#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2epk s THR 3 N 0.00 2.54 0.05 0.00 -4.23 -0.37 -4.94 115.64 108.69 2epk s THR 3 Ca 0.00 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 2epk s THR 3 Cb 0.00 -2.25 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 2epk s THR 3 CO 0.00 -0.17 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.45 2epk s PHE 4 N -1.83 0.90 -0.07 3.99 0.08 -1.26 -1.04 117.98 118.74 2epk s PHE 4 Ca 0.23 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.89 2epk s PHE 4 Cb -0.08 -0.53 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 2epk s PHE 4 CO 0.12 -0.02 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.53 2epk s LEU 5 N -1.41 1.88 0.00 -0.37 1.43 -0.51 -4.78 118.68 114.91 2epk s LEU 5 Ca -0.05 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2epk s LEU 5 Cb -0.09 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.05 2epk s LEU 5 CO 0.01 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.31 2epk n GLY 6 N 3.51 0.84 3.78 -3.19 0.00 -1.26 -1.56 105.19 107.31 2epk n GLY 6 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2epk n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2epk s LEU 7 N 0.00 4.38 0.70 0.99 1.43 -1.26 -4.85 118.68 120.07 2epk s LEU 7 Ca 0.00 1.82 -0.08 0.00 -1.03 0.00 0.00 54.13 54.84 2epk s LEU 7 Cb 0.00 -3.93 0.04 0.00 0.03 0.00 0.00 46.19 42.34 2epk s LEU 7 CO 0.00 -0.03 1.03 -0.94 0.23 0.00 0.00 176.35 176.65 2epk s SER 8 N -1.56 5.05 0.29 2.29 1.04 -1.26 -4.92 113.70 114.64 2epk s SER 8 Ca 0.48 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.61 2epk s SER 8 Cb -0.19 -1.43 0.44 0.00 0.10 0.00 0.00 66.02 64.94 2epk s SER 8 CO 0.25 -1.48 1.83 0.77 0.98 0.00 0.00 173.24 175.58 2epk h SER 9 N -0.60 0.70 -0.88 7.02 4.64 -1.99 -0.90 113.55 121.55 2epk h SER 9 Ca -0.45 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 60.76 2epk h SER 9 Cb 1.29 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 2epk h SER 9 CO 0.62 0.72 0.58 0.50 -0.87 0.00 0.00 176.83 178.38 2epk h LYS 10 N 0.72 1.11 -0.06 4.77 3.64 -1.96 -1.90 116.57 122.89 2epk h LYS 10 Ca 0.15 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 2epk h LYS 10 Cb 0.32 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2epk h LYS 10 CO 0.00 0.73 -0.72 1.96 -2.27 0.00 0.00 179.45 179.16 2epk h GLN 11 N 1.14 0.32 -0.46 1.90 4.20 -1.77 -2.82 115.11 117.62 2epk h GLN 11 Ca 0.34 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.80 2epk h GLN 11 Cb -0.05 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2epk h GLN 11 CO -0.10 0.90 0.29 0.93 -0.67 0.00 0.00 178.83 180.19 2epk h GLU 12 N 0.21 0.58 -0.33 1.46 5.08 -0.76 -1.10 114.58 119.71 2epk h GLU 12 Ca -0.03 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2epk h GLU 12 Cb 1.28 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2epk h GLU 12 CO 0.12 0.38 -0.09 0.87 -1.00 0.00 0.00 179.01 179.29 2epk h LYS 13 N 0.60 0.56 -0.39 2.33 1.57 -1.31 -2.09 116.57 117.84 2epk h LYS 13 Ca 0.17 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2epk h LYS 13 Cb -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2epk h LYS 13 CO -0.05 0.65 0.04 0.00 -0.57 0.00 0.00 179.45 179.52 2epk h ALA 14 N 1.39 0.52 -0.02 3.86 0.00 -1.22 -2.35 119.26 121.44 2epk h ALA 14 Ca 0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2epk h ALA 14 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2epk h ALA 14 CO 0.03 0.26 -0.26 -0.07 0.00 0.00 0.00 179.25 179.20 2epk h LEU 15 N 0.50 0.03 -0.46 0.00 4.07 -0.93 -0.12 115.31 118.40 2epk h LEU 15 Ca 0.12 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 2epk h LEU 15 Cb 0.41 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 2epk h LEU 15 CO 0.01 0.29 0.05 0.58 -1.08 0.00 0.00 178.44 178.29 2epk h VAL 16 N 0.03 1.25 0.00 1.22 2.07 -1.20 -1.18 116.25 118.43 2epk h VAL 16 Ca 0.00 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 2epk h VAL 16 Cb 0.48 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2epk h VAL 16 CO 0.03 0.34 -0.27 0.03 0.02 0.00 0.00 177.57 177.72 2epk h ARG 17 N 0.63 0.00 -0.24 1.57 3.08 -0.68 -2.96 114.38 115.79 2epk h ARG 17 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2epk h ARG 17 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2epk h ARG 17 CO 0.01 0.27 0.00 1.28 -1.07 0.00 0.00 179.97 180.46 2epk n LEU 18 N -3.77 3.14 -0.26 3.04 4.77 -0.18 -4.57 117.00 119.17 2epk n LEU 18 Ca -0.01 -1.24 0.02 0.00 -0.03 0.00 0.00 56.01 54.74 2epk n LEU 18 Cb 0.37 -0.15 0.15 0.00 -2.33 0.00 0.00 43.42 41.46 2epk n LEU 18 CO 0.35 0.62 1.09 -0.78 -1.33 0.00 0.00 177.39 177.34 2epk h ASP 19 N 4.38 0.53 0.26 -1.43 3.58 -1.04 0.14 116.42 122.84 2epk h ASP 19 Ca 0.00 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2epk h ASP 19 Cb 0.95 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 2epk h ASP 19 CO 0.00 0.30 -0.05 0.07 -2.88 0.00 0.00 179.24 176.68 2epk h LYS 20 N 0.66 0.00 0.13 0.28 2.10 -1.83 -2.97 116.57 114.94 2epk h LYS 20 Ca 0.36 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.73 2epk h LYS 20 Cb 0.36 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2epk h LYS 20 CO -0.26 0.05 -1.44 1.88 -2.00 0.00 0.00 179.45 177.69 2epk h TYR 21 N 0.00 0.49 -3.52 0.07 -1.99 -1.30 -3.47 116.97 107.25 2epk h TYR 21 Ca -0.00 -0.36 -0.53 0.00 2.00 0.00 0.00 58.73 59.85 2epk h TYR 21 Cb 0.20 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 2epk h TYR 21 CO 0.00 1.56 0.14 -0.51 -0.00 0.00 0.00 178.16 179.35 2epk s LEU 22 N -7.52 4.51 -0.60 3.88 1.43 -0.88 -4.84 118.68 114.65 2epk s LEU 22 Ca -0.19 1.54 0.06 0.00 -1.03 0.00 0.00 54.13 54.51 2epk s LEU 22 Cb 0.04 -3.36 0.23 0.00 0.03 0.00 0.00 46.19 43.13 2epk s LEU 22 CO 0.78 0.16 0.64 0.59 0.23 0.00 0.00 176.35 178.74 2epk n ASN 23 N 1.32 2.78 0.12 2.29 3.02 -1.26 -4.87 115.26 118.66 2epk n ASN 23 Ca -0.05 -3.21 0.03 0.00 -0.03 0.00 0.00 54.58 51.32 2epk n ASN 23 Cb 0.50 -0.68 0.01 0.00 -0.61 0.00 0.00 39.78 39.00 2epk n ASN 23 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2epk h LEU 24 N 4.48 0.00 0.00 3.41 3.38 -1.93 -3.46 115.31 121.19 2epk h LEU 24 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2epk h LEU 24 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2epk h LEU 24 CO 0.72 0.47 0.00 0.61 0.09 0.00 0.00 178.44 180.34 2epk n GLY 25 N 1.25 0.04 3.02 0.83 0.00 -1.26 -4.12 105.19 104.95 2epk n GLY 25 Ca -0.00 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 2epk n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2epk n GLU 26 N 0.00 3.74 -4.53 1.61 4.71 -1.26 0.30 120.64 125.21 2epk n GLU 26 Ca 0.00 -3.82 -0.25 0.00 -0.01 0.00 0.00 57.16 53.08 2epk n GLU 26 Cb 0.00 -2.85 -0.11 0.00 -1.01 0.00 0.00 31.44 27.47 2epk n GLU 26 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 2epk s ILE 27 N -0.09 1.94 -0.10 -3.67 -4.36 -1.26 -4.96 121.20 108.71 2epk s ILE 27 Ca 0.38 -2.11 0.03 0.00 -0.26 0.00 0.00 60.65 58.69 2epk s ILE 27 Cb 0.06 -2.71 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 2epk s ILE 27 CO 0.02 -0.15 -0.20 0.00 0.24 0.00 0.00 174.94 174.85 2epk s ALA 28 N -2.79 2.35 -0.03 2.27 0.00 0.53 -1.24 121.76 122.85 2epk s ALA 28 Ca 0.33 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.41 2epk s ALA 28 Cb 0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 2epk s ALA 28 CO 0.16 0.31 -0.24 0.08 0.00 0.00 0.00 175.76 176.06 2epk s VAL 29 N 0.22 1.95 -0.02 0.00 1.01 -0.21 -1.06 120.40 122.29 2epk s VAL 29 Ca -0.13 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 60.88 2epk s VAL 29 Cb -0.16 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 2epk s VAL 29 CO 0.07 0.55 -0.22 -0.55 0.00 0.00 0.00 175.10 174.95 2epk s SER 30 N -0.41 3.41 0.02 3.32 0.15 0.12 -1.43 113.70 118.89 2epk s SER 30 Ca 0.05 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.33 2epk s SER 30 Cb -0.11 -0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 63.65 2epk s SER 30 CO 0.01 0.32 0.02 -0.76 1.20 0.00 0.00 173.24 174.03 2epk s LEU 31 N -0.74 3.59 -0.00 3.45 1.43 -0.60 -0.41 118.68 125.40 2epk s LEU 31 Ca 0.11 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2epk s LEU 31 Cb -0.10 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.98 2epk s LEU 31 CO 0.00 0.25 0.00 -0.69 0.23 0.00 0.00 176.35 176.14 2epk s VAL 32 N -1.18 -0.00 -0.10 -1.59 1.01 0.05 -4.81 120.40 113.78 2epk s VAL 32 Ca 0.22 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 2epk s VAL 32 Cb -0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 2epk s VAL 32 CO 0.14 0.01 0.56 -0.89 0.00 0.00 0.00 175.10 174.91 2epk s THR 33 N 0.07 5.13 -0.28 3.92 2.01 -1.26 -2.09 115.64 123.14 2epk s THR 33 Ca -0.01 1.13 -0.07 0.00 0.31 0.00 0.00 61.69 63.05 2epk s THR 33 Cb -0.01 -3.90 0.13 0.00 0.01 0.00 0.00 72.50 68.74 2epk s THR 33 CO -0.00 0.31 0.58 -0.62 -0.69 0.00 0.00 174.62 174.19 2epk s ASP 34 N 0.64 -0.93 0.09 3.53 3.68 -0.79 -4.93 116.67 117.96 2epk s ASP 34 Ca 0.30 1.25 0.26 0.00 2.13 0.00 0.00 52.55 56.49 2epk s ASP 34 Cb -0.16 2.02 1.00 0.00 -1.45 0.00 0.00 42.92 44.33 2epk s ASP 34 CO 0.13 -0.23 1.80 -1.54 0.13 0.00 0.00 175.17 175.46 2epk n SER 35 N 5.43 0.31 0.02 -0.34 3.41 -1.26 -3.66 113.62 117.52 2epk n SER 35 Ca -0.09 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 2epk n SER 35 Cb 0.50 -0.62 0.59 0.00 -0.26 0.00 0.00 64.21 64.42 2epk n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2epk h ALA 36 N 2.72 2.17 -2.24 7.33 0.00 -1.96 -3.43 119.26 123.85 2epk h ALA 36 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2epk h ALA 36 Cb 0.53 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.08 2epk h ALA 36 CO 0.00 -0.28 0.01 0.99 0.00 0.00 0.00 179.25 179.97 2epk s THR 37 N -5.20 0.01 0.12 0.00 2.01 -1.25 -5.07 115.64 106.26 2epk s THR 37 Ca -0.06 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.66 2epk s THR 37 Cb 0.19 -0.85 -0.07 0.00 0.01 0.00 0.00 72.50 71.78 2epk s THR 37 CO 0.73 -0.04 1.71 0.28 -0.69 0.00 0.00 174.62 176.61 2epk h SER 38 N 4.33 -0.14 -3.66 3.53 0.02 -1.65 -3.34 113.55 112.64 2epk h SER 38 Ca -0.28 0.04 -0.25 0.00 -0.84 0.00 0.00 61.79 60.46 2epk h SER 38 Cb 1.16 0.09 -0.30 0.00 0.14 0.00 0.00 62.40 63.49 2epk h SER 38 CO 0.25 -0.05 -0.71 -0.63 -1.14 0.00 0.00 176.83 174.54 2epk s ILE 39 N -6.20 -0.02 -0.03 3.27 1.01 -0.63 -1.08 121.20 117.52 2epk s ILE 39 Ca -0.13 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2epk s ILE 39 Cb 0.09 -0.05 0.01 0.00 0.01 0.00 0.00 42.46 42.52 2epk s ILE 39 CO 0.68 0.03 -0.05 -0.75 0.00 0.00 0.00 174.94 174.85 2epk s LYS 40 N 0.38 0.66 -0.08 2.79 2.20 -0.28 -0.75 119.74 124.67 2epk s LYS 40 Ca -0.03 -0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.47 2epk s LYS 40 Cb -0.04 -0.68 0.02 0.00 -1.51 0.00 0.00 37.83 35.61 2epk s LYS 40 CO -0.01 -0.02 -0.10 0.08 -0.36 0.00 0.00 175.35 174.94 2epk s VAL 41 N 0.58 1.08 -0.12 4.02 1.01 0.03 -0.41 120.40 126.59 2epk s VAL 41 Ca -0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 2epk s VAL 41 Cb -0.11 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.28 2epk s VAL 41 CO -0.00 0.36 0.30 -0.70 0.00 0.00 0.00 175.10 175.06 2epk s GLU 42 N 1.06 0.31 0.00 2.72 2.12 -0.43 -0.26 118.70 124.22 2epk s GLU 42 Ca -0.07 0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.78 2epk s GLU 42 Cb -0.15 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.29 2epk s GLU 42 CO -0.01 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 2epk n GLY 43 N 3.57 -1.91 3.58 -1.50 0.00 -0.64 0.09 105.19 108.38 2epk n GLY 43 Ca -0.19 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 2epk n GLY 43 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2epk s ARG 44 N -1.89 1.06 -1.53 1.61 1.70 -0.79 -0.20 118.95 118.90 2epk s ARG 44 Ca 0.00 -0.47 -0.08 0.00 -0.47 0.00 0.00 55.73 54.71 2epk s ARG 44 Cb 0.00 0.44 0.07 0.00 -0.57 0.00 0.00 34.95 34.88 2epk s ARG 44 CO 0.00 -0.47 0.57 1.04 -1.08 0.00 0.00 175.30 175.35 2epk n GLN 45 N -0.34 -3.24 -0.65 3.89 1.13 -1.26 -2.19 117.38 114.72 2epk n GLN 45 Ca -0.09 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 2epk n GLN 45 Cb 0.62 -4.75 0.00 0.00 0.11 0.00 0.00 30.24 26.22 2epk n GLN 45 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2epk n GLY 46 N -1.78 0.82 3.02 1.08 0.00 -1.26 -5.01 105.19 102.06 2epk n GLY 46 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2epk n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2epk s TYR 47 N -3.26 1.96 0.05 1.61 2.02 -0.93 -0.35 117.35 118.45 2epk s TYR 47 Ca 0.00 -1.00 0.03 0.00 -0.37 0.00 0.00 57.07 55.73 2epk s TYR 47 Cb 0.00 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 2epk s TYR 47 CO 0.00 -0.55 -0.11 0.71 -1.57 0.00 0.00 175.55 174.03 2epk s TYR 48 N 1.28 0.91 -0.12 2.71 2.02 -0.23 -1.88 117.35 122.05 2epk s TYR 48 Ca -0.01 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.25 2epk s TYR 48 Cb -0.14 -0.53 -0.01 0.00 -0.40 0.00 0.00 41.96 40.89 2epk s TYR 48 CO -0.06 -0.02 -0.18 -1.14 -1.57 0.00 0.00 175.55 172.58 2epk s GLN 49 N -1.58 3.23 -0.14 -0.62 0.74 0.11 -0.70 119.66 120.69 2epk s GLN 49 Ca -0.06 -0.77 -0.00 0.00 0.05 0.00 0.00 55.36 54.58 2epk s GLN 49 Cb -0.10 -2.49 -0.01 0.00 1.10 0.00 0.00 33.01 31.51 2epk s GLN 49 CO 0.01 0.18 -0.13 0.08 -0.55 0.00 0.00 175.29 174.88 2epk s VAL 50 N 0.39 2.93 0.02 1.34 1.01 0.45 -1.31 120.40 125.23 2epk s VAL 50 Ca -0.14 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.23 2epk s VAL 50 Cb -0.17 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2epk s VAL 50 CO 0.06 0.52 -0.24 -0.94 0.00 0.00 0.00 175.10 174.50 2epk s SER 51 N 0.56 2.91 0.03 3.32 1.04 0.46 -0.77 113.70 121.24 2epk s SER 51 Ca -0.08 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 55.83 2epk s SER 51 Cb -0.16 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.66 2epk s SER 51 CO 0.04 0.25 -0.05 -0.72 0.98 0.00 0.00 173.24 173.74 2epk s TYR 52 N -0.72 0.41 -0.13 5.02 -0.85 -0.89 -1.12 117.35 119.07 2epk s TYR 52 Ca 0.10 -0.55 -0.07 0.00 -0.52 0.00 0.00 57.07 56.03 2epk s TYR 52 Cb -0.09 -0.27 -0.03 0.00 0.38 0.00 0.00 41.96 41.95 2epk s TYR 52 CO 0.01 -0.16 -0.10 -0.22 -1.52 0.00 0.00 175.55 173.55 2epk h LYS 53 N 4.51 0.00 -5.95 -3.49 3.64 -1.17 -2.11 116.57 112.00 2epk h LYS 53 Ca -0.33 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.44 2epk h LYS 53 Cb 1.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 2epk h LYS 53 CO 0.42 0.04 -0.21 -0.65 -2.27 0.00 0.00 179.45 176.78 2epk s GLN 54 N -2.03 3.95 0.29 1.90 -0.21 -1.26 -4.75 119.66 117.55 2epk s GLN 54 Ca -0.11 0.39 0.04 0.00 0.02 0.00 0.00 55.36 55.70 2epk s GLN 54 Cb 0.01 -3.25 0.73 0.00 1.00 0.00 0.00 33.01 31.50 2epk s GLN 54 CO 0.17 0.63 1.71 -1.35 -2.12 0.00 0.00 175.29 174.33 2epk h PRO 55 N 4.96 0.45 0.00 2.91 0.11 -1.90 -0.11 132.00 138.42 2epk h PRO 55 Ca -0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2epk h PRO 55 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2epk h PRO 55 CO 0.63 0.30 -0.06 1.12 -0.21 0.00 0.00 178.00 179.78 2epk h HIS 56 N 0.46 0.00 0.00 0.65 2.07 -1.74 -2.44 115.15 114.15 2epk h HIS 56 Ca 0.56 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.08 2epk h HIS 56 Cb 1.