#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3epk s LYS 14 N 0.00 3.79 0.41 4.33 3.01 -1.26 -4.84 119.74 125.17 3epk s LYS 14 Ca 0.00 2.15 -0.15 0.00 -1.01 0.00 0.00 55.97 56.96 3epk s LYS 14 Cb 0.00 -4.16 -0.08 0.00 -1.01 0.00 0.00 37.83 32.57 3epk s LYS 14 CO 0.00 -1.34 0.84 0.15 0.51 0.00 0.00 175.35 175.51 3epk s LYS 15 N 4.96 3.97 -0.20 1.68 -0.14 -1.26 -2.13 119.74 126.62 3epk s LYS 15 Ca 0.85 0.76 -0.05 0.00 -1.36 0.00 0.00 55.97 56.18 3epk s LYS 15 Cb -0.34 -2.31 0.10 0.00 -1.68 0.00 0.00 37.83 33.60 3epk s LYS 15 CO 0.35 -0.02 0.35 0.08 -0.76 0.00 0.00 175.35 175.35 3epk s VAL 16 N -2.26 -0.54 -0.01 3.17 1.01 -0.41 -4.50 120.40 116.85 3epk s VAL 16 Ca 0.56 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 3epk s VAL 16 Cb -0.10 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 3epk s VAL 16 CO 0.23 -0.02 0.37 -0.63 0.00 0.00 0.00 175.10 175.05 3epk s ILE 17 N 2.51 5.10 -0.07 2.22 1.01 -1.01 -1.77 121.20 129.19 3epk s ILE 17 Ca 0.05 0.71 -0.00 0.00 0.00 0.00 0.00 60.65 61.41 3epk s ILE 17 Cb -0.14 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.69 3epk s ILE 17 CO -0.13 0.55 -0.04 0.54 0.00 0.00 0.00 174.94 175.86 3epk s VAL 18 N -1.11 0.65 -0.30 2.92 0.11 -0.63 -2.02 120.40 120.02 3epk s VAL 18 Ca 0.24 -0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 59.08 3epk s VAL 18 Cb -0.16 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 3epk s VAL 18 CO 0.13 0.28 0.15 -0.63 -3.33 0.00 0.00 175.10 171.71 3epk s ILE 19 N 1.47 4.69 0.39 7.04 1.01 -0.77 -0.52 121.20 134.51 3epk s ILE 19 Ca -0.02 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.38 3epk s ILE 19 Cb -0.13 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 3epk s ILE 19 CO -0.04 0.10 0.13 0.00 0.00 0.00 0.00 174.94 175.14 3epk s ALA 20 N 1.64 3.47 0.00 9.38 0.00 0.12 -3.69 121.76 132.67 3epk s ALA 20 Ca 0.05 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 49.95 3epk s ALA 20 Cb -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3epk s ALA 20 CO 0.07 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.14 3epk n GLY 21 N -1.15 3.12 3.62 0.00 0.00 -1.26 -1.51 105.19 108.01 3epk n GLY 21 Ca -0.02 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 3epk n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3epk s THR 22 N -2.00 1.98 0.13 2.61 -4.23 -1.26 -4.68 115.64 108.19 3epk s THR 22 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 3epk s THR 22 Cb 0.00 -2.38 -0.07 0.00 1.34 0.00 0.00 72.50 71.39 3epk s THR 22 CO 0.00 0.00 1.22 0.28 -0.54 0.00 0.00 174.62 175.58 3epk s THR 23 N -2.83 3.70 0.00 3.99 -1.32 -1.26 -3.65 115.64 114.27 3epk s THR 23 Ca 0.66 1.33 0.00 0.00 -1.21 0.00 0.00 61.69 62.47 3epk s THR 23 Cb -0.20 -3.85 0.00 0.00 -1.51 0.00 0.00 72.50 66.94 3epk s THR 23 CO 0.59 0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.78 3epk n GLY 24 N 2.69 0.84 0.16 6.08 0.00 -1.26 -4.96 105.19 108.73 3epk n GLY 24 Ca 0.07 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.51 3epk n GLY 24 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3epk n VAL 25 N -2.74 0.00 -0.83 1.61 0.24 -1.24 -4.94 118.33 110.43 3epk n VAL 25 Ca 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3epk n VAL 25 Cb 0.38 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 3epk n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3epk n GLY 26 N 0.93 1.28 0.27 7.63 0.00 -1.26 -4.97 105.19 109.08 3epk n GLY 26 Ca 0.03 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 3epk n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3epk h LYS 27 N 0.00 -0.61 -0.12 1.61 1.57 -1.94 -1.98 116.57 115.10 3epk h LYS 27 Ca 0.00 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3epk h LYS 27 Cb 0.39 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 3epk h LYS 27 CO 0.00 -0.38 -0.13 0.77 -0.57 0.00 0.00 179.45 179.14 3epk h SER 28 N -0.67 -0.39 -0.95 0.86 0.02 -1.95 0.26 113.55 110.73 3epk h SER 28 Ca -0.06 0.08 0.18 0.00 -0.84 0.00 0.00 61.79 61.14 3epk h SER 28 Cb 0.51 0.19 -0.08 0.00 0.14 0.00 0.00 62.40 63.15 3epk h SER 28 CO 0.11 -0.17 0.60 -0.61 -1.14 0.00 0.00 176.83 175.62 3epk h GLN 29 N -0.15 0.61 -0.04 3.45 4.15 -1.93 0.10 115.11 121.30 3epk h GLN 29 Ca 0.09 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 59.22 3epk h GLN 29 Cb 0.28 -0.14 0.02 0.00 0.21 0.00 0.00 27.48 27.85 3epk h GLN 29 CO -0.21 0.40 -0.97 1.25 -1.93 0.00 0.00 178.83 177.37 3epk h LEU 30 N 0.63 0.90 -1.23 -2.39 5.85 -0.48 -3.15 115.31 115.43 3epk h LEU 30 Ca 0.51 -0.68 0.12 0.00 0.84 0.00 0.00 57.88 58.66 3epk h LEU 30 Cb 0.94 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3epk h LEU 30 CO -0.26 1.48 0.57 0.77 -0.34 0.00 0.00 178.44 180.67 3epk h SER 31 N 0.42 0.74 0.49 1.25 4.64 0.20 -1.75 113.55 119.55 3epk h SER 31 Ca -0.11 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3epk h SER 31 Cb 1.62 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 3epk h SER 31 CO 0.19 0.41 -0.24 0.40 -0.87 0.00 0.00 176.83 176.73 3epk h ILE 32 N 0.80 0.42 -0.58 0.95 1.08 -1.35 -0.15 117.51 118.68 3epk h ILE 32 Ca 0.43 -0.39 0.10 0.00 -0.39 0.00 0.00 64.86 64.61 3epk h ILE 32 Cb 0.53 0.56 -0.11 0.00 -3.07 0.00 0.00 36.82 34.73 3epk h ILE 32 CO -0.19 0.06 -0.33 1.56 -0.69 0.00 0.00 178.15 178.56 3epk h GLN 33 N -0.93 -0.16 -0.85 2.37 4.20 -1.38 0.22 115.11 118.59 3epk h GLN 33 Ca -0.07 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3epk h GLN 33 Cb 0.60 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 3epk h GLN 33 CO 0.11 -0.10 0.44 -0.07 -0.67 0.00 0.00 178.83 178.54 3epk h LEU 34 N -0.16 1.07 -0.48 1.46 3.38 -1.34 -1.53 115.31 117.72 3epk h LEU 34 Ca 0.23 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3epk h LEU 34 Cb 0.55 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3epk h LEU 34 CO -0.67 0.88 0.24 0.00 0.09 0.00 0.00 178.44 178.98 3epk h ALA 35 N 1.29 0.61 0.40 1.53 0.00 0.13 0.47 119.26 123.69 3epk h ALA 35 Ca 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3epk h ALA 35 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3epk h ALA 35 CO -0.04 -0.11 -0.19 1.96 0.00 0.00 0.00 179.25 180.87 3epk h GLN 36 N 0.47 -0.52 -1.05 0.00 4.20 -0.63 0.12 115.11 117.72 3epk h GLN 36 Ca 0.21 0.04 0.31 0.00 0.06 0.00 0.00 58.65 59.26 3epk h GLN 36 Cb 0.12 0.12 -0.13 0.00 0.30 0.00 0.00 27.48 27.88 3epk h GLN 36 CO -0.15 -0.34 0.63 -0.22 -0.67 0.00 0.00 178.83 178.08 3epk h LYS 37 N -0.66 0.35 -0.20 1.46 1.63 -1.26 -2.41 116.57 115.47 3epk h LYS 37 Ca -0.05 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 3epk h LYS 37 Cb 0.41 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3epk h LYS 37 CO 0.09 0.23 0.00 1.19 -3.45 0.00 0.00 179.45 177.51 3epk n PHE 38 N -4.90 0.47 -3.01 1.91 3.72 0.15 -5.04 117.46 110.76 3epk n PHE 38 Ca 0.30 -0.70 -0.15 0.00 -0.05 0.00 0.00 57.45 56.86 3epk n PHE 38 Cb 0.97 -0.14 0.02 0.00 -0.94 0.00 0.00 39.48 39.38 3epk n PHE 38 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3epk n ASN 39 N -0.30 -7.35 -3.56 4.37 5.15 0.07 -4.66 115.26 108.97 3epk n ASN 39 Ca 0.13 0.43 -0.13 0.00 -0.60 0.00 0.00 54.58 54.42 3epk n ASN 39 Cb 0.58 -4.42 -0.05 0.00 -0.53 0.00 0.00 39.78 35.36 3epk n ASN 39 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3epk s GLY 40 N -2.23 1.18 0.01 8.20 0.00 0.21 -2.32 107.32 112.36 3epk s GLY 40 Ca 0.26 -1.34 0.05 0.00 0.00 0.00 0.00 44.72 43.69 3epk s GLY 40 CO 0.78 -0.92 -0.16 -0.54 0.00 0.00 0.00 173.10 172.26 3epk s GLU 41 N -3.44 1.23 0.27 2.90 2.02 -1.14 -4.70 118.70 115.83 3epk s GLU 41 Ca 0.29 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 3epk s GLU 41 Cb 0.00 -1.21 -0.09 0.00 0.10 0.00 0.00 34.13 32.93 3epk s GLU 41 CO 0.16 0.32 1.00 0.08 0.02 0.00 0.00 175.26 176.85 3epk s VAL 42 N -0.52 3.86 -0.41 2.63 1.01 -0.06 -1.45 120.40 125.46 3epk s VAL 42 Ca 0.05 1.82 0.02 0.00 0.00 0.00 0.00 61.98 63.87 3epk s VAL 42 Cb -0.07 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.30 3epk s VAL 42 CO 0.00 0.40 0.19 -0.63 0.00 0.00 0.00 175.10 175.06 3epk s ILE 43 N -1.23 1.49 0.47 2.22 1.01 -0.76 -0.53 121.20 123.87 3epk s ILE 43 Ca 0.44 -2.34 -0.23 0.00 0.00 0.00 0.00 60.65 58.52 3epk s ILE 43 Cb -0.27 -2.06 -0.09 0.00 0.01 0.00 0.00 42.46 40.05 3epk s ILE 43 CO 0.34 -0.81 1.06 -3.20 0.00 0.00 0.00 174.94 172.33 3epk n ASN 44 N 3.88 1.41 -2.66 3.58 2.85 -0.85 -2.12 115.26 121.35 3epk n ASN 44 Ca 0.05 0.98 -0.07 0.00 -0.11 0.00 0.00 54.58 55.44 3epk n ASN 44 Cb 0.37 -1.40 0.04 0.00 1.24 0.00 0.00 39.78 40.03 3epk n ASN 44 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3epk n SER 45 N 0.07 2.22 -4.24 1.20 3.41 -0.69 -4.79 113.62 110.79 3epk n SER 45 Ca 0.10 -2.49 -0.38 0.00 -0.26 0.00 0.00 58.87 55.84 3epk n SER 45 Cb 0.42 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 3epk n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3epk s ASP 46 N -3.64 5.35 0.62 4.04 -1.08 -1.26 -2.78 116.67 117.91 3epk s ASP 46 Ca 0.32 -1.37 0.22 0.00 -0.52 0.00 0.00 52.55 51.20 3epk s ASP 46 Cb 0.36 -1.88 0.90 0.00 -1.46 0.00 0.00 42.92 40.85 3epk s ASP 46 CO -0.02 -0.41 1.40 -1.28 0.52 0.00 0.00 175.17 175.39 3epk h SER 47 N 8.22 0.00 0.00 -0.34 0.87 -1.96 -1.06 113.55 119.29 3epk h SER 47 Ca -0.21 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.00 3epk h SER 47 Cb 1.08 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.97 3epk h SER 47 CO 0.65 0.00 -2.32 0.23 -0.53 0.00 0.00 176.83 174.86 3epk n MET 48 N -3.16 0.76 0.00 2.24 2.81 -1.26 -4.34 117.12 114.17 3epk n MET 48 Ca 0.14 0.07 0.03 0.00 -1.81 0.00 0.00 57.70 56.14 3epk n MET 48 Cb 1.18 -1.48 0.19 0.00 -0.71 0.00 0.00 33.22 32.41 3epk n MET 48 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3epk n GLN 49 N -2.97 0.17 0.00 0.03 6.02 -0.41 -1.78 117.38 118.44 3epk n GLN 49 Ca -0.37 0.10 0.15 0.00 -0.01 0.00 0.00 57.00 56.87 3epk n GLN 49 Cb 1.02 -1.50 0.68 0.00 1.02 0.00 0.00 30.24 31.45 3epk n GLN 49 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3epk n VAL 50 N -1.13 0.00 -3.64 5.09 0.24 -1.16 -0.45 118.33 117.28 3epk n VAL 50 Ca 0.04 -0.12 -0.32 0.00 -2.04 0.00 0.00 64.34 61.90 3epk n VAL 50 Cb 0.04 0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.38 3epk n VAL 50 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3epk s TYR 51 N -2.14 3.50 0.41 6.34 1.51 -0.73 -0.68 117.35 125.56 3epk s TYR 51 Ca 0.38 0.64 -0.24 0.00 -1.01 0.00 0.00 57.07 56.85 3epk s TYR 51 Cb 0.21 -2.06 -0.12 0.00 -0.11 0.00 0.00 41.96 39.88 3epk s TYR 51 CO 0.39 0.45 0.80 1.63 -1.11 0.00 0.00 175.55 177.71 3epk n LYS 52 N 0.34 0.95 0.00 -0.62 4.76 0.92 -4.36 118.16 120.15 3epk n LYS 52 Ca -0.04 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 3epk n LYS 52 Cb 0.52 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3epk n LYS 52 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3epk n ASP 53 N 0.87 0.00 -4.12 4.39 8.00 -1.26 -4.84 116.55 119.59 3epk n ASP 53 Ca 0.11 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.15 3epk n ASP 53 Cb 0.39 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.50 3epk n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3epk n ILE 54 N 0.00 -2.44 -0.07 0.53 3.06 -1.26 -4.92 119.36 114.27 3epk n ILE 54 Ca 0.00 -0.58 -0.12 0.00 -2.50 0.00 0.00 62.75 59.55 3epk n ILE 54 Cb 0.00 -2.09 -0.11 0.00 0.54 0.00 0.00 39.64 37.99 3epk n ILE 54 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 3epk h PRO 55 N -2.59 0.00 -0.41 9.51 0.13 -1.93 -3.25 132.00 133.47 3epk h PRO 55 Ca -0.71 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.46 3epk h PRO 55 Cb 1.40 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.47 3epk h PRO 55 CO 0.54 0.82 -0.38 0.82 -0.23 0.00 0.00 178.00 179.56 3epk h ILE 56 N -1.00 0.00 -0.18 -3.56 5.03 -1.92 0.59 117.51 116.47 3epk h ILE 56 Ca -0.01 0.00 -0.13 0.00 -0.12 0.00 0.00 64.86 64.60 3epk h ILE 56 Cb 0.83 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.61 3epk h ILE 56 CO -0.00 0.00 -0.45 0.16 -0.68 0.00 0.00 178.15 177.18 3epk h ILE 57 N -0.18 1.32 0.00 -0.67 3.07 -1.90 -1.78 117.51 117.36 3epk h ILE 57 Ca 0.07 -1.63 0.00 0.00 1.55 0.00 0.00 64.86 64.84 3epk h ILE 57 Cb 0.36 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 3epk h ILE 57 CO -0.48 0.50 0.00 1.07 -1.05 0.00 0.00 178.15 178.19 3epk n THR 58 N -4.00 0.00 -3.66 0.16 5.66 -1.01 -4.92 114.28 106.51 3epk n THR 58 Ca -0.02 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.70 3epk n THR 58 Cb 0.53 -0.46 0.01 0.00 -1.55 0.00 0.00 70.33 68.86 3epk n THR 58 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3epk n ASN 59 N -0.95 -4.77 -4.93 1.09 5.15 0.20 -4.71 115.26 106.35 3epk n ASN 59 Ca 0.21 -0.73 -0.25 0.00 -0.60 0.00 0.00 54.58 53.21 3epk n ASN 59 Cb 0.10 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 37.82 3epk n ASN 59 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3epk s LYS 60 N -4.15 3.37 -0.28 1.20 1.02 -0.99 -5.03 119.74 114.88 3epk s LYS 60 Ca 0.11 -0.13 -0.25 0.00 0.02 0.00 0.00 55.97 55.71 3epk s LYS 60 Cb -0.01 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3epk s LYS 60 CO 0.86 -0.14 0.87 -1.58 -0.92 0.00 0.00 175.35 174.44 3epk s HIS 61 N -2.58 3.25 0.34 3.18 2.46 -1.26 -4.95 115.29 115.72 3epk s HIS 61 Ca 0.46 1.06 -0.27 0.00 0.47 0.00 0.00 55.06 56.77 3epk s HIS 61 Cb -0.10 -3.23 -0.13 0.00 -0.13 0.00 0.00 32.58 28.99 3epk s HIS 61 CO 0.41 -0.53 1.16 -0.35 -2.47 0.00 0.00 174.74 172.96 3epk n PRO 62 N 6.25 1.76 -0.16 2.88 -0.04 -1.26 -4.89 135.00 139.53 3epk n PRO 62 Ca 0.06 0.62 -0.03 0.00 -0.04 0.00 0.00 63.50 64.12 3epk n PRO 62 Cb 0.48 -2.13 0.06 0.00 -0.04 0.00 0.00 33.50 31.87 3epk n PRO 62 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3epk h LEU 63 N 2.22 0.15 0.00 1.53 4.07 -2.00 -0.78 115.31 120.49 3epk h LEU 63 Ca -0.44 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.59 3epk h LEU 63 Cb 1.31 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.11 3epk h LEU 63 CO 0.61 0.11 0.00 0.00 -1.08 0.00 0.00 178.44 178.08 3epk n GLN 64 N -5.02 0.00 -0.25 1.13 10.64 -1.26 -0.70 117.38 121.92 3epk n GLN 64 Ca 0.05 