690 N 8.16 0.00 -0.00 0.43 0.11 -1.94 -1.85 132.00 136.91 3hhs h PRO 690 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hhs h PRO 690 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hhs h PRO 690 CO 0.95 0.03 -0.00 0.54 -0.21 0.00 0.00 178.00 179.31 3hhs n ARG 691 N -3.48 0.60 -1.77 1.05 1.74 -1.26 -4.91 116.66 108.62 3hhs n ARG 691 Ca -0.02 -0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 3hhs n ARG 691 Cb 0.14 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.13 3hhs n ARG 691 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3hhs s ASN 692 N -2.40 4.95 0.00 0.55 0.01 -0.70 -5.03 114.94 112.33 3hhs s ASN 692 Ca 0.34 2.69 0.04 0.00 -0.71 0.00 0.00 52.86 55.22 3hhs s ASN 692 Cb 0.21 -2.63 0.25 0.00 0.41 0.00 0.00 41.25 39.49 3hhs s ASN 692 CO 0.43 -1.78 0.72 -2.65 -1.51 0.00 0.00 177.10 172.32