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.01 2epk h HIS 56 CO -0.11 0.06 0.00 1.96 -3.07 0.00 0.00 177.93 176.77 2epk h GLN 57 N 0.00 0.00 -0.96 5.12 4.20 -1.34 -2.47 115.11 119.67 2epk h GLN 57 Ca -0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 2epk h GLN 57 Cb 0.28 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.97 2epk h GLN 57 CO 0.01 0.00 0.61 1.25 -0.67 0.00 0.00 178.83 180.02 2epk h LEU 58 N 0.00 0.72 0.03 1.46 5.85 -1.57 -0.66 115.31 121.15 2epk h LEU 58 Ca 0.00 0.06 -0.26 0.00 0.84 0.00 0.00 57.88 58.52 2epk h LEU 58 Cb 0.22 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2epk h LEU 58 CO 0.00 0.32 -1.15 1.88 -0.34 0.00 0.00 178.44 179.15 2epk h TYR 59 N 0.74 0.51 -0.67 1.25 0.05 -1.68 -1.39 116.97 115.79 2epk h TYR 59 Ca 0.51 -0.34 -0.05 0.00 0.05 0.00 0.00 58.73 58.89 2epk h TYR 59 Cb 0.80 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.48 2epk h TYR 59 CO -0.00 1.23 0.21 -0.09 -1.05 0.00 0.00 178.16 178.46 2epk h ARG 60 N 0.11 1.04 -0.47 4.88 2.43 -1.53 -2.32 114.38 118.52 2epk h ARG 60 Ca -0.12 -0.23 0.06 0.00 -0.81 0.00 0.00 59.98 58.89 2epk h ARG 60 Cb 1.85 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 31.20 2epk h ARG 60 CO 0.19 0.91 0.18 0.00 -1.51 0.00 0.00 179.97 179.74 2epk h ALA 61 N 1.09 0.58 -0.09 2.80 0.00 -0.77 0.41 119.26 123.28 2epk h ALA 61 Ca 0.21 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2epk h ALA 61 Cb 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2epk h ALA 61 CO -0.01 -0.21 -0.45 -0.07 0.00 0.00 0.00 179.25 178.52 2epk h LEU 62 N 0.36 0.22 -0.44 0.00 3.38 -1.24 -1.18 115.31 116.41 2epk h LEU 62 Ca 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2epk h LEU 62 Cb 0.21 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2epk h LEU 62 CO -0.22 0.64 0.25 0.00 0.09 0.00 0.00 178.44 179.21 2epk h ALA 63 N 1.37 0.57 -0.59 1.53 0.00 -0.77 0.16 119.26 121.53 2epk h ALA 63 Ca 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2epk h ALA 63 Cb 0.87 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2epk h ALA 63 CO 0.07 0.08 0.38 -0.07 0.00 0.00 0.00 179.25 179.71 2epk h LEU 64 N 0.58 0.65 -0.00 0.00 4.07 -0.50 0.17 115.31 120.27 2epk h LEU 64 Ca 0.16 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 2epk h LEU 64 Cb 0.03 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.62 2epk h LEU 64 CO -0.03 0.46 0.00 0.25 -1.08 0.00 0.00 178.44 178.05 2epk h LEU 65 N 0.77 0.00 -0.57 1.67 5.85 -1.03 -1.40 115.31 120.59 2epk h LEU 65 Ca 0.22 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.94 2epk h LEU 65 Cb -0.06 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 2epk h LEU 65 CO -0.06 0.09 0.22 -1.28 -0.34 0.00 0.00 178.44 177.06 2epk h SER 66 N -0.08 0.22 -0.70 1.25 0.87 -0.38 -1.53 113.55 113.20 2epk h SER 66 Ca 0.00 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 2epk h SER 66 Cb 0.09 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 2epk h SER 66 CO -0.00 0.14 0.20 0.00 -0.53 0.00 0.00 176.83 176.64 2epk h ALA 67 N 1.39 1.01 -0.42 6.23 0.00 -0.82 -1.86 119.26 124.79 2epk h ALA 67 Ca 0.28 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2epk h ALA 67 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2epk h ALA 67 CO -0.28 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.33 2epk h ALA 68 N 1.15 0.68 -0.37 0.00 0.00 -0.58 -1.17 119.26 118.97 2epk h ALA 68 Ca 0.23 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2epk h ALA 68 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2epk h ALA 68 CO -0.00 0.67 -0.22 -0.07 0.00 0.00 0.00 179.25 179.62 2epk h LEU 69 N 0.78 0.84 -1.00 0.00 3.38 -1.24 -1.96 115.31 116.10 2epk h LEU 69 Ca 0.09 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.68 2epk h LEU 69 Cb 0.87 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2epk h LEU 69 CO 0.08 1.08 0.66 0.03 0.09 0.00 0.00 178.44 180.37 2epk h ARG 70 N 0.60 1.22 0.00 1.13 3.08 -1.20 -0.17 114.38 119.05 2epk h ARG 70 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2epk h ARG 70 Cb 0.78 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2epk h ARG 70 CO 0.06 0.81 0.00 0.43 -1.07 0.00 0.00 179.97 180.20 2epk n SER 71 N -4.45 0.00 0.00 7.04 7.64 -0.45 -4.80 113.62 118.59 2epk n SER 71 Ca 0.14 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2epk n SER 71 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2epk n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2epk n GLY 72 N -0.20 0.77 3.79 0.23 0.00 -0.08 -5.05 105.19 104.66 2epk n GLY 72 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2epk n GLY 72 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2epk s GLN 73 N -0.61 3.68 -0.03 1.61 -0.21 -0.75 -4.97 119.66 118.39 2epk s GLN 73 Ca 0.00 1.42 -0.07 0.00 0.02 0.00 0.00 55.36 56.73 2epk s GLN 73 Cb 0.00 -2.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.91 2epk s GLN 73 CO 0.00 -0.54 -0.14 -3.47 -2.12 0.00 0.00 175.29 169.01 2epk n ASP 74 N -1.06 1.36 -4.69 5.90 2.03 -1.26 -4.48 116.55 114.35 2epk n ASP 74 Ca 0.10 0.21 -0.42 0.00 0.52 0.00 0.00 54.79 55.19 2epk n ASP 74 Cb 0.52 -0.48 -0.03 0.00 -0.72 0.00 0.00 41.12 40.41 2epk n ASP 74 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2epk s GLU 75 N -2.35 4.22 -0.09 -0.67 2.56 -1.26 -4.16 118.70 116.95 2epk s GLU 75 Ca -0.13 2.21 0.02 0.00 0.00 0.00 0.00 54.97 57.07 2epk s GLU 75 Cb 0.02 -3.64 0.01 0.00 2.00 0.00 0.00 34.13 32.53 2epk s GLU 75 CO 0.18 -0.70 -0.14 0.08 -0.56 0.00 0.00 175.26 174.12 2epk s VAL 76 N 2.74 1.38 -0.28 3.70 1.01 0.71 -5.00 120.40 124.67 2epk s VAL 76 Ca 0.71 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2epk s VAL 76 Cb -0.37 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 34.84 2epk s VAL 76 CO 0.30 0.42 0.12 -1.10 0.00 0.00 0.00 175.10 174.84 2epk s GLN 77 N 0.88 0.26 -0.02 2.72 -0.21 -1.25 -1.62 119.66 120.41 2epk s GLN 77 Ca -0.09 -0.54 0.06 0.00 0.02 0.00 0.00 55.36 54.80 2epk s GLN 77 Cb -0.15 -1.37 -0.01 0.00 1.00 0.00 0.00 33.01 32.47 2epk s GLN 77 CO 0.01 -0.96 -0.20 0.42 -2.12 0.00 0.00 175.29 172.43 2epk s ILE 78 N 2.04 1.58 -0.11 1.08 1.01 0.65 -4.99 121.20 122.45 2epk s ILE 78 Ca 0.08 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 2epk s ILE 78 Cb -0.16 -1.32 0.05 0.00 0.01 0.00 0.00 42.46 41.04 2epk s ILE 78 CO -0.31 0.45 0.25 -0.70 0.00 0.00 0.00 174.94 174.62 2epk s GLU 79 N -0.41 0.18 -0.03 2.79 2.12 -1.26 -0.79 118.70 121.29 2epk s GLU 79 Ca 0.06 0.62 0.03 0.00 0.36 0.00 0.00 54.97 56.04 2epk s GLU 79 Cb -0.08 -0.09 -0.00 0.00 0.26 0.00 0.00 34.13 34.21 2epk s GLU 79 CO -0.00 -0.22 -0.13 -1.21 -0.54 0.00 0.00 175.26 173.16 2epk s GLU 80 N 1.75 1.36 -0.29 4.30 2.02 0.08 -5.00 118.70 122.90 2epk s GLU 80 Ca -0.05 -0.46 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 2epk s GLU 80 Cb -0.11 -1.22 0.04 0.00 0.10 0.00 0.00 34.13 32.94 2epk s GLU 80 CO -0.08 0.19 0.01 -1.21 0.02 0.00 0.00 175.26 174.18 2epk s GLU 81 N 0.08 2.62 0.29 1.61 2.02 -1.25 -1.61 118.70 122.46 2epk s GLU 81 Ca -0.03 -1.14 -0.29 0.00 0.02 0.00 0.00 54.97 53.53 2epk s GLU 81 Cb -0.10 -3.19 -0.10 0.00 0.10 0.00 0.00 34.13 30.85 2epk s GLU 81 CO 0.01 -0.55 1.19 0.00 0.02 0.00 0.00 175.26 175.92 2epk s ALA 82 N 1.32 3.45 0.19 5.21 0.00 -1.26 -4.74 121.76 125.91 2epk s ALA 82 Ca -0.03 1.04 0.12 0.00 0.00 0.00 0.00 51.96 53.10 2epk s ALA 82 Cb -0.19 -3.39 0.30 0.00 0.00 0.00 0.00 23.12 19.85 2epk s ALA 82 CO -0.01 -0.36 1.57 0.00 0.00 0.00 0.00 175.76 176.96 2epk h ALA 83 N 3.75 0.84 -3.33 0.00 0.00 -1.41 -3.45 119.26 115.67 2epk h ALA 83 Ca -0.47 -0.57 -0.67 0.00 0.00 0.00 0.00 54.91 53.20 2epk h ALA 83 Cb 1.22 -0.10 -0.33 0.00 0.00 0.00 0.00 17.79 18.58 2epk h ALA 83 CO 0.67 0.78 -0.87 0.71 0.00 0.00 0.00 179.25 180.53 2epk s TYR 84 N -3.39 2.50 0.34 0.00 1.51 -1.26 -4.79 117.35 112.26 2epk s TYR 84 Ca -0.00 -1.05 0.09 0.00 -1.01 0.00 0.00 57.07 55.10 2epk s TYR 84 Cb 0.11 -1.68 0.63 0.00 -0.11 0.00 0.00 41.96 40.91 2epk s TYR 84 CO 0.75 -0.43 1.81 0.93 -1.11 0.00 0.00 175.55 177.50 2epk h GLU 85 N 6.79 0.20 -4.51 -0.62 5.08 -1.50 -3.41 114.58 116.62 2epk h GLU 85 Ca -0.21 -0.07 -0.51 0.00 -1.00 0.00 0.00 59.36 57.57 2epk h GLU 85 Cb 1.23 -0.01 -0.34 0.00 0.50 0.00 0.00 28.75 30.13 2epk h GLU 85 CO 0.48 0.48 -0.81 -0.51 -1.00 0.00 0.00 179.01 177.65 2epk s ASP 86 N -6.89 1.72 -0.10 1.42 1.01 -0.73 -4.96 116.67 108.14 2epk s ASP 86 Ca -0.05 -0.29 -0.00 0.00 0.71 0.00 0.00 52.55 52.92 2epk s ASP 86 Cb 0.14 -0.80 0.02 0.00 1.01 0.00 0.00 42.92 43.30 2epk s ASP 86 CO 0.75 0.03 -0.06 -0.22 0.21 0.00 0.00 175.17 175.87 2epk s LEU 87 N 0.69 1.11 0.05 1.23 2.96 -1.26 -1.76 118.68 121.71 2epk s LEU 87 Ca -0.14 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2epk s LEU 87 Cb -0.16 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 2epk s LEU 87 CO 0.03 -0.12 -0.20 0.00 -1.32 0.00 0.00 176.35 174.75 2epk s ALA 88 N 1.64 1.71 0.04 5.97 0.00 -0.51 -0.94 121.76 129.67 2epk s ALA 88 Ca 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2epk s ALA 88 Cb -0.13 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2epk s ALA 88 CO -0.06 0.37 0.02 0.98 0.00 0.00 0.00 175.76 177.07 2epk n TYR 89 N 1.70 -1.05 -3.59 0.00 9.36 -0.92 -0.40 117.16 122.26 2epk n TYR 89 Ca -0.18 -0.19 -0.12 0.00 3.32 0.00 0.00 57.90 60.73 2epk n TYR 89 Cb 0.53 -0.03 -0.06 0.00 -0.63 0.00 0.00 39.34 39.15 2epk n TYR 89 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2epk s ALA 91 N -2.06 -1.88 -0.19 2.98 0.00 -0.59 -0.86 121.76 119.15 2epk s ALA 91 Ca 0.02 1.71 -0.24 0.00 0.00 0.00 0.00 51.96 53.45 2epk s ALA 91 Cb -0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 2epk s ALA 91 CO 0.01 -0.30 0.76 0.34 0.00 0.00 0.00 175.76 176.57 2epk s ASP 92 N -0.40 6.85 -0.16 0.00 3.68 -1.13 -0.33 116.67 125.18 2epk s ASP 92 Ca -0.02 1.04 0.14 0.00 2.13 0.00 0.00 52.55 55.85 2epk s ASP 92 Cb -0.03 -2.42 0.36 0.00 -1.45 0.00 0.00 42.92 39.39 2epk s ASP 92 CO 0.01 -0.37 1.18 0.00 0.13 0.00 0.00 175.17 176.12 2epk n SER 94 N -1.04 0.38 -1.70 0.00 7.64 -1.19 -4.55 113.62 113.16 2epk n SER 94 Ca 0.16 -0.69 0.04 0.00 1.01 0.00 0.00 58.87 59.39 2epk n SER 94 Cb 0.71 0.91 0.32 0.00 -1.01 0.00 0.00 64.21 65.15 2epk n SER 94 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2epk n ARG 95 N -1.00 4.07 0.00 1.43 3.00 -1.26 -4.84 116.66 118.06 2epk n ARG 95 Ca 0.01 -2.62 0.00 0.00 -0.01 0.00 0.00 57.85 55.24 2epk n ARG 95 Cb 0.09 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 30.42 2epk n ARG 95 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2epk n ASN 96 N 0.40 0.00 -4.36 0.55 5.03 -1.26 -2.36 115.26 113.25 2epk n ASN 96 Ca 0.25 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 55.25 2epk n ASN 96 Cb 1.08 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.79 2epk n ASN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2epk s ALA 97 N -2.30 3.50 -0.40 5.41 0.00 -1.26 -4.07 121.76 122.63 2epk s ALA 97 Ca 0.00 -2.29 -0.17 0.00 0.00 0.00 0.00 51.96 49.49 2epk s ALA 97 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2epk s ALA 97 CO 0.00 -2.19 0.46 0.08 0.00 0.00 0.00 175.76 174.11 2epk s VAL 98 N 2.28 5.06 0.03 0.00 1.01 -1.26 -4.19 120.40 123.33 2epk s VAL 98 Ca 0.09 -0.10 -0.35 0.00 0.00 0.00 0.00 61.98 61.61 2epk s VAL 98 Cb -0.26 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 2epk s VAL 98 CO 0.06 -0.35 1.68 -0.11 0.00 0.00 0.00 175.10 176.38 2epk n LEU 99 N 5.66 3.04 -4.85 3.92 7.94 -1.26 0.45 117.00 131.90 2epk n LEU 99 Ca -0.07 1.04 -0.31 0.00 -1.11 0.00 0.00 56.01 55.57 2epk n LEU 99 Cb 0.48 -1.36 0.04 0.00 0.53 0.00 0.00 43.42 43.10 2epk n LEU 99 CO 0.46 -0.28 0.72 0.54 -1.11 0.00 0.00 177.39 177.72 2epk s ASN 100 N 2.25 5.63 0.23 1.96 2.20 -0.31 -4.68 114.94 122.22 2epk s ASN 100 Ca 0.86 1.40 -0.08 0.00 -0.94 0.00 0.00 52.86 54.10 2epk s ASN 100 Cb -0.74 -2.31 0.20 0.00 -2.00 0.00 0.00 41.25 36.41 2epk s ASN 100 CO 0.46 -1.25 1.89 -0.07 -2.94 0.00 0.00 177.10 175.18 2epk h LEU 101 N -0.59 1.04 -0.93 3.54 -0.00 -1.93 -0.19 115.31 116.25 2epk h LEU 101 Ca -0.44 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.35 2epk h LEU 101 Cb 1.22 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.58 2epk h LEU 101 CO 0.61 0.78 0.38 -1.28 -0.00 0.00 0.00 178.44 178.93 2epk h SER 102 N 1.20 1.04 0.45 -0.43 0.87 -1.94 -0.73 113.55 114.01 2epk h SER 102 Ca 0.32 -0.12 -0.18 0.00 -1.23 0.00 0.00 61.79 60.58 2epk h SER 102 Cb -0.08 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.60 2epk h SER 102 CO -0.06 0.88 -0.75 0.28 -0.53 0.00 0.00 176.83 176.64 2epk h SER 103 N 1.13 0.29 -0.99 6.23 0.02 -1.63 -2.13 113.55 116.48 2epk h SER 103 Ca 0.27 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2epk h SER 103 Cb 0.12 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 2epk h SER 103 CO -0.03 0.94 0.66 0.00 -1.14 0.00 0.00 176.83 177.25 2epk h ALA 104 N 1.05 1.27 -0.47 3.77 0.00 -0.57 -2.89 119.26 121.42 2epk h ALA 104 Ca -0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2epk h ALA 104 Cb 1.32 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2epk h ALA 104 CO 0.12 0.63 -0.12 0.87 0.00 0.00 0.00 179.25 180.75 2epk h LYS 105 N 1.33 0.91 -0.89 0.00 1.57 -0.95 -1.76 116.57 116.78 2epk h LYS 105 Ca 0.37 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2epk h LYS 105 Cb -0.13 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.13 2epk h LYS 105 CO -0.09 1.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.97 2epk n LYS 106 N -4.23 0.02 0.00 3.15 4.81 -0.82 -1.94 118.16 119.15 2epk n LYS 106 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2epk n LYS 106 Cb 0.39 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.22 2epk n LYS 106 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2epk n ILE 108 N 0.71 0.00 -0.11 3.15 5.41 -0.66 -1.25 119.36 126.62 2epk n ILE 108 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 2epk n ILE 108 Cb 0.01 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.92 2epk n ILE 108 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2epk h GLU 109 N 0.00 0.48 -0.09 0.38 5.08 -1.67 0.74 114.58 119.50 2epk h GLU 109 Ca 0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2epk h GLU 109 Cb 0.00 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2epk h GLU 109 CO 0.00 0.43 0.04 0.28 -1.00 0.00 0.00 179.01 178.75 2epk h VAL 110 N 0.41 1.13 -0.71 3.13 2.07 -1.46 -2.06 116.25 118.76 2epk h VAL 110 Ca 0.12 -0.37 0.10 0.00 0.82 0.00 0.00 66.70 67.36 2epk h VAL 110 Cb 0.10 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 2epk h VAL 110 CO -0.02 0.11 0.34 -0.07 0.02 0.00 0.00 177.57 177.95 2epk h LEU 111 N -0.00 0.41 -0.21 2.57 4.07 -1.74 -2.39 115.31 118.01 2epk h LEU 111 Ca 0.03 0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.09 2epk h LEU 111 Cb 0.14 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 2epk h LEU 111 CO -0.00 0.22 0.01 0.00 -1.08 0.00 0.00 178.44 177.59 2epk h ALA 112 N 1.45 0.20 0.00 1.53 0.00 -0.49 -1.31 119.26 120.63 2epk h ALA 112 Ca 0.36 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2epk h ALA 112 Cb 0.42 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2epk h ALA 112 CO -0.30 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 179.82 2epk n LEU 113 N -5.12 0.34 0.00 0.00 4.77 -0.81 -3.37 117.00 112.82 2epk n LEU 113 Ca -0.02 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2epk n LEU 113 Cb 0.11 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2epk n LEU 113 CO 0.27 0.06 0.14 0.61 -1.33 0.00 0.00 177.39 177.13 2epk n GLY 115 N 1.02 -1.20 3.77 -0.72 0.00 -0.55 -3.87 105.19 103.65 2epk n GLY 115 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2epk n GLY 115 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2epk s TYR 116 N 0.00 3.05 -0.16 1.61 1.51 -0.87 -4.87 117.35 117.61 2epk s TYR 116 Ca 0.00 1.41 0.19 0.00 -1.01 0.00 0.00 57.07 57.66 2epk s TYR 116 Cb 0.00 -3.68 -0.10 0.00 -0.11 0.00 0.00 41.96 38.07 2epk s TYR 116 CO 0.00 -1.86 0.86 -1.13 -1.11 0.00 0.00 175.55 172.31 2epk n SER 117 N 0.83 0.78 -3.88 2.29 3.41 -0.11 -4.61 113.62 112.32 2epk n SER 117 Ca 0.00 0.32 -0.12 0.00 -0.26 0.00 0.00 58.87 58.82 2epk n SER 117 Cb 0.42 0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 64.65 2epk n SER 117 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2epk s THR 118 N -3.12 0.02 -0.06 6.66 2.01 -1.05 -0.57 115.64 119.54 2epk s THR 118 Ca -0.03 -0.17 0.05 0.00 0.31 0.00 0.00 61.69 61.86 2epk s THR 118 Cb 0.09 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.51 2epk s THR 118 CO 0.81 -0.09 -0.20 0.12 -0.69 0.00 0.00 174.62 174.57 2epk s PHE 119 N -0.26 2.55 0.04 4.92 5.36 -0.46 -2.17 117.98 127.95 2epk s PHE 119 Ca -0.03 -0.48 0.04 0.00 -0.96 0.00 0.00 56.93 55.50 2epk s PHE 119 Cb -0.02 -1.62 -0.02 0.00 -0.34 0.00 0.00 43.02 41.02 2epk