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.23 3epk n GLN 64 Cb 0.21 -1.08 0.02 0.00 -0.86 0.00 0.00 30.24 28.52 3epk n GLN 64 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3epk n GLU 65 N -0.57 0.39 -0.08 2.61 1.02 -0.30 -4.75 120.64 118.95 3epk n GLU 65 Ca 0.00 -1.06 0.08 0.00 -0.02 0.00 0.00 57.16 56.17 3epk n GLU 65 Cb 0.00 -0.66 0.12 0.00 -0.02 0.00 0.00 31.44 30.88 3epk n GLU 65 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3epk n ARG 66 N -0.21 1.79 -1.82 3.49 1.74 0.12 -4.94 116.66 116.84 3epk n ARG 66 Ca 0.02 -1.76 -0.09 0.00 -0.77 0.00 0.00 57.85 55.25 3epk n ARG 66 Cb 0.59 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 30.66 3epk n ARG 66 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3epk n GLU 67 N 0.98 -1.78 -0.98 5.56 -0.58 -1.26 0.13 120.64 122.71 3epk n GLU 67 Ca 0.12 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 3epk n GLU 67 Cb 0.45 -4.83 0.00 0.00 -0.57 0.00 0.00 31.44 26.49 3epk n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3epk n GLY 68 N -0.42 0.66 3.67 0.62 0.00 -1.26 -4.98 105.19 103.47 3epk n GLY 68 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3epk n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3epk s ILE 69 N -2.70 3.39 0.39 -0.61 -1.09 0.35 -4.94 121.20 115.98 3epk s ILE 69 Ca 0.00 0.67 -0.26 0.00 -2.23 0.00 0.00 60.65 58.83 3epk s ILE 69 Cb 0.00 -3.43 -0.11 0.00 -1.58 0.00 0.00 42.46 37.34 3epk s ILE 69 CO 0.00 -0.03 1.23 -2.65 -1.23 0.00 0.00 174.94 172.26 3epk n PRO 70 N 6.31 1.89 -4.81 2.79 -0.02 -1.26 -4.79 135.00 135.11 3epk n PRO 70 Ca 0.16 0.67 -0.25 0.00 -2.02 0.00 0.00 63.50 62.06 3epk n PRO 70 Cb 0.42 -2.29 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 3epk n PRO 70 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3epk s HIS 71 N -1.16 1.65 0.30 6.00 3.76 -1.26 -0.88 115.29 123.69 3epk s HIS 71 Ca 0.59 -0.32 0.07 0.00 -0.15 0.00 0.00 55.06 55.25 3epk s HIS 71 Cb -0.55 -1.04 -0.06 0.00 1.11 0.00 0.00 32.58 32.04 3epk s HIS 71 CO 0.59 -0.00 -0.06 -1.01 -0.85 0.00 0.00 174.74 173.41 3epk s HIS 72 N -0.52 2.06 -1.37 1.40 3.76 0.31 -4.82 115.29 116.12 3epk s HIS 72 Ca 0.07 -0.66 -0.04 0.00 -0.15 0.00 0.00 55.06 54.28 3epk s HIS 72 Cb -0.07 -1.18 0.00 0.00 1.11 0.00 0.00 32.58 32.44 3epk s HIS 72 CO -0.00 0.35 0.45 0.28 -0.85 0.00 0.00 174.74 174.97 3epk n VAL 73 N -0.64 -3.29 -3.68 -0.90 0.31 -1.26 -2.00 118.33 106.87 3epk n VAL 73 Ca -0.05 -0.56 -0.10 0.00 -0.01 0.00 0.00 64.34 63.61 3epk n VAL 73 Cb 0.63 -2.76 -0.10 0.00 -0.91 0.00 0.00 33.84 30.71 3epk n VAL 73 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3epk s MET 74 N -6.56 0.49 -1.01 5.55 0.00 -1.26 -4.36 119.30 112.15 3epk s MET 74 Ca 0.08 0.89 -0.11 0.00 0.00 0.00 0.00 55.69 56.54 3epk s MET 74 Cb -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 34.83 34.82 3epk s MET 74 CO 0.90 -0.15 0.79 -1.71 0.00 0.00 0.00 175.02 174.84 3epk n ASN 75 N 4.13 -6.07 0.00 1.11 2.85 0.41 -4.92 115.26 112.77 3epk n ASN 75 Ca -0.22 -0.76 0.00 0.00 -0.11 0.00 0.00 54.58 53.49 3epk n ASN 75 Cb 0.56 -3.98 0.00 0.00 1.24 0.00 0.00 39.78 37.60 3epk n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3epk n HIS 76 N -3.34 0.00 -4.11 1.20 1.44 -0.80 -4.72 115.22 104.88 3epk n HIS 76 Ca -0.09 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.27 3epk n HIS 76 Cb 0.59 0.01 -0.09 0.00 0.12 0.00 0.00 29.99 30.63 3epk n HIS 76 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3epk s VAL 77 N 0.00 4.76 0.26 0.61 1.01 0.14 -4.89 120.40 122.28 3epk s VAL 77 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 3epk s VAL 77 Cb 0.00 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 3epk s VAL 77 CO 0.00 0.55 0.85 -0.62 0.00 0.00 0.00 175.10 175.87 3epk s ASP 78 N -0.35 7.29 0.17 3.32 2.15 -1.26 -0.06 116.67 127.92 3epk s ASP 78 Ca 0.09 1.68 0.08 0.00 0.43 0.00 0.00 52.55 54.83 3epk s ASP 78 Cb -0.12 -2.52 0.45 0.00 -0.30 0.00 0.00 42.92 40.44 3epk s ASP 78 CO 0.02 0.03 1.15 0.79 -0.17 0.00 0.00 175.17 176.99 3epk n TRP 79 N 0.86 0.28 0.18 -5.34 7.02 -1.26 -0.82 117.44 118.37 3epk n TRP 79 Ca -0.01 0.15 0.08 0.00 -1.02 0.00 0.00 57.50 56.69 3epk n TRP 79 Cb 0.50 -0.60 0.12 0.00 -2.42 0.00 0.00 31.31 28.91 3epk n TRP 79 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3epk h SER 80 N 0.00 0.00 -2.04 -0.99 4.64 -2.04 -3.45 113.55 109.66 3epk h SER 80 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3epk h SER 80 Cb 0.35 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.38 3epk h SER 80 CO 0.00 0.23 -0.54 -1.83 -0.87 0.00 0.00 176.83 173.83 3epk s GLU 81 N -3.12 2.62 -0.22 4.77 -1.05 -0.00 -5.12 118.70 116.58 3epk s GLU 81 Ca 0.05 -1.30 -0.02 0.00 -0.15 0.00 0.00 54.97 53.55 3epk s GLU 81 Cb 0.06 -2.37 0.01 0.00 -0.44 0.00 0.00 34.13 31.39 3epk s GLU 81 CO 0.70 0.25 -0.08 -1.21 0.95 0.00 0.00 175.26 175.87 3epk s GLU 82 N -3.84 3.13 0.87 -4.83 2.02 -1.26 -4.75 118.70 110.04 3epk s GLU 82 Ca 0.36 -0.78 -0.12 0.00 0.02 0.00 0.00 54.97 54.45 3epk s GLU 82 Cb -0.06 -2.91 0.11 0.00 0.10 0.00 0.00 34.13 31.38 3epk s GLU 82 CO 0.24 -0.26 1.10 -0.47 0.02 0.00 0.00 175.26 175.89 3epk s TYR 83 N 1.39 2.51 -0.00 1.61 5.04 -1.26 -5.00 117.35 121.64 3epk s TYR 83 Ca 0.04 1.13 -0.29 0.00 -2.44 0.00 0.00 57.07 55.50 3epk s TYR 83 Cb -0.15 -3.19 0.11 0.00 0.35 0.00 0.00 41.96 39.08 3epk s TYR 83 CO -0.06 -2.21 1.27 1.52 -1.34 0.00 0.00 175.55 174.73 3epk s TYR 84 N -3.07 -0.02 0.00 4.97 -0.85 -1.26 -4.89 117.35 112.23 3epk s TYR 84 Ca 0.63 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 57.07 3epk s TYR 84 Cb -0.16 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.74 3epk s TYR 84 CO 0.55 -0.31 0.78 0.43 -1.52 0.00 0.00 175.55 175.48 3epk n SER 85 N -0.70 0.00 0.24 -0.18 7.64 -1.26 -1.18 113.62 118.18 3epk n SER 85 Ca -0.05 0.78 0.18 0.00 1.01 0.00 0.00 58.87 60.79 3epk n SER 85 Cb 0.61 -0.33 0.88 0.00 -1.01 0.00 0.00 64.21 64.37 3epk n SER 85 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3epk h HIS 86 N 0.00 0.00 0.00 1.43 3.86 -1.98 0.58 115.15 119.04 3epk h HIS 86 Ca 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 3epk h HIS 86 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3epk h HIS 86 CO -0.61 0.00 -0.45 -0.09 0.86 0.00 0.00 177.93 177.63 3epk h ARG 87 N 0.00 0.00 0.15 2.45 9.65 -1.55 -2.77 114.38 122.31 3epk h ARG 87 Ca 0.07 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.61 3epk h ARG 87 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3epk h ARG 87 CO -0.00 0.45 -1.69 0.35 2.80 0.00 0.00 179.97 181.88 3epk h PHE 88 N 0.00 0.59 -0.49 2.20 3.57 0.10 -3.13 116.94 119.78 3epk h PHE 88 Ca -0.00 -0.43 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3epk h PHE 88 Cb 1.03 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3epk h PHE 88 CO 0.00 1.56 0.31 1.49 -2.23 0.00 0.00 178.31 179.44 3epk h GLU 89 N 0.09 0.66 -0.15 1.11 4.81 -0.83 0.66 114.58 120.91 3epk h GLU 89 Ca -0.31 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.78 3epk h GLU 89 Cb 2.06 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 31.30 3epk h GLU 89 CO 0.16 0.46 -0.25 1.79 -0.73 0.00 0.00 179.01 180.44 3epk h THR 90 N 0.66 1.36 -0.41 0.32 1.35 -1.65 -2.01 112.91 112.52 3epk h THR 90 Ca 0.18 -1.49 -0.06 0.00 -0.55 0.00 0.00 66.41 64.48 3epk h THR 90 Cb -0.04 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 3epk h THR 90 CO -0.04 0.44 0.00 -0.33 -0.25 0.00 0.00 175.52 175.35 3epk h GLU 91 N 0.07 0.72 -0.07 4.72 5.08 -1.45 -1.97 114.58 121.68 3epk h GLU 91 Ca 0.01 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3epk h GLU 91 Cb 0.83 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3epk h GLU 91 CO 0.06 0.80 0.02 0.00 -1.00 0.00 0.00 179.01 178.89 3epk h MET 93 N -0.11 0.81 -0.55 0.00 4.05 -1.37 -0.88 114.93 116.89 3epk h MET 93 Ca 0.02 -0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.45 3epk h MET 93 Cb 0.25 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 30.82 3epk h MET 93 CO 0.00 0.54 0.26 -0.91 0.23 0.00 0.00 176.91 177.02 3epk h ASN 94 N 0.84 0.34 -0.27 1.39 2.35 -1.32 0.25 115.58 119.16 3epk h ASN 94 Ca 0.24 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 56.04 3epk h ASN 94 Cb -0.07 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3epk h ASN 94 CO -0.07 0.23 0.17 0.00 -1.65 0.00 0.00 177.43 176.11 3epk h ALA 95 N 1.32 0.34 0.35 -0.83 0.00 -1.01 0.46 119.26 119.89 3epk h ALA 95 Ca 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3epk h ALA 95 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3epk h ALA 95 CO -0.20 -0.21 -0.40 0.82 0.00 0.00 0.00 179.25 179.26 3epk h ILE 96 N 0.34 0.19 -0.35 0.00 1.08 -0.38 0.31 117.51 118.70 3epk h ILE 96 Ca 0.10 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.61 3epk h ILE 96 Cb -0.02 0.19 -0.07 0.00 -3.07 0.00 0.00 36.82 33.86 3epk h ILE 96 CO -0.04 0.00 -0.45 -0.33 -0.69 0.00 0.00 178.15 176.64 3epk h GLU 97 N -0.79 -0.29 0.16 2.37 4.39 -0.28 -0.75 114.58 119.39 3epk h GLU 97 Ca -0.02 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.70 3epk h GLU 97 Cb 0.72 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 3epk h GLU 97 CO -0.09 -0.19 -0.44 0.22 -1.16 0.00 0.00 179.01 177.35 3epk h ASP 98 N -0.30 -1.30 -0.92 1.42 3.58 -0.66 -1.02 116.42 117.21 3epk h ASP 98 Ca 0.06 0.13 0.24 0.00 0.42 0.00 0.00 57.03 57.89 3epk h ASP 98 Cb 0.47 0.47 -0.05 0.00 1.72 0.00 0.00 39.33 41.94 3epk h ASP 98 CO -0.49 -0.48 0.63 0.40 -2.88 0.00 0.00 179.24 176.42 3epk h ILE 99 N -0.67 0.59 0.15 2.25 2.04 -0.16 -1.96 117.51 119.75 3epk h ILE 99 Ca -0.01 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3epk h ILE 99 Cb 0.65 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3epk h ILE 99 CO -0.21 0.03 -0.07 0.45 0.00 0.00 0.00 178.15 178.36 3epk h HIS 100 N 0.18 -0.18 0.00 1.37 3.86 -0.44 -1.48 115.15 118.45 3epk h HIS 100 Ca 0.46 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 3epk h HIS 100 Cb 1.51 0.06 0.00 0.00 1.06 0.00 0.00 27.41 30.04 3epk h HIS 100 CO -0.00 0.27 0.00 2.89 0.86 0.00 0.00 177.93 181.95 3epk n ARG 101 N -4.94 0.55 0.00 2.45 1.85 -0.45 -0.87 116.66 115.25 3epk n ARG 101 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 3epk n ARG 101 Cb 0.27 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 3epk n ARG 101 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3epk n ARG 102 N 1.07 0.00 -0.82 2.89 1.74 -1.19 -4.99 116.66 115.37 3epk n ARG 102 Ca 0.00 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 3epk n ARG 102 Cb 0.27 -0.38 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 3epk n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3epk n GLY 103 N 0.00 1.06 3.95 -0.13 0.00 -0.05 -5.01 105.19 105.01 3epk n GLY 103 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3epk n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3epk s LYS 104 N -0.13 2.95 -0.22 1.61 3.01 -0.56 -5.02 119.74 121.37 3epk s LYS 104 Ca 0.00 -0.40 0.01 0.00 -1.01 0.00 0.00 55.97 54.57 3epk s LYS 104 Cb 0.00 -2.47 0.04 0.00 -1.01 0.00 0.00 37.83 34.39 3epk s LYS 104 CO 0.00 -0.45 -0.13 -1.50 0.51 0.00 0.00 175.35 173.77 3epk s ILE 105 N -2.71 2.30 0.61 2.17 2.07 -0.98 -3.94 121.20 120.72 3epk s ILE 105 Ca 0.51 -1.20 -0.19 0.00 -1.41 0.00 0.00 60.65 58.36 3epk s ILE 105 Cb -0.10 -2.15 -0.03 0.00 0.13 0.00 0.00 42.46 40.30 3epk s ILE 105 CO 0.40 0.26 1.27 -2.65 -1.91 0.00 0.00 174.94 172.31 3epk n PRO 106 N 4.57 1.28 -3.44 3.50 -0.02 -1.26 -2.86 135.00 136.77 3epk n PRO 106 Ca -0.17 0.49 -0.26 0.00 -2.02 0.00 0.00 63.50 61.53 3epk n PRO 106 Cb 0.47 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 3epk n PRO 106 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3epk s ILE 107 N -1.37 0.04 -0.16 4.25 1.01 -0.53 -2.40 121.20 122.05 3epk s ILE 107 Ca 0.78 -1.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 3epk s ILE 107 Cb -0.40 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 3epk s ILE 107 CO 0.44 -0.91 1.23 0.54 0.00 0.00 0.00 174.94 176.23 3epk s VAL 108 N 1.11 4.33 -0.10 2.92 0.11 -0.85 -1.83 120.40 126.09 3epk s VAL 108 Ca 0.18 1.61 0.00 0.00 -2.93 0.00 0.00 61.98 60.85 3epk s VAL 108 Cb -0.21 -4.04 0.02 0.00 -1.53 0.00 0.00 36.38 30.62 3epk s VAL 108 CO -0.00 -0.13 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.86 3epk s VAL 109 N 3.31 1.10 -0.10 2.04 1.01 -0.90 -1.85 120.40 125.02 3epk s VAL 109 Ca 0.53 -0.37 -0.33 0.00 0.00 0.00 0.00 61.98 61.82 3epk s VAL 109 Cb -0.21 -1.08 0.13 0.00 0.00 0.00 0.00 36.38 35.22 3epk s VAL 109 CO 0.14 0.37 1.32 -0.83 0.00 0.00 0.00 175.10 176.11 3epk s GLY 110 N 1.41 -0.39 0.00 4.51 0.00 -1.24 -1.71 107.32 109.90 3epk s GLY 110 Ca -0.00 1.05 0.23 0.00 0.00 0.00 0.00 44.72 46.00 3epk s GLY 110 CO -0.05 0.26 1.14 0.61 0.00 0.00 0.00 173.10 175.06 3epk n GLY 111 N -0.37 -0.44 2.66 0.20 0.00 -1.25 -4.54 105.19 101.44 3epk n GLY 111 Ca -0.06 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 3epk n GLY 111 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3epk n THR 112 N -0.63 4.40 0.13 2.61 -1.04 -1.12 -4.75 114.28 113.88 3epk n THR 112 Ca 0.08 -3.84 0.19 0.00 -2.04 0.00 0.00 64.05 58.43 3epk n THR 112 Cb 0.40 -2.37 0.66 0.00 -1.82 0.00 0.00 70.33 67.20 3epk n THR 112 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3epk h HIS 113 N 5.39 0.00 -0.18 -1.42 -0.00 -1.83 -0.95 115.15 116.15 3epk h HIS 113 Ca 0.58 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.98 3epk h HIS 113 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.88 3epk h HIS 113 CO 1.48 0.00 -0.00 -0.92 -0.00 0.00 0.00 177.93 178.49 3epk h TYR 114 N 0.00 -0.01 -0.53 2.45 3.20 -1.95 -2.13 116.97 118.00 3epk h TYR 114 Ca 0.17 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.21 3epk h TYR 114 Cb 1.33 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 3epk h TYR 114 CO 0.00 -0.03 0.38 1.88 -1.64 0.00 0.00 178.16 178.75 3epk h TYR 115 N 0.06 0.03 -0.80 -3.82 0.05 -1.52 -1.60 116.97 109.37 3epk h TYR 115 Ca 0.09 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.10 3epk h TYR 115 Cb 0.11 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3epk h TYR 115 CO -0.17 0.01 0.68 -0.07 -1.05 0.00 0.00 178.16 177.56 3epk h LEU 116 N 0.03 0.00 -1.81 3.88 4.07 -1.51 -0.46 115.31 119.51 3epk h LEU 116 Ca 0.25 0.00 0.23 0.00 0.08 0.00 0.00 57.88 58.44 3epk h LEU 116 Cb 0.98 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.68 3epk h LEU 116 CO -0.01 0.00 0.73 1.56 -1.08 0.00 0.00 178.44 179.64 3epk h GLN 117 N 0.00 0.00 0.00 1.13 4.20 -1.44 0.70 115.11 119.70 3epk h GLN 117 Ca 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.07 3epk h GLN 117 Cb 1.