s PHE 119 CO -0.00 -0.06 -0.13 -1.21 -1.46 0.00 0.00 175.22 172.37 2epk s GLU 120 N -0.36 0.85 -0.09 10.12 2.02 -0.04 -1.74 118.70 129.46 2epk s GLU 120 Ca 0.03 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.34 2epk s GLU 120 Cb -0.12 -0.83 0.00 0.00 0.10 0.00 0.00 34.13 33.28 2epk s GLU 120 CO 0.02 0.20 -0.21 -0.51 0.02 0.00 0.00 175.26 174.78 2epk s LEU 121 N -1.12 1.99 0.49 1.80 1.43 -1.23 -1.55 118.68 120.50 2epk s LEU 121 Ca 0.00 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2epk s LEU 121 Cb -0.08 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 2epk s LEU 121 CO 0.01 0.14 0.79 -0.47 0.23 0.00 0.00 176.35 177.05 2epk s TYR 122 N 0.34 3.49 0.25 0.29 6.14 0.56 -0.85 117.35 127.57 2epk s TYR 122 Ca -0.16 0.73 0.00 0.00 0.64 0.00 0.00 57.07 58.28 2epk s TYR 122 Cb -0.17 -2.35 0.00 0.00 0.42 0.00 0.00 41.96 39.86 2epk s TYR 122 CO 0.07 -0.35 0.00 0.39 0.64 0.00 0.00 175.55 176.30 2epk n GLU 124 N -2.28 0.00 0.00 4.97 1.02 -1.26 -0.87 120.64 122.21 2epk n GLU 124 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2epk n GLU 124 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 2epk n GLU 124 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2epk n ASP 125 N -3.22 0.78 -2.22 1.62 5.75 -1.26 -4.52 116.55 113.48 2epk n ASP 125 Ca 0.00 -1.36 -0.30 0.00 -0.01 0.00 0.00 54.79 53.11 2epk n ASP 125 Cb 0.00 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.16 2epk n ASP 125 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2epk n THR 126 N -0.18 3.42 -4.02 2.12 -2.24 -1.26 -2.45 114.28 109.67 2epk n THR 126 Ca 0.00 -2.60 -0.08 0.00 -2.27 0.00 0.00 64.05 59.10 2epk n THR 126 Cb 0.37 -1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 67.30 2epk n THR 126 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2epk s TYR 127 N -3.33 0.38 0.15 4.78 1.13 -1.26 -0.14 117.35 119.06 2epk s TYR 127 Ca 0.56 -0.85 -0.28 0.00 -1.41 0.00 0.00 57.07 55.09 2epk s TYR 127 Cb 0.44 -0.28 -0.07 0.00 -1.10 0.00 0.00 41.96 40.95 2epk s TYR 127 CO -0.01 -0.38 0.89 -1.21 -2.51 0.00 0.00 175.55 172.32 2epk s GLU 128 N -3.46 4.69 -0.21 -3.49 2.02 -0.58 -4.68 118.70 112.99 2epk s GLU 128 Ca 0.02 1.34 0.00 0.00 0.02 0.00 0.00 54.97 56.36 2epk s GLU 128 Cb 0.04 -3.32 0.03 0.00 0.10 0.00 0.00 34.13 30.98 2epk s GLU 128 CO -0.08 0.39 -0.14 0.42 0.02 0.00 0.00 175.26 175.86 2epk s ILE 129 N -0.58 2.36 0.00 -1.63 1.01 -1.26 -4.80 121.20 116.29 2epk s ILE 129 Ca 0.42 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2epk s ILE 129 Cb -0.24 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.11 2epk s ILE 129 CO 0.29 0.35 0.00 1.21 0.00 0.00 0.00 174.94 176.78 2epk n GLU 130 N 4.61 0.00 -1.09 2.79 2.13 -1.26 -2.14 120.64 125.67 2epk n GLU 130 Ca -0.18 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.60 2epk n GLU 130 Cb 0.48 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.17 2epk n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2epk n ASN 131 N 0.34 -3.83 -3.44 4.31 3.02 -1.26 -4.95 115.26 109.45 2epk n ASN 131 Ca 0.00 0.08 -0.26 0.00 -0.03 0.00 0.00 54.58 54.37 2epk n ASN 131 Cb 0.00 -1.61 -0.09 0.00 -0.61 0.00 0.00 39.78 37.47 2epk n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2epk n GLN 132 N -2.32 1.45 0.28 3.52 1.13 -0.91 -4.98 117.38 115.55 2epk n GLN 132 Ca -0.03 -3.94 0.18 0.00 -1.94 0.00 0.00 57.00 51.27 2epk n GLN 132 Cb 0.18 -1.85 0.85 0.00 0.11 0.00 0.00 30.24 29.53 2epk n GLN 132 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2epk h PRO 133 N 4.61 0.00 0.00 -1.09 0.13 -1.93 -1.52 132.00 132.20 2epk h PRO 133 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2epk h PRO 133 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2epk h PRO 133 CO 0.62 0.00 -0.15 0.66 -0.23 0.00 0.00 178.00 178.90 2epk n TYR 134 N -2.94 0.06 -2.45 1.56 4.01 -1.26 -4.41 117.16 111.73 2epk n TYR 134 Ca -0.01 0.02 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 2epk n TYR 134 Cb 0.20 -0.46 -0.02 0.00 -0.31 0.00 0.00 39.34 38.74 2epk n TYR 134 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2epk s PHE 135 N -3.01 2.53 0.00 -0.72 5.36 -0.57 -2.40 117.98 119.17 2epk s PHE 135 Ca 0.13 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 56.75 2epk s PHE 135 Cb 0.18 -4.38 0.00 0.00 -0.34 0.00 0.00 43.02 38.48 2epk s PHE 135 CO 0.58 -1.72 0.00 0.41 -1.46 0.00 0.00 175.22 173.03 2epk n GLY 136 N 5.03 0.58 3.68 13.12 0.00 -1.03 -4.71 105.19 121.87 2epk n GLY 136 Ca 0.14 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2epk n GLY 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2epk s TYR 137 N -2.00 1.80 -2.06 1.61 5.04 -1.01 -1.86 117.35 118.87 2epk s TYR 137 Ca 0.00 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.45 2epk s TYR 137 Cb 0.00 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 38.12 2epk s TYR 137 CO 0.00 -5.08 0.00 1.19 -1.34 0.00 0.00 175.55 170.32 2epk n PHE 138 N 6.49 -0.33 0.66 4.97 3.72 -1.26 -4.88 117.46 126.83 2epk n PHE 138 Ca 0.19 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.66 2epk n PHE 138 Cb 0.40 -3.63 -0.00 0.00 -0.94 0.00 0.00 39.48 35.31 2epk n PHE 138 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2epk n ARG 139 N -2.60 1.75 -2.32 -1.08 5.12 -0.78 -4.73 116.66 112.03 2epk n ARG 139 Ca -0.22 -0.77 -0.05 0.00 -1.93 0.00 0.00 57.85 54.87 2epk n ARG 139 Cb 0.68 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.75 2epk n ARG 139 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2epk n GLY 140 N 1.09 0.32 3.64 -0.13 0.00 -1.26 -4.79 105.19 104.06 2epk n GLY 140 Ca 0.06 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2epk n GLY 140 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2epk n ARG 141 N -1.50 1.47 -2.31 1.61 1.85 -1.26 -4.93 116.66 111.60 2epk n ARG 141 Ca -0.04 0.53 -0.41 0.00 -1.00 0.00 0.00 57.85 56.93 2epk n ARG 141 Cb 0.53 -2.15 -0.03 0.00 -1.05 0.00 0.00 32.46 29.76 2epk n ARG 141 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2epk s TYR 142 N -1.27 3.35 0.63 2.89 1.51 0.80 -4.81 117.35 120.44 2epk s TYR 142 Ca 0.64 1.45 -0.11 0.00 -1.01 0.00 0.00 57.07 58.04 2epk s TYR 142 Cb -0.53 -3.48 -0.03 0.00 -0.11 0.00 0.00 41.96 37.80 2epk s TYR 142 CO 0.56 -1.31 1.03 0.95 -1.11 0.00 0.00 175.55 175.67 2epk s THR 143 N -0.57 4.59 0.27 -0.71 -4.23 -1.26 -1.53 115.64 112.20 2epk s THR 143 Ca 0.50 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.88 2epk s THR 143 Cb -0.35 -3.79 0.26 0.00 1.34 0.00 0.00 72.50 69.97 2epk s THR 143 CO 0.42 -1.08 1.80 0.58 -0.54 0.00 0.00 174.62 175.81 2epk h VAL 144 N -0.31 0.84 -0.81 2.29 2.07 -1.95 -1.57 116.25 116.81 2epk h VAL 144 Ca -0.44 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2epk h VAL 144 Cb 1.19 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2epk h VAL 144 CO 0.61 0.15 0.37 0.00 0.02 0.00 0.00 177.57 178.72 2epk h ALA 145 N 1.54 1.05 -0.48 1.67 0.00 -1.99 -0.71 119.26 120.34 2epk h ALA 145 Ca 0.48 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2epk h ALA 145 Cb 0.57 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2epk h ALA 145 CO -0.30 0.63 0.13 0.93 0.00 0.00 0.00 179.25 180.63 2epk h GLU 146 N 1.16 0.77 -0.44 0.00 5.08 -1.75 -0.71 114.58 118.69 2epk h GLU 146 Ca 0.28 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2epk h GLU 146 Cb 0.15 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2epk h GLU 146 CO -0.03 0.75 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.53 2epk h LEU 147 N 0.66 0.79 -0.75 1.33 3.38 -1.01 -1.79 115.31 117.91 2epk h LEU 147 Ca 0.15 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2epk h LEU 147 Cb 0.32 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2epk h LEU 147 CO 0.00 0.92 0.27 1.56 0.09 0.00 0.00 178.44 181.29 2epk h GLN 148 N 0.71 1.13 -0.86 1.13 4.20 -0.96 0.74 115.11 121.21 2epk h GLN 148 Ca 0.12 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2epk h GLN 148 Cb 0.61 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 2epk h GLN 148 CO 0.04 0.94 0.50 1.49 -0.67 0.00 0.00 178.83 181.13 2epk h GLU 149 N 1.09 1.18 -0.06 1.46 4.81 -0.83 0.23 114.58 122.46 2epk h GLU 149 Ca 0.25 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2epk h GLU 149 Cb 0.25 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2epk h GLU 149 CO -0.02 0.84 -0.06 0.82 -0.73 0.00 0.00 179.01 179.87 2epk h ILE 150 N 1.19 1.38 -0.69 2.32 2.04 -0.98 -1.82 117.51 120.95 2epk h ILE 150 Ca 0.31 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.97 2epk h ILE 150 Cb -0.02 2.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 2epk h ILE 150 CO -0.05 0.34 0.41 -0.08 0.00 0.00 0.00 178.15 178.77 2epk h GLU 151 N -0.31 0.76 -0.23 2.37 4.81 -0.68 -2.23 114.58 119.07 2epk h GLU 151 Ca 0.01 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2epk h GLU 151 Cb 0.58 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2epk h GLU 151 CO 0.02 0.50 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.20 2epk h ASP 152 N 0.78 0.38 -0.25 1.04 3.32 -0.51 -1.25 116.42 119.93 2epk h ASP 152 Ca 0.29 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 2epk h ASP 152 Cb 0.10 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2epk h ASP 152 CO -0.14 0.57 -0.30 0.22 -1.72 0.00 0.00 179.24 177.86 2epk h TYR 153 N 0.37 0.79 -0.44 4.55 3.20 -1.03 -2.08 116.97 122.33 2epk h TYR 153 Ca 0.07 -0.25 0.01 0.00 3.14 0.00 0.00 58.73 61.69 2epk h TYR 153 Cb 0.49 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2epk h TYR 153 CO 0.01 0.99 0.28 0.00 -1.64 0.00 0.00 178.16 177.81 2epk h ALA 154 N 0.67 0.55 -0.13 1.82 0.00 -1.21 -2.68 119.26 118.29 2epk h ALA 154 Ca 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2epk h ALA 154 Cb 0.88 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2epk h ALA 154 CO 0.07 -0.01 0.10 0.00 0.00 0.00 0.00 179.25 179.41 2epk h ALA 155 N 1.17 2.11 -0.01 0.00 0.00 -1.12 0.20 119.26 121.61 2epk h ALA 155 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2epk h ALA 155 Cb -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2epk h ALA 155 CO -0.04 -0.16 0.01 -0.44 0.00 0.00 0.00 179.25 178.61 2epk h ASP 156 N 0.00 0.00 -0.44 0.00 3.32 -1.01 0.40 116.42 118.69 2epk h ASP 156 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2epk h ASP 156 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2epk h ASP 156 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 2epk n PHE 157 N -3.77 1.56 -2.87 4.55 3.01 0.05 -4.70 117.46 115.29 2epk n PHE 157 Ca -0.03 -0.79 -0.04 0.00 1.01 0.00 0.00 57.45 57.61 2epk n PHE 157 Cb 0.09 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 2epk n PHE 157 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2epk n ASP 158 N 0.15 -7.64 -4.28 4.37 8.00 0.13 -4.22 116.55 113.06 2epk n ASP 158 Ca 0.25 1.01 -0.15 0.00 0.71 0.00 0.00 54.79 56.60 2epk n ASP 158 Cb 1.05 -4.49 -0.10 0.00 -0.02 0.00 0.00 41.12 37.56 2epk n ASP 158 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2epk s SER 160 N -1.69 1.44 -0.06 -2.24 0.01 0.27 -4.28 113.70 107.14 2epk s SER 160 Ca 0.07 -1.21 0.03 0.00 1.31 0.00 0.00 55.95 56.14 2epk s SER 160 Cb -0.02 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.31 2epk s SER 160 CO 0.65 -0.56 -0.13 0.12 0.41 0.00 0.00 173.24 173.73 2epk s PHE 161 N -3.58 1.44 -0.23 2.43 5.36 -1.26 -1.35 117.98 120.79 2epk s PHE 161 Ca 0.27 -0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 55.73 2epk s PHE 161 Cb 0.06 -1.04 0.07 0.00 -0.34 0.00 0.00 43.02 41.77 2epk s PHE 161 CO 0.07 -0.24 0.00 0.08 -1.46 0.00 0.00 175.22 173.67 2epk s VAL 162 N 0.53 1.10 0.30 3.12 1.01 -0.71 -4.75 120.40 121.00 2epk s VAL 162 Ca -0.12 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.52 2epk s VAL 162 Cb -0.14 -1.54 -0.11 0.00 0.00 0.00 0.00 36.38 34.59 2epk s VAL 162 CO 0.03 -0.24 1.47 -2.16 0.00 0.00 0.00 175.10 174.20 2epk s PRO 163 N 1.58 4.20 -0.27 2.72 0.04 -1.26 -3.47 135.00 138.53 2epk s PRO 163 Ca -0.01 2.43 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 2epk s PRO 163 Cb -0.18 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.34 2epk s PRO 163 CO -0.10 -0.47 -0.02 0.00 0.04 0.00 0.00 177.00 176.46 2epk n ILE 165 N 4.69 0.00 -4.63 0.00 -5.35 0.19 -4.15 119.36 110.11 2epk n ILE 165 Ca -0.15 -1.85 -0.25 0.00 -0.27 0.00 0.00 62.75 60.22 2epk n ILE 165 Cb 0.46 0.45 -0.17 0.00 -1.74 0.00 0.00 39.64 38.64 2epk n ILE 165 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2epk s GLN 166 N -3.36 1.81 0.00 6.28 -1.52 -1.26 -3.07 119.66 118.53 2epk s GLN 166 Ca 0.04 -0.45 0.05 0.00 -1.95 0.00 0.00 55.36 53.06 2epk s GLN 166 Cb 0.00 -1.48 0.08 0.00 -0.22 0.00 0.00 33.01 31.40 2epk s GLN 166 CO 0.03 0.03 0.85 0.25 -0.25 0.00 0.00 175.29 176.21 2epk n THR 167 N 3.81 0.42 0.08 -0.19 -2.24 -1.11 -4.86 114.28 110.18 2epk n THR 167 Ca -0.22 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 2epk n THR 167 Cb 0.52 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 2epk n THR 167 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2epk n LEU 168 N 0.15 -0.09 -4.56 3.22 7.94 -1.26 -4.98 117.00 117.42 2epk n LEU 168 Ca 0.04 0.26 -0.27 0.00 -1.11 0.00 0.00 56.01 54.93 2epk n LEU 168 Cb 0.21 0.22 -0.08 0.00 0.53 0.00 0.00 43.42 44.30 2epk n LEU 168 CO 0.03 -0.65 -0.20 0.00 -1.11 0.00 0.00 177.39 175.47 2epk s ALA 169 N -2.00 3.14 -0.83 1.96 0.00 -1.26 0.00 121.76 122.77 2epk s ALA 169 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 2epk s ALA 169 Cb 0.00 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2epk s ALA 169 CO 0.00 -0.29 0.72 0.72 0.00 0.00 0.00 175.76 176.90 2epk n HIS 170 N -0.98 -1.70 -1.99 0.00 8.25 -1.04 -4.82 115.22 112.94 2epk n HIS 170 Ca -0.08 0.63 -0.17 0.00 -0.26 0.00 0.00 57.72 57.84 2epk n HIS 170 Cb 0.65 -3.69 0.06 0.00 1.12 0.00 0.00 29.99 28.13 2epk n HIS 170 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2epk n LEU 171 N -3.25 4.29 0.05 2.41 4.77 -1.12 -4.82 117.00 119.33 2epk n LEU 171 Ca -0.05 -4.47 0.03 0.00 -0.03 0.00 0.00 56.01 51.49 2epk n LEU 171 Cb 0.56 -0.33 0.42 0.00 -2.33 0.00 0.00 43.42 41.74 2epk n LEU 171 CO 0.40 1.90 1.06 0.77 -1.33 0.00 0.00 177.39 180.20 2epk h SER 172 N 1.96 0.38 1.25 -1.43 4.64 -1.92 -1.83 113.55 116.60 2epk h SER 172 Ca 0.27 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2epk h SER 172 Cb 1.43 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2epk h SER 172 CO 0.58 0.35 0.00 0.00 -0.87 0.00 0.00 176.83 176.89 2epk h ALA 173 N 1.71 1.00 0.03 5.18 0.00 -1.97 -3.20 119.26 122.00 2epk h ALA 173 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 2epk h ALA 173 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2epk h ALA 173 CO -0.01 0.00 -1.55 0.34 0.00 0.00 0.00 179.25 178.03 2epk n PHE 174 N -2.94 0.98 1.05 0.00 7.35 -0.74 -4.37 117.46 118.79 2epk n PHE 174 Ca 0.02 0.36 0.10 0.00 -0.76 0.00 0.00 57.45 57.17 2epk n PHE 174 Cb 0.36 -1.11 0.55 0.00 0.35 0.00 0.00 39.48 39.63 2epk n PHE 174 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2epk n VAL 175 N -4.19 0.30 0.40 -2.13 0.24 -0.92 -2.84 118.33 109.19 2epk n VAL 175 Ca -0.34 0.08 0.13 0.00 -2.04 0.00 0.00 64.34 62.17 2epk n VAL 175 Cb 0.79 -0.73 0.50 0.00 -1.47 0.00 0.00 33.84 32.93 2epk n VAL 175 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2epk h LYS 176 N 0.00 0.00 -6.26 7.34 2.10 -1.75 -3.45 116.57 114.54 2epk h LYS 176 Ca 0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 2epk h LYS 176 Cb 0.17 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.47 2epk h LYS 176 CO 0.00 0.00 0.76 -1.58 -2.00 0.00 0.00 179.45 176.63 2epk s TRP 177 N -3.35 3.10 -1.50 0.07 0.52 -1.13 -4.91 118.94 111.73 2epk s TRP 177 Ca 0.05 1.16 -0.08 0.00 0.02 0.00 0.00 56.10 57.25 2epk s TRP 177 Cb 0.09 -3.44 0.00 0.00 -1.15 0.00 0.00 33.47 28.98 2epk s TRP 177 CO 0.47 -1.40 2.70 0.41 0.02 0.00 0.00 176.95 179.15 2epk n GLY 178 N 3.43 4.64 3.14 0.98 0.00 -1.26 -4.25 105.19 111.87 2epk n GLY 178 Ca 0.12 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 2epk n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2epk s ILE 179 N 0.88 1.36 0.33 -0.61 -1.09 -1.26 -5.04 121.20 115.77 2epk s ILE 179 Ca 0.62 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 58.35 2epk s ILE 179 Cb 0.18 -1.16 0.27 0.00 -1.58 0.00 0.00 42.46 40.17 2epk s ILE 179 CO -0.07 0.39 1.98 0.07 -1.23 0.00 0.00 174.94 176.08 2epk h LYS 180 N 6.06 0.93 0.00 2.79 2.10 -1.98 0.77 116.57 127.23 2epk h LYS 180 Ca -0.34 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2epk h LYS 180 Cb 1.16 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 2epk h LYS 180 CO 0.48 0.61 0.00 0.93 -2.00 0.00 0.00 179.45 179.47 2epk h GLU 181 N 0.96 0.00 0.00 0.07 3.07 -1.97 0.02 114.58 116.73 2epk h GLU 181 Ca 0.28 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.77 2epk h GLU 181 Cb -0.05 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.80 2epk h GLU 181 CO -0.07 0.00 -2.30 0.28 -1.40 0.00 0.00 179.01 175.52 2epk n VAL 182 N -2.37 1.30 0.23 3.13 0.31 -0.15 -4.57 118.33 116.20 2epk n VAL 182 Ca 0.00 -0.43 0.08 0.00 -0.01 0.00 0.00 64.34 63.98 2epk n VAL 182 Cb 0.16 -1.51 0.54 0.00 -0.91 0.00 0.00 33.84 32.12 2epk n VAL 182 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2epk h GLN 183 N -0.35 0.00 0.00 5.55 1.08 -0.71 -1.63 115.11 119.05 2epk h GLN 183 Ca -0.54 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 2epk h GLN 183 Cb 1.68 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.11 2epk h GLN 183 CO -0.20 0.22 0.00 -0.85 -0.95 0.00 0.00 178.83 177.06 2epk n GLU 184 N -3.88 0.09 0.00 1.46 0.28 -0.03 -2.46 120.64 116.10 2epk n GLU 184 Ca -0.02 0.35 0.14 0.00 -0.16 0.00 0.00 57.16 57.47 2epk n GLU 184 Cb 0.31 -1.68 0.47 0.00 1.43 0.00 0.00 31.44 31.98 2epk n GLU 184 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2epk n LEU 185 N -1.85 1.47 -4.87 -1.84 4.77 -0.61 -4.90 117.00 109.18 2epk n LEU 185 Ca 0.03 -0.48 -0.37 0.00 -0.03 0.00 0.00 56.01 55.16 2epk n LEU 185 Cb 0.18 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 2epk n LEU 185 CO 0.15 0.25 -0.18 -0.13 -1.33 0.00 0.00 177.39 176.15 2epk s ARG 186 N -2.10 3.40 -0.01 3.23 0.52 -1.03 -0.67 118.95 122.28 2epk s ARG 186 Ca 0.35 -0.17 -0.01 0.00 -0.52 0.00 0.00 55.73 55.38 2epk s ARG 186 Cb 0.21 -3.15 -0.00 0.00 0.52 0.00 0.00 34.95 32.52 2epk s ARG 186 CO 0.37 0.76 -0.02 -3.47 0.02 0.00 0.00 175.30 172.97 2epk n ASP 187 N 1.90 0.17 -3.51 0.23 4.64 0.50 -4.46 116.55 116.02 2epk n ASP 187 Ca -0.19 0.27 -0.12 0.00 -1.38 0.00 0.00 54.79 53.37 2epk n ASP 187 Cb 0.55 -0.53 -0.04 0.00 -1.04 0.00 0.00 41.12 40.05 2epk n ASP 187 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2epk s VAL 188 N -1.12 0.00 0.00 5.18 0.11 -1.21 -1.04 120.40 122.32 2epk s VAL 188 Ca -0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2epk s VAL 188 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2epk s VAL 188 CO 0.02 0.00 0.00 -0.62 -3.33 0.00 0.00 175.10 171.17 2epk n GLU 189 N 0.28 0.00 -0.50 1.54 1.02 -1.26 -1.14 120.64 120.59 2epk n GLU 189 Ca -0.13 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.10 2epk n GLU 189 Cb 0.60 0.00 0.32 0.00 -0.02 0.00 0.00 31.44 32.34 2epk n GLU 189 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2epk n ASP 190 N 4.35 4.15 -4.57 1.62 5.75 -1.26 -4.93 116.55 121.66 2epk n ASP 190 Ca 0.00 -2.28 -0.34 0.00 -0.01 0.00 0.00 54.79 52.16 2epk n ASP 190 Cb 0.00 -0.52 -0.11 0.00 -1.03 0.00 0.00 41.12 39.46 2epk n ASP 190 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2epk s ILE 191 N -1.60 4.14 0.64 2.12 1.01 -0.29 -2.48 121.20 124.74 2epk s ILE 191 Ca 0.46 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 2epk s ILE 191 Cb 0.28 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 2epk s ILE 191 CO 0.25 0.52 1.05 -0.76 0.00 0.00 0.00 174.94 176.00 2epk s LEU 192 N -0.04 3.28 -0.48 2.97 1.43 0.10 -0.37 118.68 125.57 2epk s LEU 192 Ca 0.03 1.63 -0.25 0.00 -1.03 0.00 0.00 54.13 54.51 2epk s LEU 192 Cb -0.13 -4.50 0.03 0.00 0.03 0.00 0.00 46.19 41.62 2epk s LEU 192 CO 0.02 -1.23 0.94 -0.22 0.23 0.00 0.00 176.35 176.09 2epk s LEU 193 N -5.12 4.00 0.32 1.79 2.96 0.15 -4.17 118.68 118.61 2epk s LEU 193 Ca 0.59 0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 54.25 2epk s LEU 193 Cb -0.14 -3.14 -0.11 0.00 0.50 0.00 0.00 46.19 43.31 2epk s LEU 193 CO 0.48 -1.09 1.45 -0.63 -1.32 0.00 0.00 176.35 175.24 2epk s ILE 194 N 3.83 2.36 0.00 6.68 1.01 -1.26 -2.93 121.20 130.89 2epk s ILE 194 Ca 0.36 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.35 2epk s ILE 194 Cb -0.10 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2epk s ILE 194 CO 0.25 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2epk n GLY 195 N 1.29 1.30 3.65 6.18 0.00 -1.26 -5.00 105.19 111.36 2epk n GLY 195 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2epk n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2epk s GLU 196 N -0.38 4.18 0.40 1.61 2.56 -1.15 -4.96 118.70 120.96 2epk s GLU 196 Ca 0.00 0.57 0.11 0.00 0.00 0.00 0.00 54.97 55.65 2epk s GLU 196 Cb 0.00 -3.59 0.82 0.00 2.00 0.00 0.00 34.13 33.36 2epk s GLU 196 CO 0.00 -0.27 1.91 0.93 -0.56 0.00 0.00 175.26 177.28 2epk h GLU 197 N 7.58 0.14 0.00 4.30 4.39 -1.95 -0.22 114.58 128.81 2epk h GLU 197 Ca -0.31 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 2epk h GLU 197 Cb 1.14 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2epk h GLU 197 CO 0.77 0.33 -0.21 0.87 -1.16 0.00 0.00 179.01 179.61 2epk h LYS 198 N 0.13 0.00 -0.27 2.33 1.79 -1.95 -0.32 116.57 118.29 2epk h LYS 198 Ca 0.02 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 2epk h LYS 198 Cb 0.42 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2epk h LYS 198 CO 0.03 0.21 -0.28 0.28 -1.08 0.00 0.00 179.45 178.61 2epk h VAL 199 N 0.00 1.31 0.00 0.50 2.07 -1.35 -1.56 116.25 117.21 2epk h VAL 199 Ca -0.00 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 2epk h VAL 199 Cb 0.46 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2epk h VAL 199 CO 0.03 0.46 -0.22 1.88 0.02 0.00 0.00 177.57 179.74 2epk h TYR 200 N 0.40 0.00 -0.26 1.57 0.05 -0.98 -0.97 116.97 116.77 2epk h TYR 200 Ca 0.04 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 2epk h TYR 200 Cb 0.84 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 2epk h TYR 200 CO 0.07 0.22 -0.01 -0.44 -1.05 0.00 0.00 178.16 176.95 2epk h ASP 201 N 0.00 0.46 -0.20 3.88 3.32 -0.95 -1.52 116.42 121.41 2epk h ASP 201 Ca -0.00 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 56.77 2epk h ASP 201 Cb 0.67 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 2epk h ASP 201 CO 0.03 0.66 -0.01 0.25 -1.72 0.00 0.00 179.24 178.45 2epk h LEU 202 N 0.24 -0.10 -0.67 1.55 5.85 -0.84 -1.43 115.31 119.91 2epk h LEU 202 Ca 0.07 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2epk h LEU 202 Cb 0.43 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2epk h LEU 202 CO 0.01 -0.02 0.19 0.40 -0.34 0.00 0.00 178.44 178.68 2epk h ILE 203 N 0.05 1.26 -0.35 4.05 2.04 -1.15 -0.84 117.51 122.57 2epk h ILE 203 Ca 0.09 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2epk h ILE 203 Cb 0.12 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2epk h ILE 203 CO -0.17 0.35 0.14 -0.08 0.00 0.00 0.00 178.15 178.39 2epk h GLU 204 N 1.00 0.48 -1.64 2.37 4.81 -1.12 -2.52 114.58 117.97 2epk h GLU 204 Ca 0.21 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2epk h GLU 204 Cb 0.33 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2epk h GLU 204 CO -0.00 0.41 0.00 0.41 -0.73 0.00 0.00 179.01 179.09 2epk n GLY 205 N -1.23 0.23 0.00 1.92 0.00 -0.32 -1.19 105.19 104.60 2epk n GLY 205 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2epk n GLY 205 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2epk n PHE 207 N 0.87 0.00 0.06 1.61 3.01 -0.95 -1.85 117.46 120.21 2epk n PHE 207 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 2epk n PHE 207 Cb 0.06 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.72 2epk n PHE 207 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2epk h GLN 208 N 0.00 0.35 -0.43 -1.08 4.20 -1.44 0.19 115.11 116.91 2epk h GLN 208 Ca 0.00 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2epk h GLN 208 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2epk h GLN 208 CO 0.00 0.68 0.00 2.41 -0.67 0.00 0.00 178.83 181.25 2epk n THR 209 N -4.05 0.03 0.00 -0.54 -1.04 -0.77 -3.80 114.28 104.11 2epk n THR 209 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2epk n THR 209 Cb 0.47 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 2epk n THR 209 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2epk n ALA 211 N 0.41 0.00 0.66 2.41 0.00 0.67 -4.37 120.51 120.29 2epk n ALA 211 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2epk n ALA 211 Cb 0.08 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.90 2epk n ALA 211 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2epk n HIS 212 N 0.00 0.00 -2.91 0.00 8.25 -1.25 -4.77 115.22 114.55 2epk n HIS 212 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2epk n HIS 212 Cb 0.00 -0.36 0.02 0.00 1.12 0.00 0.00 29.99 30.76 2epk n HIS 212 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2epk s LEU 213 N -2.72 3.58 0.11 2.41 1.43 -1.26 -4.96 118.68 117.27 2epk s LEU 213 Ca 0.12 0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2epk s LEU 213 Cb 0.10 -3.14 -0.15 0.00 0.03 0.00 0.00 46.19 43.03 2epk s LEU 213 CO 0.25 -0.78 1.25 0.45 0.23 0.00 0.00 176.35 177.75 2epk h HIS 214 N 0.33 0.61 -3.98 0.29 3.86 -1.98 -3.46 115.15 110.82 2epk h HIS 214 Ca -0.45 -0.36 -0.54 0.00 -1.16 0.00 0.00 60.37 57.86 2epk h HIS 214 Cb 1.26 -0.06 0.10 0.00 1.06 0.00 0.00 27.41 29.78 2epk h HIS 214 CO 0.44 1.21 0.65 -0.08 0.86 0.00 0.00 177.93 181.01 2epk s THR 215 N -3.10 2.32 -0.16 2.45 -1.32 -1.26 -4.92 115.64 109.65 2epk s THR 215 Ca -0.06 0.28 0.14 0.00 -1.21 0.00 0.00 61.69 60.85 2epk s THR 215 Cb 0.08 -3.16 0.42 0.00 -1.51 0.00 0.00 72.50 68.33 2epk s THR 215 CO 0.88 0.03 1.21 0.54 -2.21 0.00 0.00 174.62 175.07 2epk n ARG 216 N -0.16 1.24 -5.12 7.08 5.12 -1.26 -4.92 116.66 118.63 2epk n ARG 216 Ca 0.05 -3.02 -0.32 0.00 -1.93 0.00 0.00 57.85 52.63 2epk n ARG 216 Cb 0.43 -1.26 -0.16 0.00 -1.16 0.00 0.00 32.46 30.31 2epk n ARG 216 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2epk s LYS 217 N -2.52 3.03 -0.07 5.56 2.20 -1.26 -0.44 119.74 126.24 2epk s LYS 217 Ca 0.37 -0.84 -0.08 0.00 -0.36 0.00 0.00 55.97 55.06 2epk s LYS 217 Cb 0.37 -2.35 0.02 0.00 -1.51 0.00 0.00 37.83 34.36 2epk s LYS 217 CO -0.09 0.23 0.22 -1.50 -0.36 0.00 0.00 175.35 173.86 2epk s ILE 218 N 0.23 0.01 -0.30 5.43 2.07 -0.91 -4.21 121.20 123.52 2epk s ILE 218 Ca -0.14 -0.09 -0.13 0.00 -1.41 0.00 0.00 60.65 58.88 2epk s ILE 218 Cb -0.17 -0.35 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 2epk s ILE 218 CO 0.07 -0.05 0.28 0.21 -1.91 0.00 0.00 174.94 173.54 2epk s ASN 219 N -0.09 6.11 0.00 4.50 3.84 -0.28 -0.79 114.94 128.23 2epk s ASN 219 Ca -0.02 -0.07 0.22 0.00 0.21 0.00 0.00 52.86 53.20 2epk s ASN 219 Cb -0.02 -2.16 0.51 0.00 -0.55 0.00 0.00 41.25 39.02 2epk s ASN 219 CO 0.01 -0.18 1.44 2.30 -2.79 0.00 0.00 177.10 177.88 2epk n ILE 220 N 5.12 0.52 -2.77 -5.21 -5.35 -0.50 -0.64 119.36 110.53 2epk n ILE 220 Ca -0.11 -0.70 0.02 0.00 -0.27 0.00 0.00 62.75 61.68 2epk n ILE 220 Cb 0.51 0.77 -0.00 0.00 -1.74 0.00 0.00 39.64 39.18 2epk n ILE 220 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2epk n GLY 221 N 1.45 -1.98 3.60 3.28 0.00 -1.18 -2.75 105.19 107.62 2epk n GLY 221 Ca 0.19 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.81 2epk n GLY 221 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2epk s ASP 223 N -3.68 -0.13 -0.45 1.61 3.84 -1.26 -2.26 116.67 114.34 2epk s ASP 223 Ca 0.00 -0.06 -0.16 0.00 -0.00 0.00 0.00 52.55 52.33 2epk s ASP 223 Cb 0.00 0.18 0.05 0.00 -1.38 0.00 0.00 42.92 41.77 2epk s ASP 223 CO 0.00 -0.31 0.39 -1.83 -0.00 0.00 0.00 175.17 173.42 2epk s GLU 224 N -2.50 3.00 0.36 2.11 -1.05 -1.26 -4.89 118.70 114.47 2epk s GLU 224 Ca 0.11 -1.14 -0.22 0.00 -0.15 0.00 0.00 54.97 53.57 2epk s GLU 224 Cb 0.01 -4.06 -0.10 0.00 -0.44 0.00 0.00 34.13 29.54 2epk s GLU 224 CO -0.04 -0.93 0.91 0.00 0.95 0.00 0.00 175.26 176.15 2epk s ALA 225 N 1.79 3.16 0.25 -0.84 0.00 -1.26 -4.98 121.76 119.88 2epk s ALA 225 Ca 0.06 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.43 2epk s ALA 225 Cb -0.21 -3.11 0.30 0.00 0.00 0.00 0.00 23.12 20.10 2epk s ALA 225 CO 0.09 0.18 1.65 0.45 0.00 0.00 0.00 175.76 178.13 2epk h HIS 226 N 2.54 0.59 -0.36 0.00 -0.00 -2.03 -2.83 115.15 113.05 2epk h HIS 226 Ca -0.48 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 59.74 2epk h HIS 226 Cb 1.18 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 2epk h HIS 226 CO 0.62 0.79 0.00 1.28 -0.00 0.00 0.00 177.93 180.62 2epk n LEU 227 N -4.06 2.36 -4.68 2.43 4.77 -1.26 -4.93 117.00 111.64 2epk n LEU 227 Ca -0.01 -1.10 -0.47 0.00 -0.03 0.00 0.00 56.01 54.39 2epk n LEU 227 Cb 0.47 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 2epk n LEU 227 CO 0.44 0.55 1.37 0.52 -1.33 0.00 0.00 177.39 178.94 2epk n VAL 228 N 0.78 0.34 -0.73 4.08 0.31 -1.07 -0.63 118.33 121.42 2epk n VAL 228 Ca 0.16 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2epk n VAL 228 Cb 0.40 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 2epk n VAL 228 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2epk n GLY 229 N 3.99 0.85 0.81 2.92 0.00 -1.26 -4.81 105.19 107.69 2epk n GLY 229 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 2epk n GLY 229 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2epk n LEU 230 N 0.00 3.02 0.00 0.99 4.77 0.20 -2.78 117.00 123.20 2epk n LEU 230 Ca 0.00 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.25 2epk n LEU 230 Cb 0.00 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2epk n LEU 230 CO 0.00 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2epk n GLY 231 N 0.90 0.99 0.28 -0.72 0.00 -1.26 -4.67 105.19 100.70 2epk n GLY 231 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2epk n GLY 231 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2epk h ARG 232 N 0.00 0.00 -0.15 1.61 3.08 -1.34 -2.07 114.38 115.51 2epk h ARG 232 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2epk h ARG 232 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2epk h ARG 232 CO 0.00 0.08 0.09 -0.92 -1.07 0.00 0.00 179.97 178.15 2epk h TYR 233 N 0.00 0.20 -0.71 3.04 3.20 -1.81 -1.26 116.97 119.63 2epk h TYR 233 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2epk h TYR 233 Cb 0.21 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 2epk h TYR 233 CO 0.00 0.17 0.46 1.25 -1.64 0.00 0.00 178.16 178.40 2epk h LEU 234 N 0.17 0.79 -1.25 2.82 6.46 -1.20 0.11 115.31 123.21 2epk h LEU 234 Ca 0.05 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.74 2epk h LEU 234 Cb 0.02 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 2epk h LEU 234 CO -0.01 0.57 -0.09 0.40 -0.62 0.00 0.00 178.44 178.69 2epk h ILE 235 N 0.93 1.20 0.04 4.05 2.04 -1.32 0.92 117.51 125.37 2epk h ILE 235 Ca 0.26 -0.86 -0.26 0.00 1.00 0.00 0.00 64.86 65.01 2epk h ILE 235 Cb -0.08 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2epk h ILE 235 CO -0.07 0.28 -1.35 0.11 0.00 0.00 0.00 178.15 177.12 2epk h LYS 236 N 0.38 0.08 0.00 2.37 1.57 -0.42 -3.42 116.57 117.13 2epk h LYS 236 Ca 0.08 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2epk h LYS 236 Cb 0.40 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2epk h LYS 236 CO 0.02 0.90 0.00 0.72 -0.57 0.00 0.00 179.45 180.52 2epk n HIS 237 N -3.30 0.00 -0.64 -1.35 8.25 0.30 -5.09 115.22 113.39 2epk n HIS 237 Ca -0.09 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.45 2epk n HIS 237 Cb 1.