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.51 3epk h GLN 117 CO -0.00 0.00 -0.07 0.00 -0.67 0.00 0.00 178.83 178.08 3epk h THR 118 N 0.00 0.85 0.00 -0.54 1.03 -1.32 -1.56 112.91 111.37 3epk h THR 118 Ca 0.38 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.51 3epk h THR 118 Cb 1.84 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 70.07 3epk h THR 118 CO -0.00 0.07 0.00 0.18 -0.01 0.00 0.00 175.52 175.76 3epk n LEU 119 N -4.16 0.00 -2.93 0.00 4.77 0.24 -3.40 117.00 111.52 3epk n LEU 119 Ca -0.03 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.31 3epk n LEU 119 Cb 0.16 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 40.78 3epk n LEU 119 CO 0.32 -0.32 0.03 2.22 -1.33 0.00 0.00 177.39 178.32 3epk n PHE 120 N -1.49 -0.88 -2.86 -1.77 1.16 -0.61 -2.25 117.46 108.76 3epk n PHE 120 Ca 0.03 -2.98 -0.07 0.00 -1.87 0.00 0.00 57.45 52.56 3epk n PHE 120 Cb 0.12 0.41 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 3epk n PHE 120 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3epk n ASN 121 N 0.18 -1.32 -3.24 5.98 4.13 -1.19 -4.11 115.26 115.69 3epk n ASN 121 Ca 0.14 -0.27 -0.26 0.00 1.68 0.00 0.00 54.58 55.87 3epk n ASN 121 Cb 0.71 -0.44 -0.06 0.00 -1.54 0.00 0.00 39.78 38.45 3epk n ASN 121 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3epk n LYS 122 N -1.09 2.57 -3.82 3.52 3.00 -1.07 -3.82 118.16 117.45 3epk n LYS 122 Ca -0.09 -4.58 -0.04 0.00 -0.00 0.00 0.00 58.31 53.60 3epk n LYS 122 Cb 0.19 -2.15 0.01 0.00 0.00 0.00 0.00 35.03 33.07 3epk n LYS 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3epk s ARG 123 N -2.71 1.44 -0.11 1.64 1.04 -1.26 -4.78 118.95 114.21 3epk s ARG 123 Ca 0.43 -0.88 0.02 0.00 -1.04 0.00 0.00 55.73 54.26 3epk s ARG 123 Cb 0.20 0.44 0.01 0.00 -2.04 0.00 0.00 34.95 33.56 3epk s ARG 123 CO -0.06 -0.67 -0.16 0.08 -0.04 0.00 0.00 175.30 174.44 3epk s VAL 124 N -2.69 1.56 -0.71 4.99 1.01 -1.26 -5.09 120.40 118.22 3epk s VAL 124 Ca 0.17 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 3epk s VAL 124 Cb -0.03 -1.41 0.07 0.00 0.00 0.00 0.00 36.38 35.01 3epk s VAL 124 CO 0.05 0.45 1.02 -0.62 0.00 0.00 0.00 175.10 176.01 3epk s ASP 125 N 0.86 6.23 0.00 3.32 -1.08 -1.26 -4.82 116.67 119.93 3epk s ASP 125 Ca -0.09 -1.07 0.24 0.00 -0.52 0.00 0.00 52.55 51.11 3epk s ASP 125 Cb -0.15 -2.43 0.27 0.00 -1.46 0.00 0.00 42.92 39.14 3epk s ASP 125 CO 0.00 -1.44 1.29 0.35 0.52 0.00 0.00 175.17 175.90 3epk n THR 126 N 5.95 0.00 -0.04 1.71 -2.24 -1.26 -4.29 114.28 114.11 3epk n THR 126 Ca 0.01 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3epk n THR 126 Cb 0.46 1.31 -0.00 0.00 -2.10 0.00 0.00 70.33 70.00 3epk n THR 126 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3epk h LYS 127 N 3.90 0.00 -0.26 -0.78 1.57 -1.98 -3.34 116.57 115.68 3epk h LYS 127 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3epk h LYS 127 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3epk h LYS 127 CO 0.00 0.00 0.30 0.66 -0.57 0.00 0.00 179.45 179.84 3epk h SER 128 N -0.69 0.00 -2.70 0.86 4.64 -2.00 -3.12 113.55 110.54 3epk h SER 128 Ca 0.00 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.53 3epk h SER 128 Cb 0.02 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.87 3epk h SER 128 CO 0.00 0.00 1.00 -1.20 -0.87 0.00 0.00 176.83 175.76 3epk n SER 129 N -3.70 5.85 -4.75 4.97 7.64 -1.25 -5.03 113.62 117.35 3epk n SER 129 Ca 0.04 -3.23 -0.34 0.00 1.01 0.00 0.00 58.87 56.34 3epk n SER 129 Cb 0.44 -1.36 0.05 0.00 -1.01 0.00 0.00 64.21 62.32 3epk n SER 129 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3epk s GLU 130 N -1.43 2.75 -0.30 1.43 1.03 -1.18 -4.67 118.70 116.33 3epk s GLU 130 Ca 0.34 1.64 -0.12 0.00 0.03 0.00 0.00 54.97 56.86 3epk s GLU 130 Cb 0.02 -1.92 0.18 0.00 -0.80 0.00 0.00 34.13 31.60 3epk s GLU 130 CO 0.03 -1.34 0.97 0.50 -1.33 0.00 0.00 175.26 174.09 3epk s ARG 131 N -3.72 0.28 -0.28 -4.83 6.06 -1.26 -5.01 118.95 110.18 3epk s ARG 131 Ca 0.73 0.56 -0.30 0.00 -2.50 0.00 0.00 55.73 54.21 3epk s ARG 131 Cb -0.26 0.32 -0.07 0.00 0.06 0.00 0.00 34.95 35.00 3epk s ARG 131 CO 0.38 -0.23 2.23 1.63 -2.50 0.00 0.00 175.30 176.81 3epk n LYS 132 N 5.29 1.59 -1.99 5.12 4.76 -1.26 -4.87 118.16 126.81 3epk n LYS 132 Ca -0.07 0.42 -0.41 0.00 -2.87 0.00 0.00 58.31 55.38 3epk n LYS 132 Cb 0.53 -2.97 -0.01 0.00 -1.84 0.00 0.00 35.03 30.74 3epk n LYS 132 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3epk s LEU 133 N 8.19 4.38 0.27 -0.35 2.01 -1.26 -5.00 118.68 126.93 3epk s LEU 133 Ca 1.04 2.84 -0.17 0.00 0.01 0.00 0.00 54.13 57.85 3epk s LEU 133 Cb -0.52 -3.66 -0.09 0.00 0.01 0.00 0.00 46.19 41.94 3epk s LEU 133 CO 0.40 -0.67 0.72 -0.89 1.01 0.00 0.00 176.35 176.92 3epk s THR 134 N -1.13 4.63 0.29 5.49 2.01 -1.26 -4.89 115.64 120.78 3epk s THR 134 Ca 0.50 1.10 0.03 0.00 0.31 0.00 0.00 61.69 63.64 3epk s THR 134 Cb -0.42 -3.73 0.29 0.00 0.01 0.00 0.00 72.50 68.65 3epk s THR 134 CO 0.57 0.01 1.68 -0.09 -0.69 0.00 0.00 174.62 176.10 3epk h ARG 135 N 2.85 0.31 0.09 4.92 1.12 -1.98 0.33 114.38 122.01 3epk h ARG 135 Ca -0.48 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.37 3epk h ARG 135 Cb 1.18 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.07 3epk h ARG 135 CO 0.65 0.21 -0.04 0.87 -3.11 0.00 0.00 179.97 178.55 3epk h LYS 136 N 0.32 -0.11 0.16 0.20 1.57 -1.99 0.00 116.57 116.72 3epk h LYS 136 Ca 0.56 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.34 3epk h LYS 136 Cb 1.09 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 3epk h LYS 136 CO -0.57 0.02 -0.09 1.96 -0.57 0.00 0.00 179.45 180.20 3epk h GLN 137 N -0.22 -0.23 -0.11 3.15 4.20 -1.26 -2.86 115.11 117.78 3epk h GLN 137 Ca -0.01 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3epk h GLN 137 Cb 0.19 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3epk h GLN 137 CO 0.02 -0.15 -0.07 -0.07 -0.67 0.00 0.00 178.83 177.89 3epk h LEU 138 N -0.24 -0.23 -1.93 1.46 3.38 -0.44 -1.33 115.31 115.98 3epk h LEU 138 Ca -0.02 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.23 3epk h LEU 138 Cb 0.20 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3epk h LEU 138 CO 0.02 -0.10 0.63 0.44 0.09 0.00 0.00 178.44 179.52 3epk h ASP 139 N -0.07 0.00 0.04 -0.43 3.45 -0.87 0.23 116.42 118.76 3epk h ASP 139 Ca 0.07 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.46 3epk h ASP 139 Cb 0.17 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.95 3epk h ASP 139 CO -0.15 0.00 -0.27 0.40 -1.57 0.00 0.00 179.24 177.64 3epk h ILE 140 N 0.00 1.66 0.43 0.35 2.04 -1.05 -3.18 117.51 117.76 3epk h ILE 140 Ca 0.36 -2.30 -0.02 0.00 1.00 0.00 0.00 64.86 63.90 3epk h ILE 140 Cb 1.62 3.20 0.00 0.00 -0.74 0.00 0.00 36.82 40.90 3epk h ILE 140 CO -0.00 0.62 -0.23 -0.07 0.00 0.00 0.00 178.15 178.46 3epk h LEU 141 N -0.72 -0.57 -3.21 1.44 3.38 0.14 -2.89 115.31 112.88 3epk h LEU 141 Ca -0.05 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3epk h LEU 141 Cb 1.17 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3epk h LEU 141 CO 0.05 -0.38 -0.06 -1.84 0.09 0.00 0.00 178.44 176.30 3epk n GLU 142 N -3.75 1.22 -3.16 1.13 0.28 0.52 -4.88 120.64 111.99 3epk n GLU 142 Ca -0.08 -0.24 -0.36 0.00 -0.16 0.00 0.00 57.16 56.32 3epk n GLU 142 Cb 0.25 -1.21 -0.06 0.00 1.43 0.00 0.00 31.44 31.84 3epk n GLU 142 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3epk s SER 143 N 1.95 7.02 0.25 -1.84 0.15 -1.09 -4.90 113.70 115.22 3epk s SER 143 Ca 0.14 1.34 -0.02 0.00 0.70 0.00 0.00 55.95 58.12 3epk s SER 143 Cb 0.07 -2.39 0.29 0.00 -1.71 0.00 0.00 66.02 62.28 3epk s SER 143 CO -0.00 0.07 1.69 0.71 1.20 0.00 0.00 173.24 176.91 3epk h THR 144 N 2.82 1.26 -3.87 6.45 1.35 -1.90 -3.44 112.91 115.59 3epk h THR 144 Ca -0.48 -1.23 -0.51 0.00 -0.55 0.00 0.00 66.41 63.64 3epk h THR 144 Cb 1.19 1.17 0.04 0.00 -1.73 0.00 0.00 68.15 68.82 3epk h THR 144 CO 0.65 0.41 0.52 -0.62 -0.25 0.00 0.00 175.52 176.23 3epk s ASP 145 N -6.74 6.90 -0.12 5.36 2.15 -1.26 -5.00 116.67 117.96 3epk s ASP 145 Ca -0.09 2.38 -0.10 0.00 0.43 0.00 0.00 52.55 55.17 3epk s ASP 145 Cb 0.14 -2.63 -0.09 0.00 -0.30 0.00 0.00 42.92 40.04 3epk s ASP 145 CO 0.81 -0.41 0.24 1.55 -0.17 0.00 0.00 175.17 177.19 3epk h PRO 146 N 3.29 0.00 0.00 4.34 0.13 -1.98 -3.37 132.00 134.41 3epk h PRO 146 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3epk h PRO 146 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3epk h PRO 146 CO 0.65 0.33 0.00 -0.40 -0.23 0.00 0.00 178.00 178.35 3epk n ASP 147 N -4.71 0.00 -0.03 1.44 5.75 -1.26 -3.13 116.55 114.60 3epk n ASP 147 Ca -0.04 0.08 -0.15 0.00 -0.01 0.00 0.00 54.79 54.66 3epk n ASP 147 Cb 0.17 -0.27 -0.09 0.00 -1.03 0.00 0.00 41.12 39.91 3epk n ASP 147 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3epk h VAL 148 N 0.00 1.39 0.00 2.12 3.04 -1.97 -2.52 116.25 118.31 3epk h VAL 148 Ca 0.00 -1.74 -0.06 0.00 -1.01 0.00 0.00 66.70 63.89 3epk h VAL 148 Cb 0.12 2.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 3epk h VAL 148 CO 0.00 0.52 -0.28 -0.29 -1.01 0.00 0.00 177.57 176.51 3epk h ILE 149 N 0.02 1.05 0.11 3.17 2.10 -1.75 -2.50 117.51 119.71 3epk h ILE 149 Ca -0.02 -1.00 -0.01 0.00 1.08 0.00 0.00 64.86 64.91 3epk h ILE 149 Cb 1.04 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 38.33 3epk h ILE 149 CO 0.08 0.27 -0.05 0.22 -1.08 0.00 0.00 178.15 177.59 3epk h TYR 150 N 0.00 -0.13 -0.51 2.19 3.20 -1.67 -2.76 116.97 117.29 3epk h TYR 150 Ca -0.00 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.00 3epk h TYR 150 Cb 0.54 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3epk h TYR 150 CO 0.00 0.34 0.36 -0.91 -1.64 0.00 0.00 178.16 176.31 3epk h ASN 151 N -0.70 0.07 -0.17 -2.11 2.35 -1.33 0.29 115.58 113.97 3epk h ASN 151 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3epk h ASN 151 Cb 0.54 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3epk h ASN 151 CO 0.02 0.04 -0.00 0.74 -1.65 0.00 0.00 177.43 176.58 3epk h THR 152 N 0.08 1.26 -0.29 2.81 2.02 -1.38 -2.03 112.91 115.37 3epk h THR 152 Ca 0.24 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 3epk h THR 152 Cb 0.86 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 3epk h THR 152 CO -0.02 0.26 0.09 0.25 0.37 0.00 0.00 175.52 176.48 3epk h LEU 153 N 0.06 0.41 -2.00 2.58 5.85 -0.54 -1.87 115.31 119.80 3epk h LEU 153 Ca 0.05 -0.20 0.17 0.00 0.84 0.00 0.00 57.88 58.74 3epk h LEU 153 Cb 0.39 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3epk h LEU 153 CO 0.01 0.50 0.46 0.58 -0.34 0.00 0.00 178.44 179.65 3epk h VAL 154 N 0.30 0.59 0.11 1.05 2.07 -0.45 -2.51 116.25 117.41 3epk h VAL 154 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3epk h VAL 154 Cb 0.23 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3epk h VAL 154 CO -0.00 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.03 3epk h LYS 155 N 0.00 -0.14 -5.44 1.57 1.63 -0.61 -3.28 116.57 110.30 3epk h LYS 155 Ca 0.28 0.01 -0.63 0.00 -0.85 0.00 0.00 60.65 59.45 3epk h LYS 155 Cb 1.19 0.03 -0.15 0.00 -0.60 0.00 0.00 32.23 32.71 3epk h LYS 155 CO -0.00 -0.10 0.52 0.00 -3.45 0.00 0.00 179.45 176.43 3epk n ASP 157 N 7.63 -2.79 0.16 0.00 4.64 -1.25 -4.73 116.55 120.21 3epk n ASP 157 Ca -0.04 0.01 0.13 0.00 -1.38 0.00 0.00 54.79 53.51 3epk n ASP 157 Cb 0.45 -1.59 0.48 0.00 -1.04 0.00 0.00 41.12 39.42 3epk n ASP 157 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3epk h PRO 158 N 0.11 0.00 0.00 -0.67 0.13 -1.69 -3.16 132.00 126.72 3epk h PRO 158 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3epk h PRO 158 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 3epk h PRO 158 CO 0.04 0.00 -0.07 -0.44 -0.23 0.00 0.00 178.00 177.30 3epk h ASP 159 N 0.00 0.00 0.27 1.44 3.32 -1.91 -2.22 116.42 117.32 3epk h ASP 159 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3epk h ASP 159 Cb 0.54 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.04 3epk h ASP 159 CO 0.00 0.07 -2.01 0.00 -1.72 0.00 0.00 179.24 175.58 3epk n ILE 160 N -3.29 1.50 0.53 0.35 0.13 -1.19 -3.97 119.36 113.41 3epk n ILE 160 Ca -0.01 -0.82 0.10 0.00 -1.10 0.00 0.00 62.75 60.92 3epk n ILE 160 Cb 0.26 -0.77 0.42 0.00 -0.84 0.00 0.00 39.64 38.71 3epk n ILE 160 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3epk n ALA 161 N -2.64 1.79 1.27 1.51 0.00 -1.00 -1.97 120.51 119.47 3epk n ALA 161 Ca -0.24 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.32 3epk n ALA 161 Cb 1.09 -1.33 0.35 0.00 0.00 0.00 0.00 19.45 19.56 3epk n ALA 161 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3epk n THR 162 N -1.82 0.00 0.81 0.00 5.66 -0.87 -3.60 114.28 114.46 3epk n THR 162 Ca 0.04 -0.22 0.10 0.00 -3.05 0.00 0.00 64.05 60.91 3epk n THR 162 Cb 0.23 0.66 0.07 0.00 -1.55 0.00 0.00 70.33 69.73 3epk n THR 162 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3epk n LYS 163 N -0.08 1.67 -4.81 1.09 5.02 -0.83 -4.74 118.16 115.47 3epk n LYS 163 Ca 0.14 -1.51 -0.25 0.00 -2.02 0.00 0.00 58.31 54.66 3epk n LYS 163 Cb 0.39 -1.37 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 3epk n LYS 163 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3epk s TYR 164 N -1.71 1.64 0.39 2.13 1.51 -1.24 -5.12 117.35 114.95 3epk s TYR 164 Ca 0.21 -0.43 -0.26 0.00 -1.01 0.00 0.00 57.07 55.59 3epk s TYR 164 Cb 0.16 -1.09 -0.09 0.00 -0.11 0.00 0.00 41.96 40.83 3epk s TYR 164 CO 0.28 -0.13 1.22 -1.58 -1.11 0.00 0.00 175.55 174.24 3epk s HIS 165 N -0.07 2.99 -2.00 2.71 5.65 -1.26 -4.88 115.29 118.44 3epk s HIS 165 Ca -0.01 1.50 0.03 0.00 0.25 0.00 0.00 55.06 56.83 3epk s HIS 165 Cb -0.10 -3.50 0.19 0.00 -1.18 0.00 0.00 32.58 27.98 3epk s HIS 165 CO 0.01 -1.59 0.63 -0.35 -0.65 0.00 0.00 174.74 172.79 3epk n PRO 166 N 0.16 0.11 0.00 2.88 -0.04 -1.26 -1.34 135.00 135.52 3epk n PRO 166 Ca 0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 3epk n PRO 166 Cb 0.45 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 3epk n PRO 166 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3epk n ASN 167 N -0.94 0.69 -3.67 3.54 4.13 -1.26 -4.71 115.26 113.04 3epk n ASN 167 Ca 0.02 -0.85 -0.42 0.00 1.68 0.00 0.00 54.58 55.02 3epk n ASN 167 Cb 0.01 0.85 -0.00 0.00 -1.54 0.00 0.00 39.78 39.09 3epk n ASN 167 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3epk n ASP 168 N -0.95 4.65 -0.02 6.41 4.64 -0.45 -4.78 116.55 126.05 3epk n ASP 168 Ca 0.03 -2.80 -0.14 0.00 -1.38 0.00 0.00 54.79 50.50 3epk n ASP 168 Cb 0.17 -1.64 -0.08 0.00 -1.04 0.00 0.00 41.12 38.53 3epk n ASP 168 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3epk h TYR 169 N 5.84 -1.44 -0.73 -0.67 3.20 -1.85 0.53 116.97 121.85 3epk h TYR 169 Ca 0.62 0.06 0.12 0.00 3.14 0.00 0.00 58.73 62.67 3epk h TYR 169 Cb 0.58 0.65 -0.13 0.00 1.54 0.00 0.00 36.73 39.37 3epk h TYR 169 CO 1.52 -0.51 -0.34 0.00 -1.64 0.00 0.00 178.16 177.19 3epk h ARG 170 N -0.53 -0.10 -0.00 1.82 3.08 -2.00 0.13 114.38 116.79 3epk h ARG 170 Ca 0.06 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3epk h ARG 170 Cb 0.66 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3epk h ARG 170 CO -0.44 -0.06 -0.05 0.00 -1.07 0.00 0.00 179.97 178.35 3epk h ARG 171 N -0.10 0.03 -0.99 0.04 3.08 -1.92 -2.31 114.38 112.22 3epk h ARG 171 Ca 0.28 -0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.50 3epk h ARG 171 Cb 0.57 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.53 3epk h ARG 171 CO -0.79 0.82 0.62 0.28 -1.07 0.00 0.00 179.97 179.83 3epk h VAL 172 N -0.74 0.68 -0.10 2.04 2.07 -0.71 0.33 116.25 119.82 3epk h VAL 172 Ca -0.01 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3epk h VAL 172 Cb 0.83 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3epk h VAL 172 CO 0.01 0.12 0.02 -0.61 0.02 0.00 0.00 177.57 177.12 3epk h GLN 173 N 0.64 0.17 -0.48 1.57 4.15 -1.00 -2.84 115.11 117.32 3epk h GLN 173 Ca 0.56 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 60.01 3epk h GLN 173 Cb 1.03 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.63 3epk h GLN 173 CO -0.32 0.37 0.09 -0.09 -1.93 0.00 0.00 178.83 176.95 3epk h ARG 174 N -0.05 0.22 -0.67 1.69 9.65 0.11 -0.37 114.38 124.96 3epk h ARG 174 Ca 0.03 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.96 3epk h ARG 174 Cb 0.28 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 3epk h ARG 174 CO 0.00 0.14 0.36 0.52 2.80 0.00 0.00 179.97 183.80 3epk h MET 175 N 0.22 0.64 -0.51 0.20 2.86 -0.66 -1.76 114.93 115.92 3epk h MET 175 Ca 0.24 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3epk h MET 175 Cb 0.32 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3epk h MET 175 CO -0.32 0.42 -0.07 1.25 1.06 0.00 0.00 176.91 179.26 3epk h LEU 176 N 0.66 0.90 -1.91 1.22 6.46 -1.10 -1.76 115.31 119.78 3epk h LEU 176 Ca 0.30 -0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3epk h LEU 176 Cb 0.21 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.90 3epk h LEU 176 CO -0.20 1.00 0.03 -0.08 -0.62 0.00 0.00 178.44 178.58 3epk h GLU 177 N 0.83 0.09 0.07 1.25 4.81 -0.30 -2.16 114.58 119.17 3epk h GLU 177 Ca 0.14 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 3epk h GLU 177 Cb 0.59 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.97 3epk h GLU 177 CO 0.04 0.07 -0.72 0.82 -0.73 0.00 0.00 179.01 178.49 3epk h ILE 178 N 0.10 1.46 -0.26 2.32 2.04 -0.74 -2.40 117.51 120.03 3epk h ILE 178 Ca 0.03 -2.30 0.08 0.00 1.00 0.00 0.00 64.86 63.66 3epk h ILE 178 Cb 0.01 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 3epk h ILE 178 CO -0.00 0.66 0.30 0.22 0.00 0.00 0.00 178.15 179.33 3epk h TYR 179 N -0.21 0.00 0.00 1.37 3.20 -0.72 -1.31 116.97 119.30 3epk h TYR 179 Ca -0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3epk h TYR 179 Cb 1.48 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.75 3epk h TYR 179 CO 0.17 0.00 -0.16 1.88 -1.64 0.00 0.00 178.16 178.41 3epk h TYR 180 N 0.00 0.00 -0.70 -3.82 0.99 -1.44 -2.37 116.97 109.63 3epk h TYR 180 Ca 0.12 0.00 0.20 0.00 2.00 0.00 0.00 58.73 61.06 3epk h TYR 180 Cb 0.73 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.43 3epk h TYR 180 CO 0.00 0.00 0.63 0.87 -0.00 0.00 0.00 178.16 179.66 3epk h LYS 181 N -0.38 0.00 0.00 4.88 1.57 -1.35 -0.40 116.57 120.89 3epk h LYS 181 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3epk h LYS 181 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3epk h LYS 181 CO 0.00 0.00 -0.93 0.25 -0.57 0.00 0.00 179.45 178.20 3epk n THR 182 N -3.87 0.00 -1.63 -0.16 -2.24 -0.50 -4.59 114.28 101.29 3epk n THR 182 Ca 0.14 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 3epk n THR 182 Cb 0.88 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 3epk n THR 182 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3epk n GLY 183 N 1.48 1.33 3.09 3.38 0.00 -0.16 -4.93 105.19 109.38 3epk n GLY 183 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3epk n GLY 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3epk s LYS 184 N -3.68 1.67 -0.05 1.61 2.20 -1.23 -5.00 119.74 115.27 3epk s LYS 184 Ca 0.00 -0.52 -0.35 0.00 -0.36 0.00 0.00 55.97 54.73 3epk s LYS 184 Cb 0.00 -1.44 -0.13 0.00 -1.51 0.00 0.00 37.83 34.75 3epk s LYS 184 CO 0.00 0.17 1.74 1.63 -0.36 0.00 0.00 175.35 178.52 3epk n LYS 185 N 3.34 1.90 -0.04 4.03 5.02 -1.26 -4.25 118.16 126.89 3epk n LYS 185 Ca -0.19 0.69 0.03 0.00 -2.02 0.00 0.00 58.31 56.82 3epk n LYS 185 Cb 0.53 -2.47 0.39 0.00 -0.02 0.00 0.00 35.03 33.46 3epk n LYS 185 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3epk h PRO 186 N 7.65 0.62 -0.84 1.97 0.13 -1.91 -1.48 132.00 138.14 3epk h PRO 186 Ca -0.47 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3epk h PRO 186 Cb 1.28 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 3epk h PRO 186 CO 0.92 0.42 0.55 0.66 -0.23 0.00 0.00 178.00 180.32 3epk h SER 187 N 0.64 0.95 -0.11 1.44 4.64 -1.91 -2.10 113.55 117.10 3epk h SER 187 Ca 0.17 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 3epk h SER 187 Cb -0.07 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 3epk h SER 187 CO -0.04 0.69 -0.43 -0.33 -0.87 0.00 0.00 176.83 175.85 3epk h GLU 188 N 1.12 0.49 -0.75 4.77 5.08 -1.69 -2.96 114.58 120.65 3epk h GLU 188 Ca 0.31 -0.38 0.20 0.00 -1.00 0.00 0.00 59.36 58.49 3epk h GLU 188 Cb -0.11 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3epk h GLU 188 CO -0.07 1.00 0.52 1.15 -1.00 0.00 0.00 179.01 180.62 3epk h THR 189 N 0.09 0.67 0.04 1.13 2.02 -0.79 -0.07 112.91 116.00 3epk h THR 189 Ca -0.02 -0.04 -0.26 0.00 0.77 0.00 0.00 66.41 66.86 3epk h THR 189 Cb 1.06 0.54 0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3epk h THR 189 CO 0.09 0.02 -1.08 -0.26 0.37 0.00 0.00 175.52 174.67 3epk h PHE 190 N 0.11 0.84 0.00 3.16 0.05 -1.32 -3.02 116.94 116.76 3epk h PHE 190 Ca 0.36 -0.49 0.00 0.00 3.82 0.00 0.00 57.97 61.67 3epk h PHE 190 Cb 1.27 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 39.13 3epk h PHE 190 CO -0.00 1.32 0.00 0.09 -0.18 0.00 0.00 178.31 179.54 3epk n ASN 191 N -3.77 0.00 -0.69 2.17 3.02 -0.11 -2.16 115.26 113.72 3epk n ASN 191 Ca -0.10 0.32 0.06 0.00 -0.03 0.00 0.00 54.58 54.83 3epk n ASN 191 Cb 0.90 -0.42 0.18 0.00 -0.61 0.00 0.00 39.78 39.84 3epk n ASN 191 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3epk n GLU 192 N -1.42 2.88 -2.24 3.52 1.02 -0.79 -5.02 120.64 118.60 3epk n GLU 192 Ca 0.06 -2.30 -0.27 0.00 -0.02 0.00 0.00 57.16 54.63 3epk n GLU 192 Cb 0.18 -1.46 0.05 0.00 -0.02 0.00 0.00 31.44 30.19 3epk n GLU 192 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3epk s GLN 193 N -1.63 2.61 -0.21 3.49 -0.21 -0.92 -5.04 119.66 117.75 3epk s GLN 193 Ca 0.29 -0.03 -0.14 0.00 0.02 0.00 0.00 55.36 55.50 3epk s GLN 193 Cb 0.19 -2.19 -0.08 0.00 1.00 0.00 0.00 33.01 31.93 3epk s GLN 193 CO 0.13 -0.98 -0.32 1.63 -2.12 0.00 0.00 175.29 173.63 3epk n LYS 194 N -2.79 0.51 0.00 2.91 4.76 -1.26 -4.98 118.16 117.31 3epk n LYS 194 Ca 0.06 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 3epk n LYS 194 Cb 0.59 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 3epk n LYS 194 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3epk n ILE 195 N -4.24 0.00 -1.87 -0.18 -0.00 -1.25 -4.95 119.36 106.88 3epk n ILE 195 Ca -0.33 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.00 3epk n ILE 195 Cb 0.68 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.29 3epk n ILE 195 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 3epk s THR 196 N -2.16 2.66 0.24 1.39 2.01 -1.26 -4.63 115.64 113.89 3epk s THR 196 Ca 0.00 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 3epk s THR 196 Cb 0.00 -3.21 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 3epk s THR 196 CO 0.00 0.01 1.04 -1.48 -0.69 0.00 0.00 174.62 173.51 3epk s LEU 197 N 1.89 4.57 0.44 4.42 2.34 -1.26 -4.32 118.68 126.75 3epk s LEU 197 Ca 0.74 2.12 -0.11 0.00 0.06 0.00 0.00 54.13 56.94 3epk s LEU 197 Cb -0.44 -3.62 -0.06 0.00 -0.56 0.00 0.00 46.19 41.51 3epk s LEU 197 CO 0.32 -0.06 0.82 -1.59 -1.06 0.00 0.00 176.35 174.79 3epk s LYS 198 N -1.13 3.78 0.35 1.48 -2.85 -0.95 -4.87 119.74 115.55 3epk s LYS 198 Ca 0.44 0.54 0.00 0.00 -1.00 0.00 0.00 55.97 55.95 3epk s LYS 198 Cb -0.29 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 3epk s LYS 198 CO 0.37 -0.11 0.00 1.19 0.10 0.00 0.00 175.35 176.90 3epk n PHE 199 N -1.47 -2.89 -2.19 1.78 3.01 -1.26 -4.67 117.46 109.76 3epk n PHE 199 Ca 0.03 1.55 -0.43 0.00 1.01 0.00 0.00 57.45 59.61 3epk n PHE 199 Cb 0.54 -2.65 -0.02 0.00 -0.01 0.00 0.00 39.48 37.34 3epk n PHE 199 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3epk s ASP 200 N -3.18 6.17 0.02 4.37 -1.08 -0.91 -4.91 116.67 117.15 3epk s ASP 200 Ca 0.00 1.11 0.02 0.00 -0.52 0.00 0.00 52.55 53.16 3epk s ASP 200 Cb 0.00 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.89 3epk s ASP 200 CO 0.00 -1.52 -0.01 -0.89 0.52 0.00 0.00 175.17 173.27 3epk s THR 201 N 5.96 4.02 -0.26 1.71 2.01 -1.26 -1.29 115.64 126.52 3epk s THR 201 Ca 0.70 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 62.02 3epk s THR 201 Cb -0.18 -2.80 0.06 0.00 0.01 0.00 0.00 72.50 69.59 3epk s THR 201 CO 0.33 0.33 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.27 3epk s LEU 202 N -1.66 3.47 -0.20 4.42 2.96 -0.73 -4.97 118.68 121.97 3epk s LEU 202 Ca 0.20 -1.43 -0.20 0.00 -0.22 0.00 0.00 54.13 52.48 3epk s LEU 202 Cb -0.11 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3epk s LEU 202 CO 0.11 -0.20 0.61 -0.36 -1.32 0.00 0.00 176.35 175.19 3epk s PHE 203 N 1.11 3.37 -0.16 5.38 0.40 -1.26 -1.60 117.98 125.22 3epk s PHE 203 Ca -0.08 0.90 -0.02 0.00 -0.60 0.00 0.00 56.93 57.14 3epk s PHE 203 Cb -0.20 -2.78 -0.01 0.00 0.51 0.00 0.00 43.02 40.54 3epk s PHE 203 CO -0.05 -0.16 -0.10 -0.51 0.70 0.00 0.00 175.22 175.10 3epk s LEU 204 N 1.86 2.81 -0.29 -0.37 1.43 0.32 -1.94 118.68 122.50 3epk s LEU 204 Ca 0.28 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3epk s LEU 204 Cb -0.16 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3epk s LEU 204 CO 0.10 0.11 0.04 0.86 0.23 0.00 0.00 176.35 177.69 3epk s TRP 205 N 0.69 3.16 -0.45 0.29 -0.00 -0.39 0.11 118.94 122.34 3epk s TRP 205 Ca -0.05 -1.30 -0.18 0.00 -0.00 0.00 0.00 56.10 54.57 3epk s TRP 205 Cb -0.15 -2.19 0.04 0.00 -0.00 0.00 0.00 33.47 31.16 3epk s TRP 205 CO 0.02 -0.67 0.53 -1.17 -0.00 0.00 0.00 176.95 175.67 3epk s LEU 206 N 1.41 4.87 0.34 5.86 2.96 -0.57 -0.62 118.68 132.94 3epk s LEU 206 Ca 0.00 -0.72 0.08 0.00 -0.22 0.00 0.00 54.13 53.27 3epk s LEU 206 Cb -0.18 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 3epk s LEU 206 CO 0.00 -0.72 0.28 -0.47 -1.32 0.00 0.00 176.35 174.12 3epk s TYR 207 N 2.40 2.86 -0.28 5.38 5.04 -0.65 -4.13 117.35 127.97 3epk s TYR 207 Ca 0.15 -0.33 -0.16 0.00 -2.44 0.00 0.00 57.07 54.29 3epk s TYR 207 Cb -0.18 -1.80 0.10 0.00 0.35 0.00 0.00 41.96 40.44 3epk s TYR 207 CO 0.14 0.19 0.78 0.45 -1.34 0.00 0.00 175.55 175.76 3epk s SER 208 N -3.98 -0.82 0.22 4.32 0.15 -1.26 0.25 113.70 112.58 3epk s SER 208 Ca 0.41 1.30 -0.29 0.00 0.70 0.00 0.00 55.95 58.06 3epk s SER 208 Cb -0.05 1.40 -0.16 0.00 -1.71 0.00 0.00 66.02 65.50 3epk s SER 208 CO 0.26 -0.20 0.84 0.29 1.20 0.00 0.00 173.24 175.63 3epk n LYS 209 N 4.22 0.74 -0.14 5.44 4.76 -1.26 -4.75 118.16 127.17 3epk n LYS 209 Ca -0.19 0.26 -0.04 0.00 -2.87 0.00 0.00 58.31 55.47 3epk n LYS 209 Cb 0.58 -1.51 0.04 0.00 -1.84 0.00 0.00 35.03 32.30 3epk n LYS 209 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3epk h PRO 210 N 1.85 0.33 0.19 1.97 0.13 -2.00 -2.41 132.00 132.06 3epk h PRO 210 Ca -0.36 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.76 3epk h PRO 210 Cb 1.38 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 3epk h PRO 210 CO 0.61 0.22 -0.49 0.93 -0.23 0.00 0.00 178.00 179.04 3epk h GLU 211 N 0.34 -0.74 -0.43 0.86 4.39 -2.00 0.37 114.58 117.37 3epk h GLU 211 Ca 0.21 0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.99 3epk h GLU 211 Cb 0.20 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 3epk h GLU 211 CO -0.21 -0.49 0.22 -1.35 -1.16 0.00 0.00 179.01 176.01 3epk h PRO 212 N -0.77 0.43 -0.13 2.33 0.11 -1.92 -2.50 132.00 129.55 3epk h PRO 212 Ca -0.01 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.12 3epk h PRO 212 Cb 0.76 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.73 3epk h PRO 212 CO -0.23 0.28 -0.12 1.25 -0.21 0.00 0.00 178.00 178.97 3epk h LEU 213 N 0.44 -0.39 -0.72 2.35 5.85 -0.96 -2.19 115.31 119.69 3epk h LEU 213 Ca 0.19 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.10 3epk h LEU 213 Cb 0.09 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 3epk h LEU 213 CO -0.13 -0.17 0.31 -0.26 -0.34 0.00 0.00 178.44 177.86 3epk h PHE 214 N -0.15 0.54 -0.21 1.25 0.05 0.00 0.25 116.94 118.68 3epk h PHE 214 Ca 0.09 0.03 0.03 0.00 3.82 0.00 0.00 57.97 61.94 3epk h PHE 214 Cb 0.28 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.07 3epk h PHE 214 CO -0.25 0.13 0.03 0.37 -0.18 0.00 0.00 178.31 178.41 3epk h GLN 215 N 0.50 0.11 -0.53 1.51 5.75 -0.98 0.04 115.11 121.50 3epk h GLN 215 Ca 0.37 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.85 3epk h GLN 215 Cb 0.50 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 3epk h GLN 215 CO -0.34 0.07 0.26 0.00 -2.65 0.00 0.00 178.83 176.17 3epk h ARG 216 N 0.11 0.77 -0.76 1.69 3.08 -0.74 -2.01 114.38 116.52 3epk h ARG 216 Ca 0.09 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.09 3epk h ARG 216 Cb 0.10 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 3epk h ARG 216 CO -0.13 0.64 0.50 -0.07 -1.07 0.00 0.00 179.97 179.83 3epk h LEU 217 N 0.72 0.73 -0.13 3.04 3.38 -0.06 0.62 115.31 123.61 3epk h LEU 217 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3epk h LEU 217 Cb 0.12 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3epk h LEU 217 CO -0.02 0.48 -0.12 0.44 0.09 0.00 0.00 178.44 179.30 3epk h ASP 218 N 0.84 0.33 -0.44 -0.43 3.32 -0.54 -2.07 116.42 117.42 3epk h ASP 218 Ca 0.32 -0.48 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 3epk h ASP 218 Cb 0.21 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3epk h ASP 218 CO -0.11 0.74 -0.12 0.44 -1.72 0.00 0.00 179.24 178.47 3epk h ASP 219 N -0.08 0.90 0.15 6.45 3.32 -0.87 -1.94 116.42 124.35 3epk h ASP 219 Ca 0.02 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 3epk h ASP 219 Cb 0.65 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3epk h ASP 219 CO 0.03 1.03 -0.14 0.08 -1.72 0.00 0.00 179.24 178.53 3epk h ARG 220 N 0.81 0.00 -0.13 3.56 -0.00 0.27 0.27 114.38 119.16 3epk h ARG 220 Ca 0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.94 3epk h ARG 220 Cb 0.65 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.62 3epk h ARG 220 CO 0.05 0.14 -0.64 0.28 -0.00 0.00 0.00 179.97 179.79 3epk h VAL 221 N 0.00 1.35 0.26 0.08 2.07 -0.79 -2.70 116.25 116.52 3epk h VAL 221 Ca -0.00 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 3epk h VAL 221 Cb 0.25 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3epk h VAL 221 CO 0.02 0.60 -0.13 0.44 0.02 0.00 0.00 177.57 178.52 3epk h ASP 222 N 0.35 -0.30 0.00 0.57 3.32 -0.28 -2.79 116.42 117.29 3epk h ASP 222 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3epk h ASP 222 Cb 1.20 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3epk h ASP 222 CO 0.11 -0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 176.57 3epk n ASP 223 N -3.21 0.00 -0.00 6.45 5.68 -0.23 -0.65 116.55 124.59 3epk n ASP 223 Ca -0.04 -0.32 -0.07 0.00 -0.50 0.00 0.00 54.79 53.86 3epk n ASP 223 Cb 0.14 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.99 3epk n ASP 223 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 3epk h MET 224 N 0.00 0.00 0.00 0.11 4.05 -1.19 -3.17 114.93 114.73 3epk h MET 224 Ca 0.00 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.20 3epk h MET 224 Cb 0.00 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 3epk h MET 224 CO 0.00 0.52 -1.15 -0.07 0.23 0.00 0.00 176.91 176.45 3epk h LEU 225 N 0.00 0.00 -1.41 3.39 3.38 -0.84 -3.12 115.31 116.72 3epk h LEU 225 Ca -0.23 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 3epk h LEU 225 Cb 1.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 3epk h LEU 225 CO 0.08 0.95 -0.29 -0.33 0.09 0.00 0.00 178.44 178.95 3epk h GLU 226 N 0.00 0.00 -0.29 1.13 5.08 -1.61 -1.93 114.58 116.95 3epk h GLU 226 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3epk h GLU 226 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 3epk h GLU 226 CO 0.11 0.29 0.00 0.54 -1.00 0.00 0.00 179.01 178.95 3epk n ARG 227 N -3.91 1.61 -0.86 2.33 1.74 -1.20 -4.87 116.66 111.50 3epk n ARG 227 Ca -0.02 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.18 3epk n ARG 227 Cb 0.36 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 3epk n ARG 227 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3epk n GLY 228 N 0.84 0.53 0.16 -0.13 0.00 -0.74 -5.01 105.19 100.84 3epk n GLY 228 Ca 0.08 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 3epk n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3epk h ALA 229 N 0.00 -0.00 -0.76 4.61 0.00 -1.47 -3.25 119.26 118.38 3epk h ALA 229 Ca 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 54.91 54.25 3epk h ALA 229 Cb 0.45 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3epk h ALA 229 CO 0.00 0.60 0.50 -0.07 0.00 0.00 0.00 179.25 180.28 3epk h LEU 230 N 0.16 0.69 -1.13 0.00 3.38 -1.88 0.13 115.31 116.66 3epk h LEU 230 Ca -0.17 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3epk h LEU 230 Cb 1.79 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 42.35 3epk h LEU 230 CO 0.21 0.44 0.59 1.56 0.09 0.00 0.00 178.44 181.33 3epk h GLN 231 N 0.78 1.04 0.03 1.13 7.50 -1.94 0.23 115.11 123.89 3epk h GLN 231 Ca 0.33 -0.06 -0.26 0.00 0.50 0.00 0.00 58.65 59.16 3epk h GLN 231 Cb 0.29 -0.23 0.01 0.00 0.05 0.00 0.00 27.48 27.60 3epk h GLN 231 CO -0.12 0.69 -1.06 0.93 -1.50 0.00 0.00 178.83 177.77 3epk h GLU 232 N 1.07 0.55 -0.34 1.46 5.08 -1.19 -2.18 114.58 119.04 3epk h GLU 232 Ca 0.38 -0.63 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3epk h GLU 232 Cb 0.13 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3epk h GLU 232 CO -0.13 1.25 0.20 0.82 -1.00 0.00 0.00 179.01 180.14 3epk h ILE 233 N 0.29 1.12 -0.56 3.13 2.04 0.19 0.16 117.51 123.88 3epk h ILE 233 Ca -0.12 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 3epk h ILE 233 Cb 1.71 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3epk h ILE 233 CO 0.20 0.12 0.04 0.11 0.00 0.00 0.00 178.15 178.62 3epk h LYS 234 N 0.43 0.96 -0.17 2.37 1.57 -0.64 0.12 116.57 121.22 3epk h LYS 234 Ca 0.12 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3epk h LYS 234 Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3epk h LYS 234 CO -0.02 0.95 0.09 0.37 -0.57 0.00 0.00 179.45 180.27 3epk h GLN 235 N 0.85 0.18 -0.76 3.15 4.15 -1.11 0.58 115.11 122.15 3epk h GLN 235 Ca 0.16 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.63 3epk h GLN 235 Cb 0.49 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.09 3epk h GLN 235 CO 0.02 0.12 0.50 -0.07 -1.93 0.00 0.00 178.83 177.47 3epk h LEU 236 N 0.19 0.74 -0.74 -2.39 3.38 -0.32 -0.64 115.31 115.52 3epk h LEU 236 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 3epk h LEU 236 Cb 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3epk h LEU 236 CO -0.04 0.48 -0.63 0.22 0.09 0.00 0.00 178.44 178.57 3epk h TYR 237 N 0.84 0.02 0.69 1.13 3.20 0.59 0.87 116.97 124.31 3epk h TYR 237 Ca 0.32 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 3epk h TYR 237 Cb 0.20 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.48 3epk h TYR 237 CO -0.00 0.64 -0.33 1.49 -1.64 0.00 0.00 178.16 178.31 3epk h GLU 238 N 0.01 -0.89 -0.79 1.82 4.57 0.16 0.72 114.58 120.18 3epk h GLU 238 Ca -0.01 0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3epk h GLU 238 Cb 1.11 0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 29.87 3epk h GLU 238 CO 0.08 -0.57 0.52 -0.92 -1.18 0.00 0.00 179.01 176.94 3epk h TYR 239 N -1.03 0.99 -0.43 0.92 -0.00 -1.35 -1.65 116.97 114.42 3epk h TYR 239 Ca -0.09 0.02 0.06 0.00 -0.00 0.00 0.00 58.73 58.72 3epk h TYR 239 Cb 0.74 -0.33 -0.05 0.00 -0.00 0.00 0.00 36.73 37.08 3epk h TYR 239 CO -0.01 0.62 0.14 -0.92 -0.00 0.00 0.00 178.16 177.99 3epk h TYR 240 N 1.06 0.24 -3.54 -3.82 3.20 -0.62 -3.39 116.97 110.11 3epk h TYR 240 Ca 0.29 0.02 -0.39 0.00 3.14 0.00 0.00 58.73 61.79 3epk h TYR 240 Cb -0.12 -0.05 0.18 0.00 1.54 0.00 0.00 36.73 38.28 3epk h TYR 240 CO -0.02 0.08 0.27 0.43 -1.64 0.00 0.00 178.16 177.29 3epk n SER 241 N -5.03 -0.84 -3.29 -2.11 7.64 0.25 -3.56 113.62 106.69 3epk n SER 241 Ca 0.03 -1.32 -0.19 0.00 1.01 0.00 0.00 58.87 58.41 3epk n SER 241 Cb 0.17 -0.96 -0.02 0.00 -1.01 0.00 0.00 64.21 62.38 3epk n SER 241 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3epk n GLN 242 N -4.11 -2.38 0.00 1.43 10.64 -1.26 -4.47 117.38 117.24 3epk n GLN 242 Ca 0.15 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.51 3epk n GLN 242 Cb 0.55 -4.76 0.00 0.00 -0.86 0.00 0.00 30.24 25.17 3epk n GLN 242 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3epk n ASN 243 N -1.98 0.00 -3.98 2.61 2.85 -1.25 -5.03 115.26 108.48 3epk n ASN 243 Ca 0.02 -1.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.09 3epk n ASN 243 Cb 0.50 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.54 3epk n ASN 243 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3epk n LYS 244 N 0.00 -0.72 -3.81 1.20 5.02 -1.26 -4.95 118.16 113.65 3epk n LYS 244 Ca 0.00 0.19 -0.36 0.00 -2.02 0.00 0.00 58.31 56.12 3epk n LYS 244 Cb 0.37 -3.14 -0.07 0.00 -0.02 0.00 0.00 35.03 32.17 3epk n LYS 244 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3epk s PHE 245 N -3.60 3.52 0.14 2.13 2.99 -1.23 -5.10 117.98 116.83 3epk s PHE 245 Ca 0.43 0.46 0.02 0.00 0.00 0.00 0.00 56.93 57.84 3epk s PHE 245 Cb -0.21 -2.04 -0.04 0.00 0.00 0.00 0.00 43.02 40.73 3epk s PHE 245 CO 0.94 0.55 0.27 0.95 -0.00 0.00 0.00 175.22 177.93 3epk s THR 246 N -0.44 5.30 0.65 0.64 -4.23 -1.26 -4.95 115.64 111.36 3epk s THR 246 Ca 0.12 -0.66 0.29 0.00 -1.18 0.00 0.00 61.69 60.26 3epk s THR 246 Cb -0.12 -3.71 0.31 0.00 1.34 0.00 0.00 72.50 70.32 3epk s THR 246 CO 0.02 -0.06 1.91 1.55 -0.54 0.00 0.00 174.62 177.49 3epk h PRO 247 N 2.27 0.00 0.00 3.99 0.13 -1.99 0.37 132.00 136.77 3epk h PRO 247 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3epk h PRO 247 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3epk h PRO 247 CO 0.69 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.61 3epk n GLU 248 N -3.06 0.98 0.06 0.86 0.28 -1.26 -2.25 120.64 116.24 3epk n GLU 248 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 3epk n GLU 248 Cb 0.44 -1.24 0.11 0.00 1.43 0.00 0.00 31.44 32.19 3epk n GLU 248 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 3epk h GLN 249 N 0.00 0.00 -2.01 3.44 5.75 -0.64 -3.38 115.11 118.27 3epk h GLN 249 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3epk h GLN 249 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 3epk h GLN 249 CO 0.00 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.18 3epk n GLU 251 N 1.75 0.81 -4.34 0.00 1.02 -1.26 -4.31 120.64 114.32 3epk n GLU 251 Ca 0.01 -0.74 -0.19 0.00 -0.02 0.00 0.00 57.16 56.22 3epk n GLU 251 Cb 0.28 -0.67 -0.14 0.00 -0.02 0.00 0.00 31.44 30.89 3epk n GLU 251 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3epk s ASN 252 N -0.29 1.32 0.09 1.62 -0.87 -0.86 -4.93 114.94 111.02 3epk s ASN 252 Ca 0.00 -0.34 0.00 0.00 -1.57 0.00 0.00 52.86 50.95 3epk s ASN 252 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.13 3epk s ASN 252 CO 0.00 0.04 0.00 0.61 -2.57 0.00 0.00 177.10 175.18 3epk n GLY 253 N 2.29 1.03 0.47 0.66 0.00 -1.26 -1.90 105.19 106.47 3epk n GLY 253 Ca -0.16 -0.50 0.29 0.00 0.00 0.00 0.00 46.02 45.64 3epk n GLY 253 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3epk h VAL 254 N 0.00 0.47 0.00 1.61 2.07 -1.87 -0.18 116.25 118.35 3epk h VAL 254 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3epk h VAL 254 Cb 0.00 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3epk h VAL 254 CO 0.00 0.00 0.00 0.79 0.02 0.00 0.00 177.57 178.38 3epk n TRP 255 N -4.12 0.00 -0.06 1.57 7.02 -0.80 -0.93 117.44 120.13 3epk n TRP 255 Ca 0.18 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.57 3epk n TRP 255 Cb 0.99 -0.04 -0.15 0.00 -2.42 0.00 0.00 31.31 29.68 3epk n TRP 255 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3epk n GLN 256 N -1.04 0.66 -1.01 -0.99 6.02 -0.08 -4.26 117.38 116.68 3epk n GLN 256 Ca 0.01 0.17 -0.32 0.00 -0.01 0.00 0.00 57.00 56.85 3epk n GLN 256 Cb 0.01 -1.68 0.01 0.00 1.02 0.00 0.00 30.24 29.60 3epk n GLN 256 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 3epk n VAL 257 N -2.92 0.09 -3.03 5.09 3.14 -0.11 -4.85 118.33 115.73 3epk n VAL 257 Ca -0.24 -0.40 -0.44 0.00 -2.96 0.00 0.00 64.34 60.30 3epk n VAL 257 Cb 1.10 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.84 3epk n VAL 257 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3epk s ILE 258 N -1.56 4.79 0.00 1.55 1.01 -1.26 -3.93 121.20 121.80 3epk s ILE 258 Ca 0.46 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3epk s ILE 258 Cb -0.42 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.44 3epk s ILE 258 CO 0.52 -1.29 0.00 0.61 0.00 0.00 0.00 174.94 174.78 3epk n GLY 259 N 5.20 0.00 0.55 6.18 0.00 -1.26 -4.90 105.19 110.97 3epk n GLY 259 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3epk n GLY 259 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3epk n PHE 260 N 0.00 0.00 -0.15 1.61 7.35 -1.25 -4.71 117.46 120.31 3epk n PHE 260 Ca 0.00 0.00 0.28 0.00 -0.76 0.00 0.00 57.45 56.97 3epk n PHE 260 Cb 0.00 0.00 0.67 0.00 0.35 0.00 0.00 39.48 40.50 3epk n PHE 260 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 3epk h LYS 261 N 0.00 0.00 -0.05 -4.13 2.10 -1.84 0.15 116.57 112.80 3epk h LYS 261 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 3epk h LYS 261 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3epk h LYS 261 CO 0.00 0.00 -0.30 0.93 -2.00 0.00 0.00 179.45 178.08 3epk h GLU 262 N 0.00 0.09 -0.02 0.07 3.07 -1.88 -2.78 114.58 113.13 3epk h GLU 262 Ca 0.42 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3epk h GLU 262 Cb 2.05 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.96 3epk h GLU 262 CO -0.00 0.39 -0.19 1.19 -1.40 0.00 0.00 179.01 179.00 3epk n PHE 263 N -4.15 0.00 -0.30 4.33 3.01 0.52 -4.50 117.46 116.37 3epk n PHE 263 Ca -0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.56 3epk n PHE 263 Cb 0.37 -0.01 0.28 0.00 -0.01 0.00 0.00 39.48 40.10 3epk n PHE 263 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3epk h LEU 264 N 3.41 0.29 -1.85 4.37 5.85 -1.29 0.35 115.31 126.44 3epk h LEU 264 Ca 0.00 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3epk h LEU 264 Cb 0.83 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 3epk h LEU 