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.08 2epk n HIS 237 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2epk n GLY 238 N 0.09 -2.13 3.76 -1.41 0.00 0.31 -4.87 105.19 100.93 2epk n GLY 238 Ca 0.00 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2epk n GLY 238 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2epk s PHE 239 N -2.38 3.10 0.06 1.61 5.36 -1.26 -4.56 117.98 119.91 2epk s PHE 239 Ca 0.00 1.30 0.03 0.00 -0.96 0.00 0.00 56.93 57.30 2epk s PHE 239 Cb 0.00 -3.69 -0.03 0.00 -0.34 0.00 0.00 43.02 38.97 2epk s PHE 239 CO 0.00 -2.01 -0.10 -0.65 -1.46 0.00 0.00 175.22 171.00 2epk s GLN 240 N -1.14 0.66 0.18 10.12 -1.52 -1.26 -5.12 119.66 121.58 2epk s GLN 240 Ca 0.53 -0.88 -0.32 0.00 -1.95 0.00 0.00 55.36 52.74 2epk s GLN 240 Cb -0.39 -0.49 -0.11 0.00 -0.22 0.00 0.00 33.01 31.79 2epk s GLN 240 CO 0.48 0.10 1.67 1.21 -0.25 0.00 0.00 175.29 178.49 2epk s ASN 241 N -1.75 6.46 0.18 5.90 3.84 -1.26 -4.91 114.94 123.40 2epk s ASN 241 Ca -0.05 2.76 -0.13 0.00 0.21 0.00 0.00 52.86 55.64 2epk s ASN 241 Cb -0.09 -2.59 0.14 0.00 -0.55 0.00 0.00 41.25 38.16 2epk s ASN 241 CO 0.01 -0.92 1.77 -0.09 -2.79 0.00 0.00 177.10 175.08 2epk h ARG 242 N 6.97 0.41 -0.75 0.43 2.43 -2.00 -2.51 114.38 119.35 2epk h ARG 242 Ca -0.43 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 58.77 2epk h ARG 242 Cb 1.20 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 2epk h ARG 242 CO 0.94 0.27 0.49 0.77 -1.51 0.00 0.00 179.97 180.94 2epk h SER 243 N 0.42 0.73 -0.39 -3.80 0.02 -1.97 -1.85 113.55 106.71 2epk h SER 243 Ca 0.22 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 2epk h SER 243 Cb 0.18 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2epk h SER 243 CO -0.19 0.48 -0.08 0.25 -1.14 0.00 0.00 176.83 176.15 2epk h LEU 244 N 0.83 0.75 -1.63 5.07 7.12 -1.85 -1.07 115.31 124.53 2epk h LEU 244 Ca 0.32 -0.35 0.00 0.00 0.13 0.00 0.00 57.88 57.97 2epk h LEU 244 Cb 0.18 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2epk h LEU 244 CO -0.10 0.93 0.00 0.18 -0.13 0.00 0.00 178.44 179.32 2epk n LEU 245 N -4.36 0.38 0.00 2.25 4.77 -0.70 -1.23 117.00 118.10 2epk n LEU 245 Ca -0.01 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2epk n LEU 245 Cb 0.35 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2epk n LEU 245 CO 0.42 0.07 0.00 0.00 -1.33 0.00 0.00 177.39 176.55 2epk h GLN 248 N 0.00 0.12 -0.15 0.00 4.20 -1.44 -1.29 115.11 116.55 2epk h GLN 248 Ca 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2epk h GLN 248 Cb 0.00 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2epk h GLN 248 CO 0.00 0.08 0.07 1.25 -0.67 0.00 0.00 178.83 179.56 2epk h HIS 249 N 0.13 0.22 -1.00 2.96 2.76 -1.32 -2.60 115.15 116.30 2epk h HIS 249 Ca 0.06 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 2epk h HIS 249 Cb 0.02 -0.07 -0.06 0.00 1.55 0.00 0.00 27.41 28.85 2epk h HIS 249 CO -0.10 0.28 0.65 1.25 -1.30 0.00 0.00 177.93 178.71 2epk h LEU 250 N 0.11 1.05 -0.64 0.26 5.85 -1.77 -1.20 115.31 118.98 2epk h LEU 250 Ca 0.05 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2epk h LEU 250 Cb 0.14 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2epk h LEU 250 CO -0.01 0.69 0.26 -0.08 -0.34 0.00 0.00 178.44 178.96 2epk h GLU 251 N 1.20 0.95 -0.83 1.25 4.81 -1.07 0.59 114.58 121.48 2epk h GLU 251 Ca 0.42 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2epk h GLU 251 Cb 0.11 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 2epk h GLU 251 CO -0.16 0.79 0.40 0.00 -0.73 0.00 0.00 179.01 179.32 2epk h ARG 252 N 0.89 1.19 -0.19 1.92 2.47 -1.02 -0.83 114.38 118.81 2epk h ARG 252 Ca 0.21 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 2epk h ARG 252 Cb 0.19 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2epk h ARG 252 CO -0.02 0.91 -0.07 0.28 0.56 0.00 0.00 179.97 181.64 2epk h VAL 253 N 1.17 1.30 -0.19 2.04 2.07 -0.81 -2.22 116.25 119.61 2epk h VAL 253 Ca 0.29 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 2epk h VAL 253 Cb 0.11 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2epk h VAL 253 CO -0.04 0.32 -0.09 -0.07 0.02 0.00 0.00 177.57 177.72 2epk h LEU 254 N 0.07 0.28 -0.54 2.57 3.38 -0.81 0.13 115.31 120.39 2epk h LEU 254 Ca 0.04 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2epk h LEU 254 Cb 0.53 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2epk h LEU 254 CO 0.02 0.41 0.13 0.44 0.09 0.00 0.00 178.44 179.54 2epk h ASP 255 N 0.29 0.82 -0.29 -0.43 3.32 -0.97 0.11 116.42 119.27 2epk h ASP 255 Ca 0.06 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 2epk h ASP 255 Cb 0.35 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2epk h ASP 255 CO 0.02 0.84 0.11 0.40 -1.72 0.00 0.00 179.24 178.89 2epk h ILE 256 N 0.76 1.18 -0.68 0.35 2.04 -0.97 -1.83 117.51 118.35 2epk h ILE 256 Ca 0.17 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.52 2epk h ILE 256 Cb 0.34 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2epk h ILE 256 CO 0.00 0.19 0.42 0.00 0.00 0.00 0.00 178.15 178.75 2epk h ALA 257 N 0.96 0.90 -0.70 1.87 0.00 -0.82 -2.23 119.26 119.24 2epk h ALA 257 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2epk h ALA 257 Cb 0.19 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2epk h ALA 257 CO -0.01 0.16 0.44 -0.44 0.00 0.00 0.00 179.25 179.40 2epk h ASP 258 N 0.80 0.73 -0.78 0.00 3.32 -0.57 -0.80 116.42 119.13 2epk h ASP 258 Ca 0.28 -0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.44 2epk h ASP 258 Cb 0.07 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 2epk h ASP 258 CO -0.13 0.51 0.51 0.50 -1.72 0.00 0.00 179.24 178.92 2epk h LYS 259 N 0.87 0.64 -0.32 3.56 3.64 -0.72 -1.59 116.57 122.66 2epk h LYS 259 Ca 0.28 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2epk h LYS 259 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2epk h LYS 259 CO -0.10 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.16 2epk n TYR 260 N -4.51 0.40 -0.89 1.91 4.01 -0.89 -4.96 117.16 112.24 2epk n TYR 260 Ca 0.14 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2epk n TYR 260 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 2epk n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2epk n GLY 261 N 1.44 0.47 3.84 2.72 0.00 -0.60 -4.98 105.19 108.09 2epk n GLY 261 Ca 0.18 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 2epk n GLY 261 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2epk s PHE 262 N -2.00 3.57 -0.16 1.61 0.40 -0.41 -4.85 117.98 116.15 2epk s PHE 262 Ca 0.00 1.13 -0.06 0.00 -0.60 0.00 0.00 56.93 57.40 2epk s PHE 262 Cb 0.00 -2.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 2epk s PHE 262 CO 0.00 0.36 0.04 -0.80 0.70 0.00 0.00 175.22 175.52 2epk s ASN 263 N -1.83 5.47 -0.10 1.36 -0.87 0.42 -4.33 114.94 115.06 2epk s ASN 263 Ca 0.42 0.07 -0.01 0.00 -1.57 0.00 0.00 52.86 51.77 2epk s ASN 263 Cb -0.14 -1.88 -0.03 0.00 -0.02 0.00 0.00 41.25 39.18 2epk s ASN 263 CO 0.20 0.21 -0.03 0.00 -2.57 0.00 0.00 177.10 174.91 2epk s GLN 265 N -0.58 2.41 0.16 0.00 -0.21 0.03 -1.66 119.66 119.80 2epk s GLN 265 Ca 0.09 -1.69 -0.11 0.00 0.02 0.00 0.00 55.36 53.67 2epk s GLN 265 Cb -0.12 -2.40 -0.07 0.00 1.00 0.00 0.00 33.01 31.42 2epk s GLN 265 CO 0.02 -0.53 0.50 -1.58 -2.12 0.00 0.00 175.29 171.58 2epk s TRP 267 N -2.61 3.53 -0.82 0.91 0.52 -0.96 -1.40 118.94 118.10 2epk s TRP 267 Ca 0.48 0.90 0.27 0.00 0.02 0.00 0.00 56.10 57.77 2epk s TRP 267 Cb -0.04 -2.26 0.92 0.00 -1.15 0.00 0.00 33.47 30.93 2epk s TRP 267 CO 0.29 0.40 1.79 -1.13 0.02 0.00 0.00 176.95 178.32 2epk n SER 268 N 0.48 0.53 -1.76 2.95 3.41 -0.74 -4.68 113.62 113.82 2epk n SER 268 Ca -0.04 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2epk n SER 268 Cb 0.52 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2epk n SER 268 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2epk n ASP 269 N -1.98 0.00 0.00 4.04 9.92 -1.26 -3.63 116.55 123.64 2epk n ASP 269 Ca 0.06 -0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 2epk n ASP 269 Cb 0.40 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 2epk n ASP 269 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2epk n PHE 271 N 0.83 0.00 -0.34 1.24 3.72 -1.26 -4.61 117.46 117.04 2epk n PHE 271 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 2epk n PHE 271 Cb 0.00 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 38.82 2epk n PHE 271 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 2epk h PHE 272 N 0.00 1.00 -0.36 1.38 0.05 -2.00 -0.22 116.94 116.79 2epk h PHE 272 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.83 2epk h PHE 272 Cb 0.00 -0.30 -0.02 0.00 2.00 0.00 0.00 35.95 37.63 2epk h PHE 272 CO 0.00 0.25 0.23 0.87 -0.18 0.00 0.00 178.31 179.49 2epk h LYS 273 N 0.76 0.47 -5.66 1.51 1.57 -1.94 -3.52 116.57 109.75 2epk h LYS 273 Ca 0.53 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.99 2epk h LYS 273 Cb 0.77 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2epk h LYS 273 CO -0.36 0.31 0.84 -0.51 -0.57 0.00 0.00 179.45 179.16 2epk s LEU 274 N -9.44 3.15 0.05 2.94 1.43 -0.10 -5.20 118.68 111.52 2epk s LEU 274 Ca -0.08 0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2epk s LEU 274 Cb 0.17 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 2epk s LEU 274 CO 0.72 -2.98 -0.03 -2.65 0.23 0.00 0.00 176.35 171.64 2epk n PRO 288 N 8.95 0.00 -0.31 1.29 -0.02 -1.26 -4.94 135.00 138.71 2epk n PRO 288 Ca 0.37 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.95 2epk n PRO 288 Cb 0.48 -0.07 0.27 0.00 -0.02 0.00 0.00 33.50 34.16 2epk n PRO 288 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2epk h GLU 289 N -0.03 0.55 0.00 -0.52 4.22 -2.06 -1.35 114.58 115.39 2epk h GLU 289 Ca -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2epk h GLU 289 Cb 0.09 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2epk h GLU 289 CO 0.02 0.37 -0.50 0.39 -2.18 0.00 0.00 179.01 177.11 2epk n GLU 290 N -4.91 0.21 0.10 1.92 1.02 -1.26 -2.60 120.64 115.12 2epk n GLU 290 Ca 0.20 0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 57.24 2epk n GLU 290 Cb 0.53 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 30.16 2epk n GLU 290 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2epk h THR 291 N 0.00 1.43 -0.70 2.62 1.03 -1.71 -2.53 112.91 113.06 2epk h THR 291 Ca 0.00 -3.00 -0.01 0.00 -0.01 0.00 0.00 66.41 63.39 2epk h THR 291 Cb 0.68 2.93 -0.03 0.00 -1.07 0.00 0.00 68.15 70.65 2epk h THR 291 CO 0.00 0.88 0.41 -0.09 -0.01 0.00 0.00 175.52 176.70 2epk h ARG 292 N 0.08 0.95 -0.74 0.00 2.43 -1.37 -0.81 114.38 114.92 2epk h ARG 292 Ca -0.16 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 2epk h ARG 292 Cb 2.00 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 31.32 2epk h ARG 292 CO 0.20 0.69 0.22 0.28 -1.51 0.00 0.00 179.97 179.85 2epk h VAL 293 N 0.95 1.26 0.40 0.20 2.07 -1.57 -1.54 116.25 118.02 2epk h VAL 293 Ca 0.25 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2epk h VAL 293 Cb -0.01 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2epk h VAL 293 CO -0.04 0.36 -0.31 0.22 0.02 0.00 0.00 177.57 177.82 2epk h TYR 294 N 1.11 -0.84 -0.59 1.57 -0.00 -1.03 -2.37 116.97 114.81 2epk h TYR 294 Ca 0.24 -0.00 0.08 0.00 -0.00 0.00 0.00 58.73 59.04 2epk h TYR 294 Cb 0.32 0.31 -0.06 0.00 -0.00 0.00 0.00 36.73 37.30 2epk h TYR 294 CO 0.03 -0.46 0.25 -0.07 -0.00 0.00 0.00 178.16 177.91 2epk h LEU 295 N -0.71 0.31 -1.42 2.82 3.38 -0.99 -1.68 115.31 117.02 2epk h LEU 295 Ca -0.03 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2epk h LEU 295 Cb 0.62 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2epk h LEU 295 CO -0.01 0.19 0.39 0.44 0.09 0.00 0.00 178.44 179.55 2epk h ASP 296 N 0.47 0.68 0.66 -0.43 3.45 -1.13 -0.24 116.42 119.87 2epk h ASP 296 Ca 0.29 -0.02 -0.26 0.00 0.43 0.00 0.00 57.03 57.47 2epk h ASP 296 Cb 0.30 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.90 2epk h ASP 296 CO -0.25 0.49 -1.16 0.08 -1.57 0.00 0.00 179.24 176.82 2epk h ARG 297 N 0.80 0.24 -0.27 3.56 0.11 -0.87 -3.32 114.38 114.64 2epk h ARG 297 Ca 0.22 -0.38 -0.14 0.00 0.10 0.00 0.00 59.98 59.78 2epk h ARG 297 Cb -0.08 0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 2epk h ARG 297 CO -0.05 1.16 -0.41 -0.07 0.10 0.00 0.00 179.97 180.70 2epk h LEU 298 N 0.08 0.69 -2.03 0.08 3.38 -0.96 -3.09 115.31 113.45 2epk h LEU 298 Ca -0.11 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.58 2epk h LEU 298 Cb 1.88 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 2epk h LEU 298 CO 0.19 1.02 0.08 0.07 0.09 0.00 0.00 178.44 179.88 2epk h LYS 299 N 0.53 0.00 0.00 1.13 2.10 -1.14 -0.98 116.57 118.20 2epk h LYS 299 Ca 0.04 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2epk h LYS 299 Cb 0.94 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2epk h LYS 299 CO 0.08 0.00 -0.02 0.93 -2.00 0.00 0.00 179.45 178.44 2epk h GLU 300 N 0.00 0.00 -0.02 0.07 4.39 -1.64 -3.21 114.58 114.16 2epk h GLU 300 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2epk h GLU 300 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2epk h GLU 300 CO -0.00 0.02 -0.14 0.54 -1.16 0.00 0.00 179.01 178.28 2epk n ARG 301 N -3.15 1.89 -4.19 2.33 1.74 -0.37 -4.96 116.66 109.95 2epk n ARG 301 Ca -0.01 -1.51 -0.12 0.00 -0.77 0.00 0.00 57.85 55.44 2epk n ARG 301 Cb 0.24 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.11 2epk n ARG 301 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2epk s VAL 302 N -2.15 0.86 -0.16 1.55 -7.23 -1.21 -4.56 120.40 107.49 2epk s VAL 302 Ca 0.27 -1.86 -0.16 0.00 -1.81 0.00 0.00 61.98 58.42 2epk s VAL 302 Cb 0.20 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 2epk s VAL 302 CO 0.39 -0.75 0.37 -0.89 -0.31 0.00 0.00 175.10 173.91 2epk s THR 303 N -3.18 5.24 -0.08 5.32 2.01 -0.67 -4.97 115.64 119.32 2epk s THR 303 Ca 0.11 0.70 -0.12 0.00 0.31 0.00 0.00 61.69 62.69 2epk s THR 303 Cb 0.02 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 2epk s THR 303 CO -0.02 0.33 0.30 -0.76 -0.69 0.00 0.00 174.62 173.78 2epk s LEU 304 N 0.76 4.39 -0.26 4.42 1.43 -1.05 -4.30 118.68 124.07 2epk s LEU 304 Ca 0.20 0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 53.96 2epk s LEU 304 Cb -0.14 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.71 2epk s LEU 304 CO 0.07 0.29 -0.01 -0.69 0.23 0.00 0.00 176.35 176.24 2epk s VAL 305 N -0.67 3.36 -0.35 -1.59 1.01 -1.26 -1.05 120.40 119.85 2epk s VAL 305 Ca 0.19 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 2epk s VAL 305 Cb -0.14 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2epk s VAL 305 CO 0.08 0.19 0.93 -0.47 0.00 0.00 0.00 175.10 175.84 2epk s TYR 306 N 1.41 3.11 -0.16 5.22 5.04 0.01 -1.78 117.35 130.21 2epk s TYR 306 Ca 0.02 0.86 -0.05 0.00 -2.44 0.00 0.00 57.07 55.47 2epk s TYR 306 Cb -0.16 -3.58 -0.03 0.00 0.35 0.00 0.00 41.96 38.53 2epk s TYR 306 CO -0.02 -0.77 -0.01 1.67 -1.34 0.00 0.00 175.55 175.09 2epk s TRP 307 N 3.42 3.10 -0.24 4.97 1.48 -1.26 -0.93 118.94 129.49 2epk s TRP 307 Ca 0.39 -0.17 -0.09 0.00 -1.06 0.00 0.00 56.10 55.17 2epk s TRP 307 Cb -0.12 -1.99 0.10 0.00 -1.16 0.00 0.00 33.47 30.30 2epk s TRP 307 CO 0.17 0.04 0.52 0.34 -4.06 0.00 0.00 176.95 173.96 2epk s ASP 308 N 0.32 -0.63 0.00 -2.66 -1.08 -0.71 -4.98 116.67 106.93 2epk s ASP 308 Ca -0.02 1.22 0.06 0.00 -0.52 0.00 0.00 52.55 53.30 2epk s ASP 308 Cb -0.14 1.64 0.05 0.00 -1.46 0.00 0.00 42.92 43.02 2epk s ASP 308 CO 0.02 -0.23 0.71 -1.22 0.52 0.00 0.00 175.17 174.98 2epk n TYR 309 N 5.26 0.02 0.00 -5.34 4.01 -1.26 -4.36 117.16 115.48 2epk n TYR 309 Ca -0.12 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2epk n TYR 309 Cb 0.50 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 2epk n TYR 309 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2epk n TYR 310 N 0.29 0.00 -2.73 -0.72 4.01 -1.26 -4.77 117.16 111.98 2epk n TYR 310 Ca 0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.37 2epk n TYR 310 Cb 0.16 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 2epk n TYR 310 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2epk s GLN 311 N -1.61 4.81 0.00 -0.72 -0.21 -1.26 -4.92 119.66 115.75 2epk s GLN 311 Ca 0.00 1.49 0.22 0.00 0.02 0.00 0.00 55.36 57.10 2epk s GLN 311 Cb 0.00 -3.30 0.57 0.00 1.00 0.00 0.00 