264 CO 0.00 0.01 -0.13 1.55 -0.34 0.00 0.00 178.44 179.52 3epk h PRO 265 N 0.39 0.00 -0.04 5.25 0.13 -1.79 -0.52 132.00 135.41 3epk h PRO 265 Ca 0.53 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.41 3epk h PRO 265 Cb 0.96 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.11 3epk h PRO 265 CO -0.51 0.13 -0.95 2.35 -0.23 0.00 0.00 178.00 178.80 3epk h TRP 266 N 0.00 1.04 0.00 1.56 7.01 -0.65 -2.64 115.95 122.27 3epk h TRP 266 Ca -0.00 -0.53 0.00 0.00 2.11 0.00 0.00 58.89 60.47 3epk h TRP 266 Cb 0.35 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 3epk h TRP 266 CO 0.00 1.37 0.00 1.28 -2.79 0.00 0.00 178.44 178.30 3epk n LEU 267 N -3.90 0.00 -2.56 0.65 4.77 -0.57 -5.03 117.00 110.37 3epk n LEU 267 Ca -0.10 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.70 3epk n LEU 267 Cb 0.83 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3epk n LEU 267 CO 0.55 0.00 -0.18 0.41 -1.33 0.00 0.00 177.39 176.84 3epk n THR 268 N -0.72 -0.93 0.00 -5.08 -1.04 -0.27 -5.05 114.28 101.19 3epk n THR 268 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3epk n THR 268 Cb 0.05 -2.43 0.00 0.00 -1.82 0.00 0.00 70.33 66.13 3epk n THR 268 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3epk n VAL 276 N -3.80 0.00 -0.11 12.58 0.31 -1.26 -4.56 118.33 121.49 3epk n VAL 276 Ca -0.17 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.01 3epk n VAL 276 Cb 0.64 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.44 3epk n VAL 276 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3epk n LYS 277 N 0.00 0.70 -0.19 5.55 4.81 -1.26 -4.34 118.16 123.43 3epk n LYS 277 Ca 0.00 0.09 0.19 0.00 -0.87 0.00 0.00 58.31 57.72 3epk n LYS 277 Cb 0.00 -1.50 0.54 0.00 0.02 0.00 0.00 35.03 34.09 3epk n LYS 277 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3epk h LEU 278 N 0.00 0.34 -0.50 3.14 5.85 -1.99 -0.31 115.31 121.84 3epk h LEU 278 Ca -0.54 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3epk h LEU 278 Cb 1.97 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.94 3epk h LEU 278 CO -0.05 0.15 0.33 -0.33 -0.34 0.00 0.00 178.44 178.21 3epk h GLU 279 N 0.35 0.66 -0.50 1.25 5.08 -2.00 -1.77 114.58 117.64 3epk h GLU 279 Ca 0.42 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 3epk h GLU 279 Cb 1.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3epk h GLU 279 CO -0.13 0.44 0.20 -0.44 -1.00 0.00 0.00 179.01 178.08 3epk h ASP 280 N 0.68 0.66 0.78 1.42 5.19 -1.28 -0.41 116.42 123.47 3epk h ASP 280 Ca 0.18 -0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 3epk h ASP 280 Cb -0.07 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.26 3epk h ASP 280 CO -0.04 0.60 -0.09 0.00 -3.12 0.00 0.00 179.24 176.59 3epk h ILE 282 N 0.00 1.52 -0.16 0.00 2.04 -0.29 -2.77 117.51 117.85 3epk h ILE 282 Ca -0.00 -2.50 -0.05 0.00 1.00 0.00 0.00 64.86 63.31 3epk h ILE 282 Cb 0.50 3.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.77 3epk h ILE 282 CO 0.01 0.70 -0.11 -0.33 0.00 0.00 0.00 178.15 178.43 3epk h GLU 283 N -0.45 0.25 -0.37 2.37 4.39 -0.85 0.84 114.58 120.75 3epk h GLU 283 Ca -0.14 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.42 3epk h GLU 283 Cb 1.57 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.16 3epk h GLU 283 CO 0.12 0.37 -0.16 -0.09 -1.16 0.00 0.00 179.01 178.09 3epk h ARG 284 N 0.24 0.67 -0.25 2.33 9.65 -0.84 -2.02 114.38 124.16 3epk h ARG 284 Ca 0.05 -0.23 -0.13 0.00 -1.10 0.00 0.00 59.98 58.57 3epk h ARG 284 Cb 0.34 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3epk h ARG 284 CO 0.02 0.80 -0.36 1.98 2.80 0.00 0.00 179.97 185.21 3epk h MET 285 N 0.61 0.68 -0.05 0.20 4.05 -0.87 -1.77 114.93 117.78 3epk h MET 285 Ca 0.10 -0.40 0.01 0.00 -0.28 0.00 0.00 59.70 59.13 3epk h MET 285 Cb 0.61 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.44 3epk h MET 285 CO 0.04 1.02 0.05 0.87 0.23 0.00 0.00 176.91 179.11 3epk h LYS 286 N 0.40 0.00 0.08 0.39 1.57 -0.60 -1.88 116.57 116.53 3epk h LYS 286 Ca 0.03 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3epk h LYS 286 Cb 0.94 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.27 3epk h LYS 286 CO 0.08 0.00 -0.50 1.15 -0.57 0.00 0.00 179.45 179.62 3epk h THR 287 N 0.00 1.62 -0.71 -0.16 2.02 -1.03 -2.77 112.91 111.88 3epk h THR 287 Ca 0.02 -2.46 0.08 0.00 0.77 0.00 0.00 66.41 64.82 3epk h THR 287 Cb 0.11 3.27 -0.07 0.00 -1.74 0.00 0.00 68.15 69.73 3epk h THR 287 CO -0.00 0.67 0.37 0.03 0.37 0.00 0.00 175.52 176.97 3epk h ARG 288 N -0.63 0.63 0.04 6.66 2.47 -0.76 0.48 114.38 123.28 3epk h ARG 288 Ca -0.09 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.59 3epk h ARG 288 Cb 1.39 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 3epk h ARG 288 CO 0.09 0.42 -0.02 1.15 0.56 0.00 0.00 179.97 182.17 3epk h THR 289 N 0.65 1.01 -0.30 2.04 2.02 -1.46 0.92 112.91 117.79 3epk h THR 289 Ca 0.34 -0.15 0.05 0.00 0.77 0.00 0.00 66.41 67.42 3epk h THR 289 Cb 0.32 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3epk h THR 289 CO -0.24 0.04 0.04 -0.09 0.37 0.00 0.00 175.52 175.63 3epk h ARG 290 N -0.12 0.13 -0.28 6.66 2.43 -1.13 -0.27 114.38 121.81 3epk h ARG 290 Ca -0.01 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3epk h ARG 290 Cb 0.10 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3epk h ARG 290 CO 0.01 0.09 0.17 1.96 -1.51 0.00 0.00 179.97 180.69 3epk h GLN 291 N 0.14 0.34 -0.59 0.20 4.20 -0.75 -2.14 115.11 116.50 3epk h GLN 291 Ca 0.14 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.93 3epk h GLN 291 Cb 0.17 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.80 3epk h GLN 291 CO -0.21 0.22 0.19 -0.92 -0.67 0.00 0.00 178.83 177.45 3epk h TYR 292 N 0.35 0.33 -0.45 2.96 3.20 -0.17 0.30 116.97 123.48 3epk h TYR 292 Ca 0.10 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.04 3epk h TYR 292 Cb -0.02 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 3epk h TYR 292 CO -0.07 0.06 0.23 0.00 -1.64 0.00 0.00 178.16 176.75 3epk h ALA 293 N 1.42 0.57 -0.59 1.82 0.00 -0.71 0.58 119.26 122.35 3epk h ALA 293 Ca 0.30 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3epk h ALA 293 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3epk h ALA 293 CO -0.32 -0.11 0.26 0.87 0.00 0.00 0.00 179.25 179.95 3epk h LYS 294 N 0.47 0.87 -0.37 0.00 1.57 -0.56 -2.26 116.57 116.28 3epk h LYS 294 Ca 0.19 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3epk h LYS 294 Cb 0.09 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3epk h LYS 294 CO -0.13 0.72 -0.02 0.00 -0.57 0.00 0.00 179.45 179.45 3epk h ARG 295 N 0.81 0.60 -0.21 3.15 3.08 -0.59 -2.64 114.38 118.58 3epk h ARG 295 Ca 0.20 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3epk h ARG 295 Cb 0.16 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3epk h ARG 295 CO -0.02 0.63 0.13 1.96 -1.07 0.00 0.00 179.97 181.61 3epk h GLN 296 N 0.57 0.28 -0.94 0.04 4.20 -0.30 -1.07 115.11 117.89 3epk h GLN 296 Ca 0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3epk h GLN 296 Cb 0.39 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 3epk h GLN 296 CO 0.02 0.21 0.56 0.28 -0.67 0.00 0.00 178.83 179.22 3epk h VAL 297 N 0.27 1.26 -0.42 -0.54 2.07 -1.36 -1.53 116.25 115.99 3epk h VAL 297 Ca 0.08 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.08 3epk h VAL 297 Cb -0.01 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.66 3epk h VAL 297 CO -0.02 0.27 0.16 0.11 0.02 0.00 0.00 177.57 178.12 3epk h LYS 298 N 1.29 0.32 -0.56 1.57 1.57 -1.05 -0.58 116.57 119.13 3epk h LYS 298 Ca 0.33 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 3epk h LYS 298 Cb -0.05 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3epk h LYS 298 CO -0.06 0.21 0.25 2.35 -0.57 0.00 0.00 179.45 181.63 3epk h TRP 299 N 0.33 0.82 -0.16 -1.35 2.91 -0.57 0.13 115.95 118.06 3epk h TRP 299 Ca 0.19 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 60.12 3epk h TRP 299 Cb 0.17 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.56 3epk h TRP 299 CO -0.14 0.65 -0.10 0.82 -1.03 0.00 0.00 178.44 178.63 3epk h ILE 300 N 0.75 1.17 0.00 2.65 2.04 -0.82 0.76 117.51 124.06 3epk h ILE 300 Ca 0.19 -0.72 -0.20 0.00 1.00 0.00 0.00 64.86 65.13 3epk h ILE 300 Cb 0.15 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 3epk h ILE 300 CO -0.02 0.23 -1.54 0.29 0.00 0.00 0.00 178.15 177.11 3epk n LYS 301 N -4.30 0.63 -0.03 2.37 5.02 -0.27 -1.60 118.16 119.98 3epk n LYS 301 Ca -0.01 0.22 0.02 0.00 -2.02 0.00 0.00 58.31 56.53 3epk n LYS 301 Cb 0.25 -1.79 -0.11 0.00 -0.02 0.00 0.00 35.03 33.37 3epk n LYS 301 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3epk n LYS 302 N -2.90 0.95 -0.00 1.97 5.02 0.41 -4.15 118.16 119.47 3epk n LYS 302 Ca -0.12 -0.08 -0.00 0.00 -2.02 0.00 0.00 58.31 56.08 3epk n LYS 302 Cb 0.90 -1.33 -0.00 0.00 -0.02 0.00 0.00 35.03 34.57 3epk n LYS 302 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3epk n MET 303 N -2.16 0.01 0.00 1.97 2.81 0.25 -4.66 117.12 115.34 3epk n MET 303 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 3epk n MET 303 Cb 0.57 -0.33 0.00 0.00 -0.71 0.00 0.00 33.22 32.74 3epk n MET 303 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3epk n LEU 304 N -2.54 0.00 -0.29 4.03 7.94 -0.45 -1.66 117.00 124.03 3epk n LEU 304 Ca -0.00 0.80 -0.07 0.00 -1.11 0.00 0.00 56.01 55.63 3epk n LEU 304 Cb 0.01 -0.30 -0.02 0.00 0.53 0.00 0.00 43.42 43.63 3epk n LEU 304 CO 0.00 -0.30 0.56 0.40 -1.11 0.00 0.00 177.39 176.95 3epk h ILE 305 N 0.00 0.05 -0.83 1.96 2.04 -1.56 -0.66 117.51 118.52 3epk h ILE 305 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 3epk h ILE 305 Cb 0.00 0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 36.05 3epk h ILE 305 CO 0.00 0.00 0.45 -0.65 0.00 0.00 0.00 178.15 177.95 3epk h PRO 306 N -0.12 0.69 -0.63 2.37 0.11 -1.80 0.17 132.00 132.79 3epk h PRO 306 Ca 0.22 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 3epk h PRO 306 Cb 0.55 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 3epk h PRO 306 CO -0.81 0.45 0.32 -0.44 -0.21 0.00 0.00 178.00 177.31 3epk h ASP 307 N 0.71 0.81 -0.42 -2.05 3.45 -0.22 -2.52 116.42 116.17 3epk h ASP 307 Ca 0.43 -0.12 -0.18 0.00 0.43 0.00 0.00 57.03 57.59 3epk h ASP 307 Cb 0.50 -0.21 -0.11 0.00 -0.56 0.00 0.00 39.33 38.96 3epk h ASP 307 CO -0.30 0.70 0.23 2.30 -1.57 0.00 0.00 179.24 180.60 3epk n ILE 308 N -4.52 1.85 -0.85 0.35 -5.35 -0.59 -4.84 119.36 105.42 3epk n ILE 308 Ca 0.04 -0.85 -0.03 0.00 -0.27 0.00 0.00 62.75 61.65 3epk n ILE 308 Cb 0.11 -0.66 -0.01 0.00 -1.74 0.00 0.00 39.64 37.34 3epk n ILE 308 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3epk n LYS 309 N -0.13 -1.85 -1.43 6.28 4.01 -0.95 -1.67 118.16 122.43 3epk n LYS 309 Ca 0.24 0.46 0.00 0.00 -0.51 0.00 0.00 58.31 58.50 3epk n LYS 309 Cb 0.96 -4.43 0.00 0.00 -0.51 0.00 0.00 35.03 31.06 3epk n LYS 309 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3epk n GLY 310 N 0.48 0.69 3.25 0.72 0.00 0.53 -4.97 105.19 105.89 3epk n GLY 310 Ca -0.03 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 3epk n GLY 310 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3epk n ASP 311 N 1.56 5.49 -3.91 1.61 2.03 -0.67 -4.96 116.55 117.70 3epk n ASP 311 Ca 0.00 -3.09 -0.10 0.00 0.52 0.00 0.00 54.79 52.12 3epk n ASP 311 Cb 0.32 -1.45 -0.10 0.00 -0.72 0.00 0.00 41.12 39.18 3epk n ASP 311 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3epk s ILE 312 N -0.24 0.11 -0.10 5.18 2.07 -1.26 -4.30 121.20 122.66 3epk s ILE 312 Ca 0.37 -0.93 0.03 0.00 -1.41 0.00 0.00 60.65 58.70 3epk s ILE 312 Cb -0.02 -0.66 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 3epk s ILE 312 CO -0.01 -0.51 -0.19 -0.31 -1.91 0.00 0.00 174.94 172.02 3epk s TYR 313 N -2.04 2.66 0.33 3.50 1.51 -0.82 -4.87 117.35 117.61 3epk s TYR 313 Ca -0.10 -0.72 -0.08 0.00 -1.01 0.00 0.00 57.07 55.17 3epk s TYR 313 Cb -0.04 -1.74 -0.06 0.00 -0.11 0.00 0.00 41.96 40.01 3epk s TYR 313 CO -0.02 -0.23 0.65 -0.51 -1.11 0.00 0.00 175.55 174.33 3epk s LEU 314 N 0.13 3.97 -0.21 -1.29 1.43 -0.52 -1.27 118.68 120.92 3epk s LEU 314 Ca -0.09 0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 53.88 3epk s LEU 314 Cb -0.16 -3.75 0.07 0.00 0.03 0.00 0.00 46.19 42.38 3epk s LEU 314 CO 0.06 -0.27 0.07 -0.76 0.23 0.00 0.00 176.35 175.67 3epk s LEU 315 N -3.62 0.97 -0.28 1.79 1.43 0.21 -4.64 118.68 114.55 3epk s LEU 315 Ca 0.47 -0.91 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 3epk s LEU 315 Cb -0.11 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 3epk s LEU 315 CO 0.30 -0.35 1.74 -0.62 0.23 0.00 0.00 176.35 177.65 3epk s ASP 316 N 1.94 6.08 -0.26 2.29 -1.08 -1.26 -1.63 116.67 122.75 3epk s ASP 316 Ca 0.02 1.44 0.09 0.00 -0.52 0.00 0.00 52.55 53.59 3epk s ASP 316 Cb -0.17 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.22 3epk s ASP 316 CO -0.14 -1.54 1.19 0.00 0.52 0.00 0.00 175.17 175.21 3epk n ALA 317 N 9.57 4.48 0.13 3.66 0.00 0.14 -4.47 120.51 134.02 3epk n ALA 317 Ca 0.21 -3.58 -0.24 0.00 0.00 0.00 0.00 53.44 49.83 3epk n ALA 317 Cb 0.46 -0.36 -0.16 0.00 0.00 0.00 0.00 19.45 19.39 3epk n ALA 317 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3epk h THR 318 N 2.08 1.23 -3.55 0.00 2.02 -1.89 -3.40 112.91 109.39 3epk h THR 318 Ca 0.23 -2.69 -0.77 0.00 0.77 0.00 0.00 66.41 63.95 3epk h THR 318 Cb 1.38 2.99 -0.30 0.00 -1.74 0.00 0.00 68.15 70.49 3epk h THR 318 CO 0.50 0.82 0.26 -0.62 0.37 0.00 0.00 175.52 176.85 3epk s ASP 319 N -7.52 6.89 0.49 4.18 2.15 -1.26 -4.90 116.67 116.70 3epk s ASP 319 Ca -0.10 -3.48 0.32 0.00 0.43 0.00 0.00 52.55 49.72 3epk s ASP 319 Cb 0.04 -2.13 1.43 0.00 -0.30 0.00 0.00 42.92 41.96 3epk s ASP 319 CO 0.93 -0.31 1.76 -0.07 -0.17 0.00 0.00 175.17 177.32 3epk h LEU 320 N 6.69 0.15 -1.93 -1.34 3.38 -1.96 0.65 115.31 120.95 3epk h LEU 320 Ca 0.16 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.24 3epk h LEU 320 Cb 0.89 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3epk h LEU 320 CO 0.93 0.01 0.43 0.77 0.09 0.00 0.00 178.44 180.67 3epk h SER 321 N 0.12 0.00 0.00 -0.43 4.64 -1.98 -3.24 113.55 112.66 3epk h SER 321 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 3epk h SER 321 Cb 2.