33.01 31.28 2epk s GLN 311 CO 0.00 0.43 1.49 -0.40 -2.12 0.00 0.00 175.29 174.69 2epk n ASP 312 N 1.80 3.68 -3.79 5.90 3.85 -1.26 -4.70 116.55 122.03 2epk n ASP 312 Ca -0.01 -1.99 -0.13 0.00 -0.71 0.00 0.00 54.79 51.95 2epk n ASP 312 Cb 0.47 -0.40 -0.12 0.00 -1.35 0.00 0.00 41.12 39.73 2epk n ASP 312 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2epk s SER 313 N -1.16 -0.24 0.27 -1.12 1.04 -1.26 -4.96 113.70 106.27 2epk s SER 313 Ca 0.45 0.46 0.01 0.00 0.48 0.00 0.00 55.95 57.34 2epk s SER 313 Cb 0.24 0.48 0.59 0.00 0.10 0.00 0.00 66.02 67.43 2epk s SER 313 CO 0.32 -0.10 1.75 -0.08 0.98 0.00 0.00 173.24 176.12 2epk h GLU 314 N 5.70 0.58 -0.15 4.02 4.81 -1.92 -2.04 114.58 125.59 2epk h GLU 314 Ca -0.26 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 2epk h GLU 314 Cb 1.19 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2epk h GLU 314 CO 0.36 0.39 -0.16 1.05 -0.73 0.00 0.00 179.01 179.92 2epk h GLU 315 N 0.60 0.24 -0.51 1.92 9.09 -1.96 0.42 114.58 124.38 2epk h GLU 315 Ca 0.49 -0.06 -0.03 0.00 0.05 0.00 0.00 59.36 59.81 2epk h GLU 315 Cb 0.75 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.80 2epk h GLU 315 CO -0.39 0.40 0.18 0.87 0.05 0.00 0.00 179.01 180.12 2epk h LYS 316 N 0.23 0.77 -0.30 1.06 1.79 -1.80 -1.32 116.57 117.00 2epk h LYS 316 Ca 0.04 -0.15 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 2epk h LYS 316 Cb 0.42 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2epk h LYS 316 CO 0.03 0.70 0.05 1.88 -1.08 0.00 0.00 179.45 181.03 2epk h TYR 317 N 0.68 0.52 -0.70 -1.35 -1.99 -1.35 -3.01 116.97 109.76 2epk h TYR 317 Ca 0.17 -0.07 0.08 0.00 2.00 0.00 0.00 58.73 60.90 2epk h TYR 317 Cb 0.23 -0.14 -0.06 0.00 2.00 0.00 0.00 36.73 38.76 2epk h TYR 317 CO 0.01 0.57 0.37 -0.91 -0.00 0.00 0.00 178.16 178.20 2epk h ASN 318 N 0.31 0.52 -0.73 3.88 -0.26 -0.70 -0.15 115.58 118.45 2epk h ASN 318 Ca 0.09 0.05 0.05 0.00 -0.56 0.00 0.00 56.30 55.93 2epk h ASN 318 Cb 0.33 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.49 2epk h ASN 318 CO 0.00 0.31 0.43 -0.09 -1.06 0.00 0.00 177.43 177.03 2epk h ARG 319 N 0.65 0.79 -0.26 0.81 2.43 -1.20 0.05 114.38 117.65 2epk h ARG 319 Ca 0.33 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.26 2epk h ARG 319 Cb 0.29 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2epk h ARG 319 CO -0.23 0.52 -0.58 -0.91 -1.51 0.00 0.00 179.97 177.26 2epk h ASN 320 N 0.81 0.95 -0.67 -3.80 2.35 -1.24 -2.24 115.58 111.73 2epk h ASN 320 Ca 0.31 -0.52 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 2epk h ASN 320 Cb 0.14 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 2epk h ASN 320 CO -0.16 1.32 0.35 -0.26 -1.65 0.00 0.00 177.43 177.02 2epk h PHE 321 N 0.64 0.93 -0.45 1.19 0.04 -0.63 -0.84 116.94 117.81 2epk h PHE 321 Ca 0.00 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.77 2epk h PHE 321 Cb 1.19 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 39.01 2epk h PHE 321 CO 0.07 0.68 0.26 1.96 -0.60 0.00 0.00 178.31 180.68 2epk h GLN 322 N 0.91 0.50 -0.60 1.51 4.20 -0.96 0.58 115.11 121.26 2epk h GLN 322 Ca 0.23 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 2epk h GLN 322 Cb 0.07 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2epk h GLN 322 CO -0.03 0.33 0.08 -0.91 -0.67 0.00 0.00 178.83 177.63 2epk h ASN 323 N 0.52 0.95 -0.77 1.46 2.35 -1.08 -2.48 115.58 116.52 2epk h ASN 323 Ca 0.19 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 2epk h ASN 323 Cb 0.04 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2epk h ASN 323 CO -0.10 0.96 0.28 0.45 -1.65 0.00 0.00 177.43 177.37 2epk h HIS 324 N 0.93 1.21 0.00 1.19 3.86 -0.79 -2.88 115.15 118.67 2epk h HIS 324 Ca 0.18 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2epk h HIS 324 Cb 0.43 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2epk h HIS 324 CO 0.03 0.93 0.00 0.72 0.86 0.00 0.00 177.93 180.47 2epk n HIS 325 N -4.26 0.33 0.24 2.45 8.25 0.16 -1.59 115.22 120.80 2epk n HIS 325 Ca 0.07 0.12 0.09 0.00 -0.26 0.00 0.00 57.72 57.74 2epk n HIS 325 Cb 0.21 -0.70 0.60 0.00 1.12 0.00 0.00 29.99 31.22 2epk n HIS 325 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2epk h LYS 326 N 0.00 0.00 0.00 -0.41 1.57 -1.25 -3.32 116.57 113.16 2epk h LYS 326 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2epk h LYS 326 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2epk h LYS 326 CO 0.00 0.17 -1.47 0.44 -0.57 0.00 0.00 179.45 178.02 2epk n ILE 327 N -3.97 0.30 -3.63 1.86 -5.35 -0.62 -5.06 119.36 102.88 2epk n ILE 327 Ca -0.02 -0.27 -0.16 0.00 -0.27 0.00 0.00 62.75 62.03 2epk n ILE 327 Cb 0.25 -0.32 -0.07 0.00 -1.74 0.00 0.00 39.64 37.76 2epk n ILE 327 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2epk s SER 328 N -3.52 -0.45 0.02 7.28 0.15 -0.82 -5.01 113.70 111.35 2epk s SER 328 Ca -0.03 0.45 0.23 0.00 0.70 0.00 0.00 55.95 57.30 2epk s SER 328 Cb 0.04 0.46 0.10 0.00 -1.71 0.00 0.00 66.02 64.91 2epk s SER 328 CO 0.33 -0.52 1.09 0.00 1.20 0.00 0.00 173.24 175.34 2epk n GLN 329 N 1.15 0.15 -2.49 5.44 1.13 -1.26 -3.86 117.38 117.64 2epk n GLN 329 Ca -0.20 -0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.43 2epk n GLN 329 Cb 0.56 -1.55 0.01 0.00 0.11 0.00 0.00 30.24 29.38 2epk n GLN 329 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2epk n ASP 330 N -1.74 6.01 -4.21 1.08 2.03 -1.26 -4.94 116.55 113.53 2epk n ASP 330 Ca 0.03 -3.24 -0.34 0.00 0.52 0.00 0.00 54.79 51.76 2epk n ASP 330 Cb 0.39 -1.38 -0.15 0.00 -0.72 0.00 0.00 41.12 39.25 2epk n ASP 330 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2epk s ILE 331 N -1.03 2.71 0.42 5.18 1.09 -1.26 -2.52 121.20 125.79 2epk s ILE 331 Ca 0.39 -0.76 -0.01 0.00 -1.10 0.00 0.00 60.65 59.17 2epk s ILE 331 Cb 0.10 -2.22 -0.02 0.00 -1.06 0.00 0.00 42.46 39.26 2epk s ILE 331 CO 0.01 0.45 0.65 0.00 -0.10 0.00 0.00 174.94 175.96 2epk s ALA 332 N 1.37 3.63 -0.05 9.38 0.00 -0.21 -4.58 121.76 131.30 2epk s ALA 332 Ca 0.05 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.22 2epk s ALA 332 Cb -0.14 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 2epk s ALA 332 CO -0.08 -0.23 -0.24 0.12 0.00 0.00 0.00 175.76 175.33 2epk s PHE 333 N -2.51 2.43 -0.16 0.00 2.19 -0.61 -0.80 117.98 118.52 2epk s PHE 333 Ca 0.45 -0.59 0.01 0.00 0.33 0.00 0.00 56.93 57.13 2epk s PHE 333 Cb -0.10 -1.58 0.01 0.00 -1.31 0.00 0.00 43.02 40.05 2epk s PHE 333 CO 0.39 -0.13 -0.20 0.00 1.83 0.00 0.00 175.22 177.11 2epk s ALA 334 N -0.33 2.32 0.01 11.12 0.00 -0.10 -0.23 121.76 134.55 2epk s ALA 334 Ca 0.02 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2epk s ALA 334 Cb -0.12 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2epk s ALA 334 CO 0.02 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2epk n GLY 335 N 4.32 3.28 2.87 0.00 0.00 0.29 -1.74 105.19 114.20 2epk n GLY 335 Ca -0.20 -2.18 -0.18 0.00 0.00 0.00 0.00 46.02 43.46 2epk n GLY 335 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2epk s GLY 336 N -1.44 0.33 -0.50 -0.02 0.00 -1.26 -1.37 107.32 103.06 2epk s GLY 336 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 44.72 44.61 2epk s GLY 336 CO 0.00 0.41 0.42 0.00 0.00 0.00 0.00 173.10 173.93 2epk s ALA 337 N 0.80 3.53 -0.59 3.20 0.00 -0.24 -4.73 121.76 123.73 2epk s ALA 337 Ca -0.09 -2.45 -0.26 0.00 0.00 0.00 0.00 51.96 49.15 2epk s ALA 337 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 2epk s ALA 337 CO -0.01 -1.91 2.06 -1.58 0.00 0.00 0.00 175.76 174.32 2epk s TRP 338 N 1.52 1.46 -0.02 0.00 0.52 -1.26 -4.43 118.94 116.72 2epk s TRP 338 Ca 0.04 1.07 0.14 0.00 0.02 0.00 0.00 56.10 57.37 2epk s TRP 338 Cb -0.27 -3.91 0.25 0.00 -1.15 0.00 0.00 33.47 28.39 2epk s TRP 338 CO 0.02 -2.34 1.10 0.36 0.02 0.00 0.00 176.95 176.12 2epk n LYS 339 N 9.11 0.13 -0.69 4.98 2.85 -1.26 -0.76 118.16 132.52 2epk n LYS 339 Ca 0.27 -1.68 0.01 0.00 -1.05 0.00 0.00 58.31 55.86 2epk n LYS 339 Cb 0.53 -0.34 0.20 0.00 -0.65 0.00 0.00 35.03 34.77 2epk n LYS 339 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2epk n TRP 340 N 0.14 0.57 -1.93 5.58 2.14 -1.22 -4.52 117.44 118.21 2epk n TRP 340 Ca 0.05 -1.53 -0.03 0.00 2.07 0.00 0.00 57.50 58.06 2epk n TRP 340 Cb 0.93 -0.37 0.12 0.00 -0.81 0.00 0.00 31.31 31.17 2epk n TRP 340 CO 0.00 0.00 0.00 0.44 2.07 0.00 0.00 177.69 180.20 2epk n ILE 341 N -1.12 1.92 0.00 -1.67 -5.35 -1.26 -4.29 119.36 107.59 2epk n ILE 341 Ca 0.26 -3.17 0.00 0.00 -0.27 0.00 0.00 62.75 59.57 2epk n ILE 341 Cb 0.87 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 2epk n ILE 341 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2epk n GLY 342 N -0.74 0.18 0.00 3.28 0.00 -1.26 -4.62 105.19 102.03 2epk n GLY 342 Ca 0.23 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.85 2epk n GLY 342 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2epk n PHE 343 N 0.00 0.02 -4.56 1.61 3.72 -1.26 -1.40 117.46 115.59 2epk n PHE 343 Ca 0.00 0.01 -0.24 0.00 -0.05 0.00 0.00 57.45 57.17 2epk n PHE 343 Cb 0.00 -0.16 -0.16 0.00 -0.94 0.00 0.00 39.48 38.22 2epk n PHE 343 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2epk s THR 344 N -3.02 1.07 0.94 4.37 2.01 -1.26 -4.51 115.64 115.24 2epk s THR 344 Ca 0.09 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 2epk s THR 344 Cb 0.17 -0.97 0.22 0.00 0.01 0.00 0.00 72.50 71.92 2epk s THR 344 CO 0.78 0.33 1.27 -0.81 -0.69 0.00 0.00 174.62 175.51 2epk n PRO 345 N 3.64 -1.23 -3.31 4.92 -0.04 -1.26 -4.63 135.00 133.08 2epk n PRO 345 Ca -0.22 -1.99 -0.25 0.00 -0.04 0.00 0.00 63.50 61.01 2epk n PRO 345 Cb 0.52 -1.31 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 2epk n PRO 345 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2epk n HIS 346 N -3.75 0.45 -0.11 0.54 -0.00 0.06 -4.57 115.22 107.83 2epk n HIS 346 Ca 0.16 -3.66 0.03 0.00 0.46 0.00 0.00 57.72 54.71 2epk n HIS 346 Cb 0.56 -0.29 0.35 0.00 -0.12 0.00 0.00 29.99 30.49 2epk n HIS 346 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 2epk h ASN 347 N 4.41 0.64 -0.14 0.26 2.35 -1.90 -0.62 115.58 120.57 2epk h ASN 347 Ca 0.13 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2epk h ASN 347 Cb 0.84 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 2epk h ASN 347 CO 0.53 0.46 0.07 0.45 -1.65 0.00 0.00 177.43 177.29 2epk h HIS 348 N 0.76 0.20 -0.60 1.19 3.86 -1.97 0.23 115.15 118.81 2epk h HIS 348 Ca 0.22 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 2epk h HIS 348 Cb -0.02 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 2epk h HIS 348 CO -0.00 0.22 -0.02 0.35 0.86 0.00 0.00 177.93 179.33 2epk h PHE 349 N 0.12 1.17 -0.96 2.45 3.57 -1.83 -2.47 116.94 118.98 2epk h PHE 349 Ca 0.05 -0.21 0.07 0.00 3.53 0.00 0.00 57.97 61.41 2epk h PHE 349 Cb 0.09 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 38.46 2epk h PHE 349 CO -0.04 1.04 0.61 0.77 -2.23 0.00 0.00 178.31 178.47 2epk h SER 350 N 0.97 0.96 -0.52 0.41 0.02 -0.60 -2.42 113.55 112.37 2epk h SER 350 Ca 0.17 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2epk h SER 350 Cb 0.59 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2epk h SER 350 CO 0.04 0.60 0.30 -0.09 -1.14 0.00 0.00 176.83 176.53 2epk h ARG 351 N 1.09 0.72 -0.20 3.45 2.43 -0.14 -1.83 114.38 119.90 2epk h ARG 351 Ca 0.43 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2epk h ARG 351 Cb 0.22 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2epk h ARG 351 CO -0.19 0.54 0.13 1.25 -1.51 0.00 0.00 179.97 180.19 2epk h LEU 352 N 0.70 0.23 -0.40 3.80 6.46 -1.02 -1.71 115.31 123.37 2epk h LEU 352 Ca 0.19 -0.02 -0.16 0.00 -0.12 0.00 0.00 57.88 57.77 2epk h LEU 352 Cb 0.02 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 2epk h LEU 352 CO -0.03 0.18 -0.78 -0.37 -0.62 0.00 0.00 178.44 176.82 2epk h VAL 353 N 0.26 1.53 -0.44 1.05 -1.51 -1.46 -3.22 116.25 112.46 2epk h VAL 353 Ca 0.07 -2.69 -0.03 0.00 -1.23 0.00 0.00 66.70 62.82 2epk h VAL 353 Cb -0.02 2.46 -0.02 0.00 -2.13 0.00 0.00 31.29 31.58 2epk h VAL 353 CO -0.02 0.76 0.14 0.00 -1.23 0.00 0.00 177.57 177.23 2epk h ALA 354 N 1.22 0.57 -0.57 5.19 0.00 -1.05 0.21 119.26 124.83 2epk h ALA 354 Ca -0.01 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2epk h ALA 354 Cb 1.40 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 2epk h ALA 354 CO 0.10 0.22 0.21 0.82 0.00 0.00 0.00 179.25 180.59 2epk h ILE 355 N 0.57 0.79 0.00 0.00 2.04 -1.34 0.13 117.51 119.70 2epk h ILE 355 Ca 0.14 -0.13 -0.23 0.00 1.00 0.00 0.00 64.86 65.64 2epk h ILE 355 Cb 0.25 0.37 0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2epk h ILE 355 CO -0.01 0.07 -0.89 -0.33 0.00 0.00 0.00 178.15 177.00 2epk h GLU 356 N 0.39 0.60 -0.65 2.37 4.39 -1.50 -3.09 114.58 117.08 2epk h GLU 356 Ca 0.28 -0.64 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 2epk h GLU 356 Cb 0.34 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 2epk h GLU 356 CO -0.29 1.25 0.35 0.00 -1.16 0.00 0.00 179.01 179.17 2epk h ALA 357 N 0.37 0.84 -0.86 3.43 0.00 -0.28 -2.69 119.26 120.06 2epk h ALA 357 Ca -0.11 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.74 2epk h ALA 357 Cb 1.56 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2epk h ALA 357 CO 0.17 0.36 0.54 -0.97 0.00 0.00 0.00 179.25 179.35 2epk h ASN 358 N 0.89 0.86 -0.38 0.00 -1.24 -0.81 0.95 115.58 115.85 2epk h ASN 358 Ca 0.23 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.29 2epk h ASN 358 Cb 0.05 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 38.88 2epk h ASN 358 CO -0.04 0.56 0.14 0.11 -1.29 0.00 0.00 177.43 176.92 2epk h LYS 359 N 1.00 0.29 -0.24 6.67 1.57 -1.40 -1.61 116.57 122.85 2epk h LYS 359 Ca 0.36 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.95 2epk h LYS 359 Cb 0.12 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2epk h LYS 359 CO -0.16 0.19 -0.56 0.00 -0.57 0.00 0.00 179.45 178.36 2epk h ALA 360 N 1.25 0.56 -0.72 3.86 0.00 -1.11 -1.73 119.26 121.37 2epk h ALA 360 Ca 0.18 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2epk h ALA 360 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2epk h ALA 360 CO -0.18 0.69 0.32 0.00 0.00 0.00 0.00 179.25 180.08 2epk h ARG 362 N 1.01 0.56 -0.31 0.00 3.08 -1.18 -1.63 114.38 115.91 2epk h ARG 362 Ca 0.24 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2epk h ARG 362 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2epk h ARG 362 CO -0.03 0.67 0.15 -0.22 -1.07 0.00 0.00 179.97 179.47 2epk h LYS 363 N 0.38 0.42 -0.47 0.04 3.64 -1.19 -2.74 116.57 116.65 2epk h LYS 363 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2epk h LYS 363 Cb 0.39 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2epk h LYS 363 CO 0.01 0.33 0.00 0.09 -2.27 0.00 0.00 179.45 177.61 2epk n ASN 364 N -4.43 5.11 -3.18 4.20 3.02 -0.71 -4.96 115.26 114.30 2epk n ASN 364 Ca 0.02 -2.94 -0.23 0.00 -0.03 0.00 0.00 54.58 51.39 2epk n ASN 364 Cb 0.11 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 38.67 2epk n ASN 364 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2epk n GLN 365 N 0.27 -4.33 -2.04 3.52 6.02 -0.91 -4.92 117.38 114.98 2epk n GLN 365 Ca 0.26 0.72 -0.41 0.00 -0.01 0.00 0.00 57.00 57.56 2epk n GLN 365 Cb 1.09 -5.52 -0.02 0.00 1.02 0.00 0.00 30.24 26.81 2epk n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2epk s VAL 366 N -3.08 2.60 -0.08 5.09 1.01 -0.66 -4.95 120.40 120.34 2epk s VAL 366 Ca 0.35 0.57 0.17 0.00 0.00 0.00 0.00 61.98 63.08 2epk s VAL 366 Cb -0.17 -3.37 -0.26 0.00 0.00 0.00 0.00 36.38 32.58 2epk s VAL 366 CO 0.43 0.13 0.28 0.29 0.00 0.00 0.00 175.10 176.23 2epk n LYS 367 N 1.16 0.78 -4.29 2.72 5.02 -1.26 -4.65 118.16 117.64 2epk n LYS 367 Ca 0.02 -0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 55.99 2epk n LYS 367 Cb 0.41 -1.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.82 2epk n LYS 367 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2epk s GLU 368 N -2.98 1.03 -0.07 1.97 2.12 -1.26 -1.28 118.70 118.23 2epk s GLU 368 Ca -0.07 -0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.10 2epk s GLU 368 Cb 0.09 -0.95 -0.01 0.00 0.26 0.00 0.00 34.13 33.53 2epk s GLU 368 CO 0.75 -0.02 -0.23 0.08 -0.54 0.00 0.00 175.26 175.30 2epk s VAL 369 N 0.72 1.93 -0.15 3.70 1.01 -0.72 -1.57 120.40 125.33 2epk s VAL 369 Ca -0.11 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2epk s VAL 369 Cb -0.14 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2epk s VAL 369 CO 0.01 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 2epk s ILE 370 N 0.07 2.78 -0.25 2.22 1.09 0.68 -1.43 121.20 126.36 2epk s ILE 370 Ca -0.09 -0.74 -0.13 0.00 -1.10 0.00 0.00 60.65 58.59 2epk s ILE 370 Cb -0.15 -2.17 -0.04 0.00 -1.06 0.00 0.00 42.46 39.04 2epk s ILE 370 CO 0.05 0.51 0.28 -0.69 -0.10 0.00 0.00 174.94 175.00 2epk s VAL 371 N 0.70 5.26 -0.11 2.92 1.01 0.47 -0.55 120.40 130.10 2epk s VAL 371 Ca -0.07 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 2epk s VAL 371 Cb -0.16 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2epk s VAL 371 CO 0.02 0.25 0.06 0.42 0.00 0.00 0.00 175.10 175.84 2epk s THR 372 N 1.58 4.78 -0.59 3.92 -4.23 -0.47 -4.30 115.64 116.32 2epk s THR 372 Ca 0.12 -0.06 0.06 0.00 -1.18 0.00 0.00 61.69 60.62 2epk s THR 372 Cb -0.15 -3.06 0.30 0.00 1.34 0.00 0.00 72.50 70.94 2epk s THR 372 CO 0.08 0.59 0.85 0.61 -0.54 0.00 0.00 174.62 176.21 2epk n GLY 373 N 2.28 5.16 3.63 3.99 0.00 -1.26 -1.08 105.19 117.91 2epk n GLY 373 Ca -0.19 -2.72 -0.30 0.00 0.00 0.00 0.00 46.02 42.81 2epk n GLY 373 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2epk s TRP 374 N -2.98 1.55 -0.06 1.61 0.52 -1.26 -2.82 118.94 115.49 2epk s TRP 374 Ca 0.45 1.66 0.14 0.00 0.02 0.00 0.00 56.10 58.37 2epk s TRP 374 Cb 0.23 -3.29 0.27 0.00 -1.15 0.00 0.00 33.47 29.53 2epk s TRP 374 CO -0.08 -3.06 1.12 0.41 0.02 0.00 0.00 176.95 175.36 2epk n GLY 375 N 0.35 2.25 0.00 0.98 0.00 -1.26 -3.38 105.19 104.13 2epk n GLY 375 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2epk n GLY 375 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2epk n ASP 376 N -0.28 0.00 -2.19 1.61 10.43 -1.26 -1.99 116.55 122.88 2epk n ASP 376 Ca 0.08 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.34 2epk n ASP 376 Cb 0.84 0.00 0.04 0.00 1.84 0.00 0.00 41.12 43.84 2epk n ASP 376 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 2epk n ASN 377 N 0.00 -3.02 0.00 -2.24 4.05 -1.26 -4.19 115.26 108.60 2epk n ASN 377 Ca 0.00 -0.30 0.00 0.00 0.45 0.00 0.00 54.58 54.73 2epk n ASN 377 Cb 0.00 -2.88 0.00 0.00 1.23 0.00 0.00 39.78 38.13 2epk n ASN 377 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2epk n GLY 378 N -1.16 1.49 3.11 8.20 0.00 -1.00 -4.81 105.19 111.02 2epk n GLY 378 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 2epk n GLY 378 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2epk n GLY 379 N 0.00 -0.25 0.15 -0.02 0.00 -0.84 -4.52 105.19 99.70 2epk n GLY 379 Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2epk n GLY 379 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2epk h GLU 380 N -1.87 0.00 -6.37 1.61 5.08 -1.79 -3.44 114.58 107.80 2epk h GLU 380 Ca -0.48 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.33 2epk h GLU 380 Cb 1.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 2epk h GLU 380 CO 0.44 0.00 0.04 0.99 -1.00 0.00 0.00 179.01 179.47 2epk s THR 381 N -3.17 4.63 0.32 1.13 2.01 -0.50 -4.41 115.64 115.65 2epk s THR 381 Ca 0.08 1.31 -0.28 0.00 0.31 0.00 0.00 61.69 63.11 2epk s THR 381 Cb 0.09 -3.94 -0.13 0.00 0.01 0.00 0.00 72.50 68.54 2epk s THR 381 CO 0.65 0.46 1.17 -0.24 -0.69 0.00 0.00 174.62 175.96 2epk n SER 382 N 1.42 2.12 0.29 3.53 2.88 -1.26 -4.87 113.62 117.73 2epk n SER 382 Ca -0.07 1.20 0.17 0.00 -1.33 0.00 0.00 58.87 58.83 2epk n SER 382 Cb 0.50 -1.40 0.86 0.00 -0.75 0.00 0.00 64.21 63.42 2epk n SER 382 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2epk h GLN 383 N 2.30 0.00 -0.44 -1.46 1.08 -1.96 -2.17 115.11 112.46 2epk h GLN 383 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 2epk h GLN 383 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 2epk h GLN 383 CO 0.62 0.05 0.00 1.19 -0.95 0.00 0.00 178.83 179.74 2epk n PHE 384 N -3.31 0.90 0.27 2.96 3.01 -1.26 -4.58 117.46 115.45 2epk n PHE 384 Ca -0.01 -0.62 0.16 0.00 1.01 0.00 0.00 57.45 57.99 2epk n PHE 384 Cb 0.21 -0.15 0.68 0.00 -0.01 0.00 0.00 39.48 40.21 2epk n PHE 384 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2epk h SER 385 N 2.73 0.00 -0.43 4.37 4.64 -1.75 -3.22 113.55 119.88 2epk h SER 385 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2epk h SER 385 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2epk h SER 385 CO 0.11 0.04 0.00 1.33 -0.87 0.00 0.00 176.83 177.44 2epk n VAL 386 N -3.16 2.23 -0.36 0.95 0.24 -1.26 -4.61 118.33 112.35 2epk n VAL 386 Ca 0.00 -1.53 0.09 0.00 -2.04 0.00 0.00 64.34 60.86 2epk n VAL 386 Cb 0.31 -0.12 0.26 0.00 -1.47 0.00 0.00 33.84 32.83 2epk n VAL 386 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2epk h LEU 387 N 2.90 0.89 -0.25 1.34 3.38 -1.90 -1.05 115.31 120.62 2epk h LEU 387 Ca 0.00 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2epk h LEU 387 Cb 1.54 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2epk h LEU 387 CO 0.28 0.43 0.10 -0.65 0.09 0.00 0.00 178.44 178.70 2epk h PRO 388 N 0.93 0.21 -0.97 1.13 0.11 -1.89 -0.66 132.00 130.87 2epk h PRO 388 Ca 0.52 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.72 2epk h PRO 388 Cb 0.60 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.59 2epk h PRO 388 CO -0.30 0.14 0.62 0.00 -0.21 0.00 0.00 178.00 178.25 2epk h ALA 389 N 1.15 1.53 -0.40 -0.75 0.00 -1.62 -0.02 119.26 119.14 2epk h ALA 389 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2epk h ALA 389 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2epk h ALA 389 CO -0.10 0.27 -0.06 -0.07 0.00 0.00 0.00 179.25 179.29 2epk h LEU 390 N 1.01 0.74 -0.86 0.00 3.38 -0.74 -2.00 115.31 116.85 2epk h LEU 390 Ca 0.46 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2epk h LEU 390 Cb 0.38 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2epk h LEU 390 CO -0.21 0.91 0.22 -0.61 0.09 0.00 0.00 178.44 178.83 2epk h GLN 391 N 0.56 1.06 -0.49 1.13 5.75 -0.62 -2.50 115.11 120.00 2epk h GLN 391 Ca 0.11 -0.22 0.03 0.00 -0.15 0.00 0.00 58.65 58.42 2epk h GLN 391 Cb 0.57 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.92 2epk h GLN 391 CO 0.03 0.90 0.28 0.82 -2.65 0.00 0.00 178.83 178.22 2epk h ILE 392 N 1.02 1.02 -0.25 2.39 2.04 -0.76 0.47 117.51 123.44 2epk h ILE 392 Ca 0.23 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 2epk h ILE 392 Cb 0.28 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2epk h ILE 392 CO -0.01 0.10 -0.27 -0.50 0.00 0.00 0.00 178.15 177.47 2epk h TRP 393 N 0.55 0.56 -0.29 1.37 4.06 -1.20 -1.30 115.95 119.70 2epk h TRP 393 Ca 0.20 -0.12 -0.06 0.00 2.06 0.00 0.00 58.89 60.97 2epk h TRP 393 Cb 0.05 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 2epk h TRP 393 CO -0.08 0.72 -0.05 0.00 -3.56 0.00 0.00 178.44 175.47 2epk h ALA 394 N 1.28 0.40 -0.46 1.49 0.00 -0.97 0.49 119.26 121.48 2epk h ALA 394 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2epk h ALA 394 Cb 0.70 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2epk h ALA 394 CO 0.05 0.20 0.26 0.93 0.00 0.00 0.00 179.25 180.69 2epk h GLU 395 N 0.32 0.64 -0.65 0.00 4.39 -0.74 -1.09 114.58 117.46 2epk h GLU 395 Ca 0.08 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2epk h GLU 395 Cb 0.52 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2epk h GLU 395 CO 0.02 0.50 0.19 -0.07 -1.16 0.00 0.00 179.01 178.49 2epk h LEU 396 N 0.61 0.92 -0.60 1.33 3.38 -1.14 0.32 115.31 120.13 2epk h LEU 396 Ca 0.16 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2epk h LEU 396 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2epk h LEU 396 CO -0.03 0.87 -0.36 0.00 0.09 0.00 0.00 178.44 179.01 2epk h ALA 397 N 1.25 0.78 0.01 1.53 0.00 -0.61 -2.18 119.26 120.05 2epk h ALA 397 Ca 0.21 -0.43 -0.34 0.00 0.00 0.00 0.00 54.91 54.35 2epk h ALA 397 Cb 0.29 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2epk h ALA 397 CO -0.01 0.65 -2.10 0.66 0.00 0.00 0.00 179.25 178.45 2epk n TYR 398 N -4.05 0.49 -0.00 0.00 4.02 -0.44 -1.03 117.16 116.15 2epk n TYR 398 Ca -0.01 0.16 0.01 0.00 -0.01 0.00 0.00 57.90 58.05 2epk n TYR 398 Cb 0.51 -1.09 -0.02 0.00 -0.02 0.00 0.00 39.34 38.73 2epk n TYR 398 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2epk n ARG 399 N -2.97 0.43 -1.81 -0.72 1.74 0.11 -3.97 116.66 109.47 2epk n ARG 399 Ca -0.28 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.65 2epk n ARG 399 Cb 1.09 -1.05 -0.03 0.00 -1.02 0.00 0.00 32.46 31.45 2epk n ARG 399 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2epk n ASN 400 N -1.62 -4.45 -3.80 0.55 5.15 -0.82 -4.97 115.26 105.29 2epk n ASN 400 Ca -0.01 0.17 -0.06 0.00 -0.60 0.00 0.00 54.58 54.09 2epk n ASN 400 Cb 0.11 -3.38 -0.02 0.00 -0.53 0.00 0.00 39.78 35.96 2epk n ASN 400 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2epk s ASP 401 N -2.63 -0.22 -0.18 1.20 1.47 -1.26 -4.96 116.67 110.09 2epk s ASP 401 Ca 0.00 -0.54 0.16 0.00 1.18 0.00 0.00 52.55 53.36 2epk s ASP 401 Cb 0.00 0.63 0.52 0.00 -0.34 0.00 0.00 42.92 43.74 2epk s ASP 401 CO 0.00 -1.17 1.42 0.18 0.68 0.00 0.00 175.17 176.28 2epk n LEU 402 N -0.47 3.87 0.20 2.11 4.77 -1.26 -4.08 117.00 122.14 2epk n LEU 402 Ca -0.05 -3.07 0.06 0.00 -0.03 0.00 0.00 56.01 52.93 2epk n LEU 402 Cb 0.60 -0.55 0.55 0.00 -2.33 0.00 0.00 43.42 41.69 2epk n LEU 402 CO 0.15 0.71 1.02 0.11 -1.33 0.00 0.00 177.39 178.05 2epk h LYS 403 N 1.70 0.10 -0.32 3.23 1.57 -1.97 -2.43 116.57 118.45 2epk h LYS 403 Ca 0.01 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2epk h LYS 403 Cb 1.45 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.69 2epk h LYS 403 CO 0.23 0.14 -0.00 1.63 -0.57 0.00 0.00 179.45 180.87 2epk n LYS 404 N -4.45 2.43 -0.04 3.15 4.76 -1.26 -4.72 118.16 118.03 2epk n LYS 404 Ca -0.02 -2.98 -0.07 0.00 -2.87 0.00 0.00 58.31 52.37 2epk n LYS 404 Cb 0.14 -1.84 0.11 0.00 -1.84 0.00 0.00 35.03 31.60 2epk n LYS 404 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 2epk h VAL 405 N 1.42 1.28 -0.26 -0.18 3.04 -1.78 -2.37 116.25 117.40 2epk h VAL 405 Ca 0.12 -1.41 -0.11 0.00 -1.01 0.00 0.00 66.70 64.29 2epk h VAL 405 Cb 1.59 1.36 -0.00 0.00 -2.01 0.00 0.00 31.29 32.22 2epk h VAL 405 CO 0.32 0.46 -0.26 0.28 -1.01 0.00 0.00 177.57 177.36 2epk h SER 406 N 0.56 0.67 -0.46 3.17 0.02 -1.84 -1.46 113.55 114.21 2epk h SER 406 Ca 0.07 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 2epk h SER 406 Cb 0.79 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2epk h SER 406 CO 0.06 1.01 0.25 -0.33 -1.14 0.00 0.00 176.83 176.68 2epk h GLU 407 N 0.35 0.65 -0.16 3.45 3.07 -1.87 -2.39 114.58 117.68 2epk h GLU 407 Ca 0.04 -0.08 -0.22 0.00 -0.50 0.00 0.00 59.36 58.60 2epk h GLU 407 Cb 0.82 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2epk h GLU 407 CO 0.06 0.52 -0.77 0.45 -1.40 0.00 0.00 179.01 177.87 2epk h HIS 408 N 0.61 1.09 -0.50 4.33 3.86 -1.45 -3.14 115.15 119.94 2epk h HIS 408 Ca 0.16 -0.48 0.03 0.00 -1.16 0.00 0.00 60.37 58.93 2epk h HIS 408 Cb 0.06 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 2epk h HIS 408 CO -0.02 1.31 0.33 0.35 0.86 0.00 0.00 177.93 180.77 2epk h PHE 409 N 0.55 0.54 -0.07 2.45 3.57 -1.19 -0.16 116.94 122.63 2epk h PHE 409 Ca -0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2epk h PHE 409 Cb 1.40 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2epk h PHE 409 CO 0.09 0.32 -0.11 1.25 -2.23 0.00 0.00 178.31 177.62 2epk h LEU 410 N 0.56 0.10 0.02 0.59 5.85 -1.37 -0.20 115.31 120.86 2epk h LEU 410 Ca 0.20 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2epk h LEU 410 Cb 0.11 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2epk h LEU 410 CO -0.05 0.22 -0.01 0.58 -0.34 0.00 0.00 178.44 178.84 2epk h VAL 411 N 0.10 1.47 -0.80 1.05 2.07 -1.10 -0.49 116.25 118.55 2epk h VAL 411 Ca 0.02 -1.66 0.15 0.00 0.82 0.00 0.00 66.70 66.03 2epk h VAL 411 Cb 0.27 2.56 -0.10 0.00 -1.52 0.00 0.00 31.29 32.50 2epk h VAL 411 CO 0.02 0.42 0.36 0.28 0.02 0.00 0.00 177.57 178.66 2epk h SER 412 N -0.76 0.39 0.00 0.57 0.02 -1.04 -3.35 113.55 109.37 2epk h SER 412 Ca -0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2epk h SER 412 Cb 0.70 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2epk h SER 412 CO 0.00 0.15 -0.94 0.35 -1.14 0.00 0.00 176.83 175.26 2epk n THR 413 N -4.95 0.00 -0.91 -2.27 -2.24 -0.11 -4.83 114.28 98.97 2epk n THR 413 Ca 0.16 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2epk n THR 413 Cb 0.43 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 2epk n THR 413 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2epk n GLY 414 N 2.36 0.71 3.26 3.38 0.00 -0.19 -4.96 105.19 109.74 2epk n GLY 414 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2epk n GLY 414 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2epk s LEU 415 N 0.00 1.31 0.06 0.99 0.05 -1.26 -5.01 118.68 114.82 2epk s LEU 415 Ca 0.00 -1.50 -0.30 0.00 0.05 0.00 0.00 54.13 52.38 2epk s LEU 415 Cb 0.00 0.55 -0.05 0.00 -2.05 0.00 0.00 46.19 44.65 2epk s LEU 415 CO 0.00 -0.95 1.04 -0.62 -0.55 0.00 0.00 176.35 175.27 2epk s ASP 416 N -3.23 7.32 0.19 1.48 2.15 -1.26 -3.91 116.67 119.42 2epk s ASP 416 Ca 0.38 1.82 -0.12 0.00 0.43 0.00 0.00 52.55 55.06 2epk s ASP 416 Cb 0.05 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 40.22 2epk s ASP 416 CO 0.17 -0.26 1.85 0.15 -0.17 0.00 0.00 175.17 176.91 2epk h PHE 417 N 6.36 0.76 -0.53 -5.34 3.57 -1.93 -0.90 116.94 118.93 2epk h PHE 417 Ca -0.42 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 60.99 2epk h PHE 417 Cb 1.22 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2epk h PHE 417 CO 0.66 0.45 -0.11 -0.44 -2.23 0.00 0.00 178.31 176.64 2epk h ASP 418 N 0.81 1.00 -0.18 0.41 3.32 -1.97 -2.59 116.42 117.21 2epk h ASP 418 Ca 0.25 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.99 2epk h ASP 418 Cb -0.03 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 2epk h ASP 418 CO -0.08 1.12 0.00 0.44 -1.72 0.00 0.00 179.24 179.00 2epk h ASP 419 N 0.89 -0.07 0.00 6.45 3.32 -1.89 -3.15 116.42 121.97 2epk h ASP 419 Ca 0.14 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2epk h ASP 419 Cb 0.67 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 2epk h ASP 419 CO 0.05 -0.01 0.03 0.33 -1.72 0.00 0.00 179.24 177.92 2epk n PHE 420 N -5.13 0.00 0.00 4.55 -0.00 -0.37 -4.04 117.46 112.47 2epk n PHE 420 Ca -0.03 -0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.14 2epk n PHE 420 Cb 0.10 -0.36 0.00 0.00 -0.00 0.00 0.00 39.48 39.22 2epk n PHE 420 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2epk n LYS 422 N 1.98 0.00 -0.22 -4.13 5.02 -1.19 -4.54 118.16 115.07 2epk n LYS 422 Ca 0.01 0.00 0.31 0.00 -2.02 0.00 0.00 58.31 56.62 2epk n LYS 422 Cb 0.15 -0.09 0.72 0.00 -0.02 0.00 0.00 35.03 35.79 2epk n LYS 422 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2epk h ILE 423 N 0.00 0.37 0.00 -0.18 2.10 -1.91 -0.08 117.51 117.81 2epk h ILE 423 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2epk h ILE 423 Cb 0.00 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 36.16 2epk h ILE 423 CO 0.00 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.54 2epk n ASP 424 N -4.01 0.00 -0.10 2.19 8.00 -1.26 -4.48 116.55 116.89 2epk n ASP 424 Ca 0.21 0.41 0.17 0.00 0.71 0.00 0.00 54.79 56.29 2epk n ASP 424 Cb 1.13 -0.45 0.56 0.00 -0.02 0.00 0.00 41.12 42.34 2epk n ASP 424 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2epk h LEU 425 N 0.00 0.26 -1.13 0.64 3.38 -1.34 -0.97 115.31 116.16 2epk h LEU 425 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2epk h LEU 425 Cb 0.