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.27 3epk h SER 321 CO -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 3epk n GLN 322 N -3.40 0.00 0.00 4.77 1.13 0.22 -4.86 117.38 115.24 3epk n GLN 322 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3epk n GLN 322 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.91 3epk n GLN 322 CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 3epk n TRP 323 N 0.00 0.00 -0.28 1.08 -0.00 -1.20 -4.13 117.44 112.91 3epk n TRP 323 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.53 3epk n TRP 323 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 31.31 31.48 3epk n TRP 323 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 3epk h ASP 324 N 0.00 0.60 0.00 5.87 3.58 -1.89 0.75 116.42 125.33 3epk h ASP 324 Ca 0.00 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 3epk h ASP 324 Cb 0.00 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 3epk h ASP 324 CO 0.00 0.33 -0.06 0.74 -2.88 0.00 0.00 179.24 177.37 3epk h THR 325 N 0.72 1.11 0.00 2.25 2.02 -1.97 -0.33 112.91 116.72 3epk h THR 325 Ca 0.40 -1.85 -0.10 0.00 0.77 0.00 0.00 66.41 65.63 3epk h THR 325 Cb 0.41 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3epk h THR 325 CO -0.27 0.38 -0.47 0.78 0.37 0.00 0.00 175.52 176.31 3epk h ASN 326 N -1.00 0.00 0.00 4.18 2.35 -1.85 -3.24 115.58 116.02 3epk h ASN 326 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3epk h ASN 326 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3epk h ASN 326 CO -0.01 0.47 0.00 0.00 -1.65 0.00 0.00 177.43 176.24 3epk n ALA 327 N -2.32 0.89 -0.06 -0.83 0.00 0.25 -4.21 120.51 114.24 3epk n ALA 327 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3epk n ALA 327 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 3epk n ALA 327 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3epk n SER 328 N -1.49 -0.15 0.17 0.00 7.64 -0.48 0.17 113.62 119.49 3epk n SER 328 Ca 0.00 1.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.73 3epk n SER 328 Cb 0.00 -0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 62.72 3epk n SER 328 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3epk h GLN 329 N 0.00 -0.61 -0.66 1.43 4.20 -1.20 -0.10 115.11 118.17 3epk h GLN 329 Ca 0.02 0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.88 3epk h GLN 329 Cb 0.06 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 27.89 3epk h GLN 329 CO -0.13 -0.40 0.24 -0.09 -0.67 0.00 0.00 178.83 177.77 3epk h ARG 330 N -0.63 0.39 0.41 1.46 2.43 -1.49 0.49 114.38 117.44 3epk h ARG 330 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3epk h ARG 330 Cb 0.60 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3epk h ARG 330 CO -0.11 0.26 -0.20 0.00 -1.51 0.00 0.00 179.97 178.41 3epk h ALA 331 N 1.47 -0.55 -0.95 2.80 0.00 0.07 -0.84 119.26 121.25 3epk h ALA 331 Ca 0.34 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.24 3epk h ALA 331 Cb 0.47 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3epk h ALA 331 CO -0.35 -0.78 0.58 0.82 0.00 0.00 0.00 179.25 179.52 3epk h ILE 332 N -0.61 0.88 0.38 0.00 2.04 -0.30 0.63 117.51 120.54 3epk h ILE 332 Ca -0.06 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3epk h ILE 332 Cb 0.46 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3epk h ILE 332 CO 0.09 0.17 -0.33 0.00 0.00 0.00 0.00 178.15 178.07 3epk h ALA 333 N 1.53 -0.74 0.10 1.87 0.00 0.33 0.53 119.26 122.89 3epk h ALA 333 Ca 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3epk h ALA 333 Cb 0.51 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3epk h ALA 333 CO -0.28 -0.95 -0.05 0.82 0.00 0.00 0.00 179.25 178.79 3epk h ILE 334 N -0.73 0.94 -0.94 0.00 2.04 -0.42 -2.97 117.51 115.44 3epk h ILE 334 Ca -0.03 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.74 3epk h ILE 334 Cb 0.64 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 3epk h ILE 334 CO -0.03 0.04 0.61 0.28 0.00 0.00 0.00 178.15 179.04 3epk h SER 335 N -0.21 0.92 0.07 1.72 0.02 0.50 0.41 113.55 116.98 3epk h SER 335 Ca -0.01 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3epk h SER 335 Cb 0.17 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3epk h SER 335 CO 0.02 0.57 -0.09 -1.13 -1.14 0.00 0.00 176.83 175.06 3epk h ASN 336 N 1.03 -0.25 -0.61 3.07 -1.24 0.18 0.85 115.58 118.62 3epk h ASN 336 Ca 0.42 0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.39 3epk h ASN 336 Cb 0.27 0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 3epk h ASN 336 CO -0.17 -0.14 0.12 0.44 -1.29 0.00 0.00 177.43 176.39 3epk h ASP 337 N -0.19 0.94 0.46 1.15 3.45 -1.25 -1.68 116.42 119.31 3epk h ASP 337 Ca 0.01 -0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.21 3epk h ASP 337 Cb 0.20 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.70 3epk h ASP 337 CO -0.04 0.95 -0.45 0.15 -1.57 0.00 0.00 179.24 178.28 3epk h PHE 338 N 0.90 -1.22 -0.35 4.55 3.57 -0.50 -1.96 116.94 121.93 3epk h PHE 338 Ca 0.19 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.72 3epk h PHE 338 Cb 0.39 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3epk h PHE 338 CO 0.03 -0.61 0.24 0.82 -2.23 0.00 0.00 178.31 176.55 3epk h ILE 339 N -0.91 1.02 0.00 1.41 2.04 -0.82 -0.86 117.51 119.38 3epk h ILE 339 Ca -0.05 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3epk h ILE 339 Cb 0.80 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3epk h ILE 339 CO -0.05 0.07 0.00 -1.20 0.00 0.00 0.00 178.15 176.96 3epk n SER 340 N -4.49 1.24 -4.39 1.72 7.64 -0.64 -4.82 113.62 109.89 3epk n SER 340 Ca 0.03 -1.72 -0.37 0.00 1.01 0.00 0.00 58.87 57.83 3epk n SER 340 Cb 0.16 -0.43 -0.08 0.00 -1.01 0.00 0.00 64.21 62.85 3epk n SER 340 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3epk n ASN 341 N 0.18 -0.94 -4.36 6.43 2.85 -0.33 -4.94 115.26 114.16 3epk n ASN 341 Ca 0.00 -1.21 -0.24 0.00 -0.11 0.00 0.00 54.58 53.01 3epk n ASN 341 Cb 0.26 -1.85 -0.12 0.00 1.24 0.00 0.00 39.78 39.32 3epk n ASN 341 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3epk s ARG 342 N -7.21 1.33 0.04 1.20 0.52 -0.80 -5.07 118.95 108.96 3epk s ARG 342 Ca 0.48 -1.39 -0.31 0.00 -0.52 0.00 0.00 55.73 53.99 3epk s ARG 342 Cb -0.27 -1.54 -0.06 0.00 0.52 0.00 0.00 34.95 33.60 3epk s ARG 342 CO 1.00 0.33 1.40 -1.25 0.02 0.00 0.00 175.30 176.80 3epk s PRO 343 N -2.54 4.30 0.19 3.54 0.04 -1.26 -4.25 135.00 135.02 3epk s PRO 343 Ca 0.15 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 62.88 3epk s PRO 343 Cb -0.07 -3.47 -0.11 0.00 0.04 0.00 0.00 34.50 30.89 3epk s PRO 343 CO 0.07 -0.53 1.65 0.42 0.04 0.00 0.00 177.00 178.65 3epk s ILE 344 N 1.96 2.30 -2.40 0.56 -1.09 -1.26 -4.89 121.20 116.38 3epk s ILE 344 Ca 0.64 0.22 0.24 0.00 -2.23 0.00 0.00 60.65 59.52 3epk s ILE 344 Cb -0.33 -3.14 0.10 0.00 -1.58 0.00 0.00 42.46 37.51 3epk s ILE 344 CO 0.28 0.02 1.21 0.29 -1.23 0.00 0.00 174.94 175.51 3epk n LYS 345 N 3.90 1.62 -2.11 2.79 5.02 -1.26 -4.98 118.16 123.14 3epk n LYS 345 Ca 0.15 -1.31 -0.36 0.00 -2.02 0.00 0.00 58.31 54.76 3epk n LYS 345 Cb 0.37 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.92 3epk n LYS 345 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3epk s GLN 346 N -2.28 3.33 0.00 1.97 -1.52 -1.26 -4.89 119.66 115.01 3epk s GLN 346 Ca 0.23 1.83 0.00 0.00 -1.95 0.00 0.00 55.36 55.47 3epk s GLN 346 Cb 0.19 -2.15 0.00 0.00 -0.22 0.00 0.00 33.01 30.83 3epk s GLN 346 CO 0.46 -0.92 0.98 -1.91 -0.25 0.00 0.00 175.29 173.65 3epk n GLU 347 N -1.08 0.00 0.00 2.91 4.07 -1.26 -4.83 120.64 120.45 3epk n GLU 347 Ca 0.11 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 57.68 3epk n GLU 347 Cb 0.49 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.36 3epk n GLU 347 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3epk n ARG 348 N -1.48 0.00 -3.49 5.31 0.63 -1.26 -4.82 116.66 111.55 3epk n ARG 348 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.94 3epk n ARG 348 Cb 0.01 -1.95 -0.04 0.00 0.45 0.00 0.00 32.46 30.93 3epk n ARG 348 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3epk s ALA 349 N -0.48 -2.45 0.16 5.13 0.00 -1.26 -1.44 121.76 121.41 3epk s ALA 349 Ca 0.00 2.16 -0.31 0.00 0.00 0.00 0.00 51.96 53.81 3epk s ALA 349 Cb 0.00 -1.95 -0.09 0.00 0.00 0.00 0.00 23.12 21.07 3epk s ALA 349 CO 0.00 -0.96 1.45 -1.25 0.00 0.00 0.00 175.76 175.00 3epk s PRO 350 N 2.64 4.28 0.10 0.00 0.04 -1.26 -4.62 135.00 136.18 3epk s PRO 350 Ca -0.03 2.21 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 3epk s PRO 350 Cb -0.09 -3.19 0.17 0.00 0.04 0.00 0.00 34.50 31.43 3epk s PRO 350 CO -0.18 -0.48 0.59 1.63 0.04 0.00 0.00 177.00 178.60 3epk n LYS 351 N 3.60 -0.04 -0.29 4.56 4.76 -1.26 0.12 118.16 129.61 3epk n LYS 351 Ca 0.11 0.59 0.12 0.00 -2.87 0.00 0.00 58.31 56.26 3epk n LYS 351 Cb 0.41 -0.87 0.37 0.00 -1.84 0.00 0.00 35.03 33.09 3epk n LYS 351 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3epk h ALA 352 N 0.74 1.81 -0.23 7.82 0.00 -2.06 -1.90 119.26 125.44 3epk h ALA 352 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3epk h ALA 352 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3epk h ALA 352 CO -0.39 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.07 3epk n LEU 353 N -4.58 2.69 -0.44 0.00 4.77 0.32 -4.65 117.00 115.11 3epk n LEU 353 Ca 0.18 -1.50 0.36 0.00 -0.03 0.00 0.00 56.01 55.02 3epk n LEU 353 Cb 0.49 -0.15 0.65 0.00 -2.33 0.00 0.00 43.42 42.08 3epk n LEU 353 CO 0.28 0.60 1.27 -0.08 -1.33 0.00 0.00 177.39 178.13 3epk h GLU 354 N 2.71 0.12 0.00 3.23 4.81 -0.39 0.19 114.58 125.25 3epk h GLU 354 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3epk h GLU 354 Cb 0.70 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3epk h GLU 354 CO 0.00 0.08 -0.17 0.93 -0.73 0.00 0.00 179.01 179.12 3epk h GLU 355 N 0.12 0.00 -0.31 1.92 4.39 -1.82 -3.23 114.58 115.65 3epk h GLU 355 Ca 0.77 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.46 3epk h GLU 355 Cb 2.48 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 31.12 3epk h GLU 355 CO -0.32 0.17 0.14 -0.07 -1.16 0.00 0.00 179.01 177.77 3epk h LEU 356 N 0.00 0.38 -0.75 1.33 3.38 -0.98 -1.90 115.31 116.77 3epk h LEU 356 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3epk h LEU 356 Cb 0.61 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3epk h LEU 356 CO 0.02 0.34 -0.04 0.18 0.09 0.00 0.00 178.44 179.03 3epk n LEU 357 N -4.43 1.21 -4.72 1.67 4.77 -1.22 -4.62 117.00 109.66 3epk n LEU 357 Ca 0.02 -0.38 -0.31 0.00 -0.03 0.00 0.00 56.01 55.30 3epk n LEU 357 Cb 0.12 -0.03 0.13 0.00 -2.33 0.00 0.00 43.42 41.31 3epk n LEU 357 CO 0.36 0.21 0.70 -0.94 -1.33 0.00 0.00 177.39 176.38 3epk s SER 358 N -2.10 3.72 0.16 -1.43 1.04 -0.72 -4.89 113.70 109.49 3epk s SER 358 Ca 0.37 2.03 -0.11 0.00 0.48 0.00 0.00 55.95 58.71 3epk s SER 358 Cb 0.21 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.82 3epk s SER 358 CO 0.37 -2.56 1.64 0.11 0.98 0.00 0.00 173.24 173.78 3epk h LYS 359 N -1.43 0.93 -0.97 4.02 1.79 -1.91 -2.77 116.57 116.22 3epk h LYS 359 Ca -0.44 -0.27 0.13 0.00 -2.18 0.00 0.00 60.65 57.90 3epk h LYS 359 Cb 1.25 -0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 31.72 3epk h LYS 359 CO 0.46 0.91 0.61 0.78 -1.08 0.00 0.00 179.45 181.14 3epk h GLY 360 N 0.81 1.53 1.52 3.86 0.00 -1.92 0.67 103.07 109.54 3epk h GLY 360 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3epk h GLY 360 CO 0.02 0.12 -0.18 1.18 0.00 0.00 0.00 176.54 177.68 3epk n GLU 361 N -4.61 0.10 0.00 4.80 -0.58 -1.15 -4.21 120.64 114.99 3epk n GLU 361 Ca 0.19 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 3epk n GLU 361 Cb 0.41 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3epk n GLU 361 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3epk n THR 362 N -1.43 0.00 -0.03 2.62 -2.24 0.13 -4.72 114.28 108.62 3epk n THR 362 Ca 0.08 0.00 0.24 0.00 -2.27 0.00 0.00 64.05 62.09 3epk n THR 362 Cb 0.33 0.00 0.63 0.00 -2.10 0.00 0.00 70.33 69.19 3epk n THR 362 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3epk h THR 363 N 0.00 0.21 0.00 4.28 1.35 -1.70 0.76 112.91 117.82 3epk h THR 363 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 3epk h THR 363 Cb 0.00 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 3epk h THR 363 CO 0.00 0.00 -0.22 -0.03 -0.25 0.00 0.00 175.52 175.02 3epk h MET 364 N 0.00 0.00 0.00 4.72 -1.53 -1.53 -2.72 114.93 113.87 3epk h MET 364 Ca 0.31 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.57 3epk h MET 364 Cb 1.81 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.86 3epk h MET 364 CO -0.00 0.22 -0.14 1.63 0.14 0.00 0.00 176.91 178.75 3epk n LYS 365 N -4.20 0.25 -2.01 0.39 5.02 0.26 -4.89 118.16 112.98 3epk n LYS 365 Ca -0.02 0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 3epk n LYS 365 Cb 0.28 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 3epk n LYS 365 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3epk s LYS 366 N -3.11 4.26 -0.00 1.97 1.02 -1.03 -4.94 119.74 117.91 3epk s LYS 366 Ca 0.10 2.29 -0.30 0.00 0.02 0.00 0.00 55.97 58.08 3epk s LYS 366 Cb 0.13 -3.14 -0.06 0.00 -0.52 0.00 0.00 37.83 34.24 3epk s LYS 366 CO 0.62 -0.46 1.55 -1.17 -0.92 0.00 0.00 175.35 174.97 3epk s LEU 367 N 0.13 4.33 -0.08 3.17 2.96 -1.26 -4.90 118.68 123.02 3epk s LEU 367 Ca 0.62 2.25 0.09 0.00 -0.22 0.00 0.00 54.13 56.87 3epk s LEU 367 Cb -0.42 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.60 3epk s LEU 367 CO 0.39 -0.84 0.07 -0.90 -1.32 0.00 0.00 176.35 173.76 3epk n ASP 368 N 6.08 2.64 -4.65 3.68 5.68 -1.26 -4.95 116.55 123.78 3epk n ASP 368 Ca 0.15 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 54.02 3epk n ASP 368 Cb 0.42 0.89 -0.04 0.00 -1.14 0.00 0.00 41.12 41.26 3epk n ASP 368 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3epk s ASP 369 N -3.96 6.87 0.00 -1.12 -1.08 -1.26 -4.92 116.67 111.20 3epk s ASP 369 Ca -0.05 1.09 0.06 0.00 -0.52 0.00 0.00 52.55 53.13 3epk s ASP 369 Cb 0.04 -2.45 -0.05 0.00 -1.46 0.00 0.00 42.92 38.99 3epk s ASP 369 CO 0.40 -0.52 0.31 0.79 0.52 0.00 0.00 175.17 176.67 3epk n TRP 370 N 5.94 0.00 -1.66 -5.34 7.02 -1.26 -3.46 117.44 118.68 3epk n TRP 370 Ca 0.06 0.00 -0.51 0.00 -1.02 0.00 0.00 57.50 56.03 3epk n TRP 370 Cb 0.48 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.31 3epk n TRP 370 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3epk n THR 371 N -0.99 0.20 -2.80 -0.99 -2.24 -1.26 -4.47 114.28 101.73 3epk n THR 371 Ca 0.01 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 3epk n THR 371 Cb 0.10 -1.35 -0.07 0.00 -2.10 0.00 0.00 70.33 66.92 3epk n THR 371 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3epk s HIS 372 N 2.07 3.37 0.02 4.78 3.76 -1.26 -2.52 115.29 125.50 3epk s HIS 372 Ca 0.88 1.64 0.03 0.00 -0.15 0.00 0.00 55.06 57.46 3epk s HIS 372 Cb -0.84 -2.87 -0.02 0.00 1.11 0.00 0.00 32.58 29.96 3epk s HIS 372 CO 0.49 -0.08 -0.10 0.71 -0.85 0.00 0.00 174.74 174.91 3epk s TYR 373 N -2.07 0.88 -0.15 1.40 2.02 -0.29 -4.99 117.35 114.14 3epk s TYR 373 Ca 0.60 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 3epk s TYR 373 Cb -0.11 -0.54 0.03 0.00 -0.40 0.00 0.00 41.96 40.94 3epk s TYR 373 CO 0.15 -0.01 -0.10 0.99 -1.57 0.00 0.00 175.55 175.01 3epk s THR 374 N -0.66 1.37 -0.08 -0.71 2.01 -1.26 -1.34 115.64 114.96 3epk s THR 374 Ca -0.00 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 3epk s THR 374 Cb -0.06 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3epk s THR 374 CO 0.00 0.32 1.18 0.00 -0.69 0.00 0.00 174.62 175.43 3epk n ASN 376 N 5.32 0.35 -0.02 0.00 0.23 -1.26 -3.86 115.26 116.03 3epk n ASN 376 Ca 0.11 -0.31 0.02 0.00 -0.53 0.00 0.00 54.58 53.87 3epk n ASN 376 Cb 0.46 -0.12 -0.08 0.00 -2.08 0.00 0.00 39.78 37.96 3epk n ASN 376 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3epk n VAL 377 N -1.15 0.22 -4.08 3.53 0.31 -1.26 -5.00 118.33 110.90 3epk n VAL 377 Ca 0.12 -0.31 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 3epk n VAL 377 Cb 0.29 -0.06 -0.07 0.00 -0.91 0.00 0.00 33.84 33.10 3epk n VAL 377 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3epk s ARG 379 N -1.36 0.56 0.70 0.00 1.70 -1.26 -1.51 118.95 117.77 3epk s ARG 379 Ca 0.19 0.67 -0.08 0.00 -0.47 0.00 0.00 55.73 56.04 3epk s ARG 379 Cb -0.12 0.27 0.04 0.00 -0.57 0.00 0.00 34.95 34.57 3epk s ARG 379 CO 0.09 -0.07 1.03 -0.80 -1.08 0.00 0.00 175.30 174.47 3epk s ASN 380 N 0.28 5.04 0.57 -2.89 0.01 -0.11 -4.89 114.94 112.95 3epk s ASN 380 Ca -0.00 0.68 0.32 0.00 -0.71 0.00 0.00 52.86 53.14 3epk s ASN 380 Cb -0.03 -1.40 1.44 0.00 0.41 0.00 0.00 41.25 41.66 3epk s ASN 380 CO 0.00 -1.49 1.79 0.00 -1.51 0.00 0.00 177.10 175.90 3epk h ALA 381 N -0.59 2.69 0.00 0.60 0.00 -2.03 1.00 119.26 120.93 3epk h ALA 381 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3epk h ALA 381 Cb 1.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3epk h ALA 381 CO 0.62 -1.15 0.00 -0.40 0.00 0.00 0.00 179.25 178.32 3epk n ASP 382 N -3.88 0.00 0.00 0.00 5.68 -1.26 -4.87 116.55 112.22 3epk n ASP 382 Ca 0.17 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 53.05 3epk n ASP 382 Cb 1.01 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 3epk n ASP 382 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3epk n GLY 383 N 0.65 2.96 3.76 6.12 0.00 0.34 -5.01 105.19 114.01 3epk n GLY 383 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3epk n GLY 383 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3epk s LYS 384 N -0.18 2.43 0.24 1.61 1.02 -1.25 -4.70 119.74 118.91 3epk s LYS 384 Ca 0.00 1.37 -0.20 0.00 0.02 0.00 0.00 55.97 57.16 3epk s LYS 384 Cb 0.00 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.32 3epk s LYS 384 CO 0.00 -1.53 0.75 -0.80 -0.92 0.00 0.00 175.35 172.85 3epk s ASN 385 N -2.79 7.06 0.33 2.83 -0.87 -1.26 -0.93 114.94 119.31 3epk s ASN 385 Ca 0.66 1.45 -0.29 0.00 -1.57 0.00 0.00 52.86 53.11 3epk s ASN 385 Cb -0.20 -2.43 -0.12 0.00 -0.02 0.00 0.00 41.25 38.47 3epk s ASN 385 CO 0.48 0.00 1.41 0.52 -2.57 0.00 0.00 177.10 176.93 3epk n VAL 386 N 0.61 1.69 -3.75 1.60 0.31 -0.57 -4.84 118.33 113.38 3epk n VAL 386 Ca -0.01 -0.42 -0.27 0.00 -0.01 0.00 0.00 64.34 63.62 3epk n VAL 386 Cb 0.51 -1.72 -0.16 0.00 -0.91 0.00 0.00 33.84 31.55 3epk n VAL 386 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3epk s VAL 387 N -0.78 0.58 0.20 2.52 1.01 -1.26 -1.00 120.40 121.68 3epk s VAL 387 Ca 0.58 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 3epk s VAL 387 Cb -0.54 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3epk s VAL 387 CO 0.59 -0.16 0.40 0.00 0.00 0.00 0.00 175.10 175.93 3epk s ALA 388 N 1.83 3.80 -0.15 5.51 0.00 -0.45 -4.89 121.76 127.42 3epk s ALA 388 Ca -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3epk s ALA 388 Cb -0.17 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.90 3epk s ALA 388 CO -0.08 0.47 -0.19 0.42 0.00 0.00 0.00 175.76 176.38 3epk s ILE 389 N -1.85 2.37 0.00 0.00 1.01 -1.26 -1.13 121.20 120.34 3epk s ILE 389 Ca 0.40 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.17 3epk s ILE 389 Cb -0.11 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.38 3epk s ILE 389 CO 0.28 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.36 3epk n GLY 390 N 4.06 -1.24 0.31 6.18 0.00 -1.05 -4.43 105.19 109.03 3epk n GLY 390 Ca -0.19 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 44.88 3epk n GLY 390 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3epk h GLU 391 N 0.00 0.36 -0.47 1.61 4.81 -1.85 0.64 114.58 119.68 3epk h GLU 391 Ca 0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3epk h GLU 391 Cb 0.00 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.22 3epk h GLU 391 CO 0.00 0.24 0.01 -0.22 -0.73 0.00 0.00 179.01 178.31 3epk h LYS 392 N 0.37 0.12 0.00 1.92 3.64 -1.96 -0.92 116.57 119.74 3epk h LYS 392 Ca 0.55 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.89 3epk h LYS 392 Cb 1.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3epk h LYS 392 CO -0.54 0.08 -0.30 1.88 -2.27 0.00 0.00 179.45 178.30 3epk h TYR 393 N 0.12 0.00 -0.45 1.91 -1.99 -1.47 -2.89 116.97 112.20 3epk h TYR 393 Ca 0.23 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.86 3epk h TYR 393 Cb 0.34 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 3epk h TYR 393 CO -0.29 0.17 -0.13 2.35 -0.00 0.00 0.00 178.16 180.26 3epk h TRP 394 N 0.00 0.93 -0.17 4.88 2.91 -0.06 -2.11 115.95 122.32 3epk h TRP 394 Ca -0.01 -0.18 -0.21 0.00 1.13 0.00 0.00 58.89 59.62 3epk h TRP 394 Cb 1.13 -0.23 0.01 0.00 -0.51 0.00 0.00 29.16 29.56 3epk h TRP 394 CO 0.00 0.91 -0.71 0.87 -1.03 0.00 0.00 178.44 178.47 3epk h LYS 395 N 0.75 0.75 -0.81 2.65 1.57 -1.21 -2.59 116.57 117.68 3epk h LYS 395 Ca 0.12 -0.57 0.12 0.00 -1.87 0.00 0.00 60.65 58.45 3epk h LYS 395 Cb 0.63 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.96 3epk h LYS 395 CO 0.04 1.19 0.42 0.82 -0.57 0.00 0.00 179.45 181.35 3epk h ILE 396 N 0.53 0.79 0.18 1.86 2.04 -1.24 -0.91 117.51 120.76 3epk h ILE 396 Ca -0.03 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3epk h ILE 396 Cb 1.33 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3epk h ILE 396 CO 0.15 0.12 -0.09 -0.74 0.00 0.00 0.00 178.15 177.59 3epk h HIS 397 N 0.64 -0.22 -0.93 1.37 2.76 -1.33 -1.89 115.15 115.56 3epk h HIS 397 Ca 0.42 -0.01 0.24 0.00 -2.20 0.00 0.00 60.37 58.82 3epk h HIS 397 Cb 0.53 0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.50 3epk h HIS 397 CO -0.09 0.03 0.63 -0.07 -1.30 0.00 0.00 177.93 177.13 3epk h LEU 398 N -0.46 0.25 -1.91 0.26 3.38 -0.91 0.28 115.31 116.19 3epk h LEU 398 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3epk h LEU 398 Cb 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3epk h LEU 398 CO 0.04 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3epk n GLY 399 N -1.59 1.19 3.79 0.83 0.00 -0.43 -4.45 105.19 104.53 3epk n GLY 399 Ca 0.20 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 3epk n GLY 399 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3epk s SER 400 N -1.63 6.19 0.56 1.61 1.04 0.10 -4.86 113.70 116.72 3epk s SER 400 Ca 0.35 1.95 0.30 0.00 0.48 0.00 0.00 55.95 59.04 3epk s SER 400 Cb 0.21 -2.56 1.69 0.00 0.10 0.00 0.00 66.02 65.46 3epk s SER 400 CO 0.30 -0.89 2.17 0.03 0.98 0.00 0.00 173.24 175.84 3epk h ARG 401 N 1.39 0.00 0.75 4.02 3.08 -1.91 0.60 114.38 122.30 3epk h ARG 401 Ca -0.49 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 3epk h ARG 401 Cb 1.23 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.28 3epk h ARG 401 CO 0.58 0.06 -0.36 -0.09 -1.07 0.00 0.00 179.97 179.09 3epk h ARG 402 N 0.00 -0.97 -0.09 0.04 2.43 -1.91 0.14 114.38 114.02 3epk h ARG 402 Ca -0.00 0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3epk h ARG 402 Cb 0.17 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3epk h ARG 402 CO 0.01 -0.64 -0.10 1.25 -1.51 0.00 0.00 179.97 178.97 3epk h HIS 403 N -1.06 -0.25 -0.14 2.20 2.76 -1.64 -1.16 115.15 115.86 3epk h HIS 403 Ca -0.10 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.13 3epk h HIS 403 Cb 0.77 0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.79 3epk h HIS 403 CO 0.04 -0.16 -0.36 0.87 -1.30 0.00 0.00 177.93 177.03 3epk h LYS 404 N -0.13 -0.41 -0.84 5.26 1.57 -0.86 0.17 116.57 121.33 3epk h LYS 404 Ca 0.07 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 3epk h LYS 404 Cb 0.23 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 3epk h LYS 404 CO -0.17 -0.28 0.51 1.03 -0.57 0.00 0.00 179.45 179.97 3epk h SER 405 N -0.43 0.76 0.11 0.86 0.87 -0.53 -0.08 113.55 115.12 3epk h SER 405 Ca 0.09 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3epk h SER 405 Cb 0.58 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3epk h SER 405 CO -0.38 0.46 -0.21 0.78 -0.53 0.00 0.00 176.83 176.95 3epk h ASN 406 N 0.88 0.18 1.20 6.23 4.21 -0.22 -2.34 115.58 125.72 3epk h ASN 406 Ca 0.39 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.85 3epk h ASN 406 Cb 0.27 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 3epk h ASN 406 CO -0.21 0.41 0.00 -0.11 -1.29 0.00 0.00 177.43 176.23 3epk n LEU 407 N -4.21 0.44 -0.05 1.61 7.94 0.51 -2.63 117.00 120.61 3epk n LEU 407 Ca -0.01 0.55 -0.19 0.00 -1.11 0.00 0.00 56.01 55.25 3epk n LEU 407 Cb 0.32 -0.42 -0.13 0.00 0.53 0.00 0.00 43.42 43.73 3epk n LEU 407 CO 0.39 -0.13 -0.14 0.50 -1.11 0.00 0.00 177.39 176.89 3epk h LYS 408 N 0.00 0.08 -0.71 1.96 3.64 -0.79 -2.54 116.57 118.21 3epk h LYS 408 Ca 0.00 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3epk h LYS 408 Cb 0.60 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 3epk h LYS 408 CO 0.00 1.07 0.47 0.07 -2.27 0.00 0.00 179.45 178.79 3epk h ARG 409 N -0.78 0.93 0.44 1.90 0.11 -1.54 0.22 114.38 115.67 3epk h ARG 409 Ca -0.20 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 59.80 3epk h ARG 409 Cb 1.34 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 32.21 3epk h ARG 409 CO -0.04 0.62 -0.21 -0.91 0.10 0.00 0.00 179.97 179.52 3epk h ASN 410 N 0.96 -0.50 0.16 0.08 4.21 -1.61 -1.54 115.58 117.34 3epk h ASN 410 Ca 0.26 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.70 3epk h ASN 410 Cb -0.11 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 3epk h ASN 410 CO -0.06 -0.21 -0.13 0.74 -1.29 0.00 0.00 177.43 176.48 3epk h THR 411 N -0.80 0.70 -0.91 2.81 2.02 -1.08 -1.44 112.91 114.21 3epk h THR 411 Ca -0.06 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.30 3epk h THR 411 Cb 0.55 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 3epk h THR 411 CO 0.10 0.00 0.59 -0.09 0.37 0.00 0.00 175.52 176.49 3epk h ARG 412 N -0.31 0.55 -0.25 6.66 2.43 -0.61 -0.23 114.38 122.62 3epk h ARG 412 Ca -0.00 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 3epk h ARG 412 Cb 0.28 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3epk h ARG 412 CO -0.02 0.37 -0.34 0.37 -1.51 0.00 0.00 179.97 178.84 3epk h GLN 413 N 0.57 0.67 -0.29 0.20 4.15 -0.76 -2.54 115.11 117.12 3epk h GLN 413 Ca 0.48 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3epk h GLN 413 Cb 0.96 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 3epk h GLN 413 CO -0.22 1.00 0.13 0.00 -1.93 0.00 0.00 178.83 177.81 3epk h ALA 414 N 0.66 1.70 -0.15 3.38 0.00 -0.03 -2.45 119.26 122.37 3epk h ALA 414 Ca 0.03 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 3epk h ALA 414 Cb 0.92 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3epk h ALA 414 CO 0.08 0.25 -0.67 -0.44 0.00 0.00 0.00 179.25 178.47 3epk h ASP 415 N 0.39 0.68 -0.93 0.00 3.45 -1.04 -3.16 116.42 115.81 3epk h ASP 415 Ca 0.10 -0.41 0.27 0.00 0.43 0.00 0.00 57.03 57.42 3epk h ASP 415 Cb 0.05 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 38.58 3epk h ASP 415 CO -0.01 1.16 0.87 0.15 -1.57 0.00 0.00 179.24 179.84 3epk h PHE 416 N 0.42 0.00 0.07 4.55 3.57 -1.01 0.95 116.94 125.49 3epk h PHE 416 Ca -0.02 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.14 3epk h PHE 416 Cb 1.25 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 3epk h PHE 416 CO 0.06 0.00 -1.87 0.39 -2.23 0.00 0.00 178.31 174.66 3epk n GLU 417 N -3.70 0.68 -0.29 1.11 4.71 -1.20 -3.45 120.64 118.50 3epk n GLU 417 Ca 0.20 0.34 0.11 0.00 -0.01 0.00 0.00 57.16 57.80 3epk n GLU 417 Cb 1.17 -1.69 0.27 0.00 -1.01 0.00 0.00 31.44 30.19 3epk n GLU 417 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 3epk h LYS 418 N -0.32 0.35 0.00 3.49 3.64 -0.87 0.97 116.57 123.83 3epk h LYS 418 Ca -0.44 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.85 3epk h LYS 418 Cb 1.78 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 3epk h LYS 418 CO -0.05 0.23 -0.36 2.35 -2.27 0.00 0.00 179.45 179.35 3epk h TRP 419 N 0.36 0.00 0.00 1.91 7.01 -1.28 -2.51 115.95 121.44 3epk h TRP 419 Ca 0.52 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.52 3epk h TRP 419 Cb 0.96 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.02 3epk h TRP 419 CO -0.18 0.36 0.00 1.17 -2.79 0.00 0.00 178.44 177.00 3epk n LYS 420 N -3.80 0.58 0.00 2.65 3.00 0.33 -5.12 118.16 115.81 3epk n LYS 420 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3epk n LYS 420 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.97 3epk n LYS 420 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51