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2epk h LEU 425 CO 0.00 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.67 2epk h ALA 426 N 1.68 1.00 -0.00 1.53 0.00 -1.86 0.93 119.26 122.54 2epk h ALA 426 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2epk h ALA 426 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2epk h ALA 426 CO -0.08 0.00 -0.79 0.09 0.00 0.00 0.00 179.25 178.48 2epk n ASN 427 N -2.34 0.91 -3.35 0.00 3.02 -0.37 -3.04 115.26 110.09 2epk n ASN 427 Ca 0.00 -0.96 -0.38 0.00 -0.03 0.00 0.00 54.58 53.21 2epk n ASN 427 Cb 0.15 0.95 -0.00 0.00 -0.61 0.00 0.00 39.78 40.27 2epk n ASN 427 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2epk n LEU 428 N -1.29 7.61 -4.75 3.41 4.77 0.32 -4.84 117.00 122.22 2epk n LEU 428 Ca 0.04 -4.91 -0.42 0.00 -0.03 0.00 0.00 56.01 50.69 2epk n LEU 428 Cb 0.28 -1.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.09 2epk n LEU 428 CO 0.34 1.99 1.22 0.18 -1.33 0.00 0.00 177.39 179.79 2epk n LEU 429 N 0.94 4.49 -4.74 2.23 4.77 -1.26 -4.87 117.00 118.56 2epk n LEU 429 Ca 0.56 1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 57.29 2epk n LEU 429 Cb 0.29 -1.60 -0.01 0.00 -2.33 0.00 0.00 43.42 39.77 2epk n LEU 429 CO 0.58 0.16 1.15 -2.65 -1.33 0.00 0.00 177.39 175.29 2epk n PRO 430 N 1.69 2.56 -0.97 3.23 -0.02 -1.26 -2.74 135.00 137.49 2epk n PRO 430 Ca 0.07 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2epk n PRO 430 Cb 0.37 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2epk n PRO 430 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2epk n ASP 431 N 1.44 -2.80 -4.78 2.55 8.00 -1.26 -5.02 116.55 114.70 2epk n ASP 431 Ca 0.06 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.15 2epk n ASP 431 Cb 0.37 -1.03 -0.00 0.00 -0.02 0.00 0.00 41.12 40.44 2epk n ASP 431 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2epk s LEU 432 N 0.00 4.32 0.31 0.64 1.43 -1.11 -4.97 118.68 119.31 2epk s LEU 432 Ca 0.00 3.04 -0.30 0.00 -1.03 0.00 0.00 54.13 55.84 2epk s LEU 432 Cb 0.00 -3.66 -0.11 0.00 0.03 0.00 0.00 46.19 42.44 2epk s LEU 432 CO 0.00 -0.88 1.58 -2.65 0.23 0.00 0.00 176.35 174.63 2epk n PRO 433 N 0.66 2.71 0.13 1.29 -0.02 -1.26 -4.90 135.00 133.62 2epk n PRO 433 Ca 0.02 0.96 0.13 0.00 -2.02 0.00 0.00 63.50 62.59 2epk n PRO 433 Cb 0.39 -2.74 0.45 0.00 -0.02 0.00 0.00 33.50 31.59 2epk n PRO 433 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2epk h ASP 434 N 4.43 0.00 -0.61 2.55 2.03 -2.01 -3.22 116.42 119.59 2epk h ASP 434 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 2epk h ASP 434 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2epk h ASP 434 CO 0.76 0.00 0.00 -0.46 -1.03 0.00 0.00 179.24 178.51 2epk n ASN 435 N -2.34 4.38 -4.59 4.15 6.94 -1.26 -4.82 115.26 117.72 2epk n ASN 435 Ca 0.04 -2.35 -0.34 0.00 -0.02 0.00 0.00 54.58 51.90 2epk n ASN 435 Cb 0.33 -0.52 -0.10 0.00 -2.36 0.00 0.00 39.78 37.12 2epk n ASN 435 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2epk s LEU 436 N -1.66 3.64 0.23 -4.53 1.43 -1.22 -4.90 118.68 111.67 2epk s LEU 436 Ca 0.47 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 2epk s LEU 436 Cb 0.29 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2epk s LEU 436 CO 0.24 0.17 0.48 -0.94 0.23 0.00 0.00 176.35 176.53 2epk s SER 437 N 0.40 6.48 0.00 2.29 1.04 -1.26 -4.60 113.70 118.04 2epk s SER 437 Ca 0.01 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2epk s SER 437 Cb -0.13 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2epk s SER 437 CO 0.01 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2epk n GLY 438 N -0.50 0.58 3.61 7.32 0.00 -1.26 -4.93 105.19 110.01 2epk n GLY 438 Ca -0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2epk n GLY 438 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2epk s ILE 439 N -2.00 4.70 -0.42 -0.61 1.01 -1.26 -4.38 121.20 118.24 2epk s ILE 439 Ca 0.00 1.15 0.11 0.00 0.00 0.00 0.00 60.65 61.91 2epk s ILE 439 Cb 0.00 -4.24 0.38 0.00 0.01 0.00 0.00 42.46 38.62 2epk s ILE 439 CO 0.00 -0.39 0.88 -0.46 0.00 0.00 0.00 174.94 174.97 2epk n ASN 440 N 6.47 2.36 0.32 3.58 6.94 -1.17 -4.88 115.26 128.87 2epk n ASN 440 Ca 0.05 -3.20 0.19 0.00 -0.02 0.00 0.00 54.58 51.60 2epk n ASN 440 Cb 0.48 -0.56 1.07 0.00 -2.36 0.00 0.00 39.78 38.40 2epk n ASN 440 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2epk h PRO 441 N 2.94 0.00 -1.01 -0.53 0.13 -1.83 -1.18 132.00 130.52 2epk h PRO 441 Ca 0.09 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.46 2epk h PRO 441 Cb 0.90 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.94 2epk h PRO 441 CO 0.62 0.00 0.64 -2.95 -0.23 0.00 0.00 178.00 176.09 2epk h ASN 442 N 0.00 0.51 0.01 1.44 7.08 -1.89 -1.69 115.58 121.05 2epk h ASN 442 Ca -0.00 0.08 -0.38 0.00 -3.08 0.00 0.00 56.30 52.92 2epk h ASN 442 Cb 0.02 -0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.20 2epk h ASN 442 CO 0.00 0.13 -2.13 -1.14 -2.08 0.00 0.00 177.43 172.21 2epk n ARG 443 N -4.65 0.61 0.11 4.14 0.63 -0.46 -3.82 116.66 113.23 2epk n ARG 443 Ca 0.24 0.33 -0.03 0.00 -0.92 0.00 0.00 57.85 57.47 2epk n ARG 443 Cb 0.79 -1.59 0.03 0.00 0.45 0.00 0.00 32.46 32.14 2epk n ARG 443 CO 0.00 0.00 0.00 0.10 -2.51 0.00 0.00 177.63 175.22 2epk h TYR 444 N -0.70 0.00 -0.15 -0.14 -0.00 -1.46 -1.07 116.97 113.45 2epk h TYR 444 Ca -0.56 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.06 2epk h TYR 444 Cb 1.63 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.35 2epk h TYR 444 CO 0.00 0.76 -0.40 0.28 -0.00 0.00 0.00 178.16 178.80 2epk h VAL 445 N 0.00 1.30 -0.03 -0.90 2.07 -1.53 -2.23 116.25 114.94 2epk h VAL 445 Ca -0.01 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 2epk h VAL 445 Cb 1.44 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2epk h VAL 445 CO 0.10 0.46 -0.03 0.25 0.02 0.00 0.00 177.57 178.37 2epk h LEU 446 N 0.29 0.08 0.00 2.57 5.85 -1.60 -3.36 115.31 119.14 2epk h LEU 446 Ca 0.03 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2epk h LEU 446 Cb 0.83 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2epk h LEU 446 CO 0.07 0.54 -0.43 -1.22 -0.34 0.00 0.00 178.44 177.06 2epk n TYR 447 N -4.80 0.12 -2.04 1.25 4.01 -0.43 -4.89 117.16 110.38 2epk n TYR 447 Ca -0.08 0.03 -0.34 0.00 -0.16 0.00 0.00 57.90 57.35 2epk n TYR 447 Cb 0.27 -0.38 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 2epk n TYR 447 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2epk s GLN 448 N -3.03 3.13 0.85 -0.72 -2.07 -0.84 -4.23 119.66 112.74 2epk s GLN 448 Ca 0.11 1.48 -0.11 0.00 -1.82 0.00 0.00 55.36 55.02 2epk s GLN 448 Cb 0.17 -1.99 0.10 0.00 -1.09 0.00 0.00 33.01 30.21 2epk s GLN 448 CO 0.67 -1.00 1.10 0.34 -1.32 0.00 0.00 175.29 175.07 2epk s ASP 449 N -2.20 3.78 -0.16 12.60 2.15 -1.26 -4.98 116.67 126.60 2epk s ASP 449 Ca 0.69 1.74 -0.13 0.00 0.43 0.00 0.00 52.55 55.28 2epk s ASP 449 Cb -0.22 -2.39 -0.23 0.00 -0.30 0.00 0.00 42.92 39.78 2epk s ASP 449 CO 0.34 -2.48 0.30 0.52 -0.17 0.00 0.00 175.17 173.68 2epk n VAL 450 N -3.80 1.68 0.07 1.11 0.31 -1.26 -3.50 118.33 112.94 2epk n VAL 450 Ca 0.08 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.94 2epk n VAL 450 Cb 0.54 -1.87 0.02 0.00 -0.91 0.00 0.00 33.84 31.62 2epk n VAL 450 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2epk h LEU 451 N -0.39 0.37 -5.99 7.52 3.38 -1.95 -3.37 115.31 114.88 2epk h LEU 451 Ca -0.39 -0.26 -0.58 0.00 0.09 0.00 0.00 57.88 56.73 2epk h LEU 451 Cb 1.72 -0.11 -0.41 0.00 0.09 0.00 0.00 40.66 41.95 2epk h LEU 451 CO -0.04 1.02 -0.78 0.00 0.09 0.00 0.00 178.44 178.73 2epk s PRO 453 N -2.31 3.14 0.54 0.00 0.04 -1.23 -4.25 135.00 130.93 2epk s PRO 453 Ca 0.40 -0.35 0.32 0.00 0.04 0.00 0.00 61.00 61.41 2epk s PRO 453 Cb 0.19 -4.64 1.53 0.00 0.04 0.00 0.00 34.50 31.62 2epk s PRO 453 CO -0.06 -2.40 2.07 -0.07 0.04 0.00 0.00 177.00 176.58 2epk h LEU 454 N 14.07 0.00 -2.95 -3.56 3.38 -1.83 -2.23 115.31 122.20 2epk h LEU 454 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2epk h LEU 454 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2epk h LEU 454 CO 1.30 0.08 0.00 0.18 0.09 0.00 0.00 178.44 180.10 2epk n LEU 455 N -3.37 4.13 -0.19 1.67 4.32 -1.26 -4.19 117.00 118.11 2epk n LEU 455 Ca -0.01 -2.22 0.15 0.00 -0.02 0.00 0.00 56.01 53.91 2epk n LEU 455 Cb 0.25 -0.49 0.47 0.00 -1.62 0.00 0.00 43.42 42.03 2epk n LEU 455 CO 0.28 0.87 1.21 -0.08 -1.22 0.00 0.00 177.39 178.45 2epk h GLU 456 N 3.77 0.47 0.00 3.23 4.57 -1.75 0.15 114.58 125.02 2epk h GLU 456 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2epk h GLU 456 Cb 1.15 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2epk h GLU 456 CO 0.10 0.31 0.00 1.04 -1.18 0.00 0.00 179.01 179.28 2epk n GLN 457 N -4.50 0.02 -0.25 1.92 6.02 -1.26 -2.40 117.38 116.92 2epk n GLN 457 Ca 0.15 0.09 0.10 0.00 -0.01 0.00 0.00 57.00 57.33 2epk n GLN 457 Cb 0.52 -1.52 0.26 0.00 1.02 0.00 0.00 30.24 30.52 2epk n GLN 457 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2epk n HIS 458 N -1.55 0.66 -4.83 1.08 8.25 0.04 -4.89 115.22 113.98 2epk n HIS 458 Ca 0.06 -0.33 -0.33 0.00 -0.26 0.00 0.00 57.72 56.86 2epk n HIS 458 Cb 0.30 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.27 2epk n HIS 458 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2epk s ILE 459 N -1.34 3.05 -0.51 1.59 1.01 -1.01 -3.72 121.20 120.28 2epk s ILE 459 Ca 0.38 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 2epk s ILE 459 Cb 0.20 -2.24 0.07 0.00 0.01 0.00 0.00 42.46 40.50 2epk s ILE 459 CO 0.27 0.55 0.56 -0.13 0.00 0.00 0.00 174.94 176.19 2epk s ARG 460 N -0.10 3.07 0.45 2.79 1.81 -1.26 -4.98 118.95 120.73 2epk s ARG 460 Ca -0.02 -1.09 0.12 0.00 -1.72 0.00 0.00 55.73 53.03 2epk s ARG 460 Cb -0.14 -4.13 1.00 0.00 -0.45 0.00 0.00 34.95 31.23 2epk s ARG 460 CO 0.04 -1.20 2.03 -1.35 -0.68 0.00 0.00 175.30 174.14 2epk h PRO 461 N 8.94 0.15 0.02 3.54 0.11 -1.97 -0.74 132.00 142.05 2epk h PRO 461 Ca -0.28 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.53 2epk h PRO 461 Cb 1.10 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 2epk h PRO 461 CO 0.95 0.21 -1.53 0.39 -0.21 0.00 0.00 178.00 177.82 2epk n GLU 462 N -4.40 0.60 -0.13 1.05 -0.58 -1.26 -3.59 120.64 112.33 2epk n GLU 462 Ca -0.01 0.49 -0.10 0.00 -0.42 0.00 0.00 57.16 57.12 2epk n GLU 462 Cb 0.18 -1.71 -0.02 0.00 -0.57 0.00 0.00 31.44 29.31 2epk n GLU 462 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2epk h LYS 463 N -0.81 0.61 -0.18 3.49 3.64 -1.97 -1.82 116.57 119.53 2epk h LYS 463 Ca -0.40 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 58.69 2epk h LYS 463 Cb 1.46 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2epk h LYS 463 CO -0.18 0.67 -0.40 -0.44 -2.27 0.00 0.00 179.45 176.83 2epk h ASP 464 N 0.45 0.66 -0.34 4.20 3.32 -1.36 -2.30 116.42 121.05 2epk h ASP 464 Ca 0.11 -0.56 0.06 0.00 0.02 0.00 0.00 57.03 56.66 2epk h ASP 464 Cb 0.35 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 2epk h ASP 464 CO 0.01 1.10 0.01 0.50 -1.72 0.00 0.00 179.24 179.13 2epk h LYS 465 N 0.24 0.10 -0.46 3.56 3.64 -1.60 -1.08 116.57 120.97 2epk h LYS 465 Ca 0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2epk h LYS 465 Cb 1.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2epk h LYS 465 CO 0.09 0.07 0.01 1.96 -2.27 0.00 0.00 179.45 179.31 2epk h GLN 466 N 0.11 0.75 -0.32 1.90 1.08 -1.37 0.06 115.11 117.33 2epk h GLN 466 Ca 0.16 -0.19 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2epk h GLN 466 Cb 0.22 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2epk h GLN 466 CO -0.26 0.75 0.12 1.25 -0.95 0.00 0.00 178.83 179.74 2epk h HIS 467 N 0.70 0.22 -0.49 2.96 2.76 -0.79 -1.50 115.15 119.02 2epk h HIS 467 Ca 0.14 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.20 2epk h HIS 467 Cb 0.42 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2epk h HIS 467 CO 0.02 0.10 -0.20 0.74 -1.30 0.00 0.00 177.93 177.29 2epk h PHE 468 N 0.27 1.13 0.01 5.26 0.04 -0.74 0.49 116.94 123.40 2epk h PHE 468 Ca 0.14 -0.27 -0.00 0.00 2.80 0.00 0.00 57.97 60.64 2epk h PHE 468 Cb 0.10 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 37.98 2epk h PHE 468 CO -0.13 1.09 -0.00 0.00 -0.60 0.00 0.00 178.31 178.67 2epk h ALA 469 N 0.90 -0.01 -0.76 2.45 0.00 -0.89 -0.86 119.26 120.09 2epk h ALA 469 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2epk h ALA 469 Cb 0.78 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2epk h ALA 469 CO 0.06 -0.48 0.48 1.03 0.00 0.00 0.00 179.25 180.34 2epk h SER 470 N -0.07 0.89 -0.99 0.00 0.87 -1.14 -2.76 113.55 110.36 2epk h SER 470 Ca -0.00 -0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2epk h SER 470 Cb 0.07 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.75 2epk h SER 470 CO 0.00 0.67 0.65 0.28 -0.53 0.00 0.00 176.83 177.91 2epk h SER 471 N 1.03 1.12 -0.78 6.23 0.02 -0.57 -2.05 113.55 118.54 2epk h SER 471 Ca 0.27 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2epk h SER 471 Cb -0.08 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.16 2epk h SER 471 CO -0.06 0.79 0.32 0.00 -1.14 0.00 0.00 176.83 176.74 2epk h ALA 472 N 1.40 1.08 -0.27 3.77 0.00 -0.88 -0.66 119.26 123.70 2epk h ALA 472 Ca 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2epk h ALA 472 Cb -0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 2epk h ALA 472 CO -0.10 0.66 0.10 1.96 0.00 0.00 0.00 179.25 181.87 2epk h GLN 473 N 1.14 0.41 -0.67 0.00 4.20 -1.28 -1.43 115.11 117.48 2epk h GLN 473 Ca 0.26 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 2epk h GLN 473 Cb 0.20 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2epk h GLN 473 CO -0.02 0.46 0.41 1.96 -0.67 0.00 0.00 178.83 180.96 2epk h GLN 474 N 0.29 0.91 -0.04 1.46 4.20 -1.07 -2.70 115.11 118.16 2epk h GLN 474 Ca 0.09 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 2epk h GLN 474 Cb 0.20 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2epk h GLN 474 CO -0.01 0.65 -0.67 -0.07 -0.67 0.00 0.00 178.83 178.06 2epk h LEU 475 N 0.91 0.20 -0.64 1.46 3.38 -1.09 -2.40 115.31 117.14 2epk h LEU 475 Ca 0.24 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2epk h LEU 475 Cb -0.03 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2epk h LEU 475 CO -0.05 0.81 0.34 1.23 0.09 0.00 0.00 178.44 180.87 2epk h GLY 476 N 1.67 0.93 0.90 0.83 0.00 -1.02 0.38 103.07 106.75 2epk h GLY 476 Ca -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 2epk h GLY 476 CO 0.10 0.14 -0.20 0.83 0.00 0.00 0.00 176.54 177.40 2epk h GLU 477 N 0.64 0.59 -0.78 4.80 4.39 -1.39 -3.14 114.58 119.68 2epk h GLU 477 Ca 0.29 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2epk h GLU 477 Cb 0.19 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2epk h GLU 477 CO -0.19 0.88 0.52 0.82 -1.16 0.00 0.00 179.01 179.88 2epk h ILE 478 N 0.31 1.20 -0.09 3.13 2.04 -1.10 -2.07 117.51 120.94 2epk h ILE 478 Ca 0.05 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2epk h ILE 478 Cb 0.75 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2epk h ILE 478 CO 0.05 0.19 -0.10 0.77 0.00 0.00 0.00 178.15 179.06 2epk h SER 479 N 1.06 0.12 0.82 1.72 4.64 -0.88 -1.72 113.55 119.31 2epk h SER 479 Ca 0.29 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2epk h SER 479 Cb -0.12 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2epk h SER 479 CO -0.06 0.25 0.00 0.11 -0.87 0.00 0.00 176.83 176.26 2epk h LYS 480 N 0.13 0.00 0.00 4.77 1.57 -1.36 -2.93 116.57 118.75 2epk h LYS 480 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2epk h LYS 480 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2epk h LYS 480 CO 0.02 0.00 -0.46 2.89 -0.57 0.00 0.00 179.45 181.33 2epk n ARG 481 N -2.94 1.47 0.00 3.15 1.85 -0.68 -4.79 116.66 114.73 2epk n ARG 481 Ca 0.00 -3.14 0.09 0.00 -1.00 0.00 0.00 57.85 53.80 2epk n ARG 481 Cb 0.26 -1.53 -0.02 0.00 -1.05 0.00 0.00 32.46 30.12 2epk n ARG 481 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2epk n ALA 482 N -1.09 3.54 -0.96 2.89 0.00 -1.02 -4.94 120.51 118.94 2epk n ALA 482 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2epk n ALA 482 Cb 0.70 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2epk n ALA 482 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2epk n GLY 483 N 1.30 3.79 0.04 0.00 0.00 -1.26 -1.82 105.19 107.24 2epk n GLY 483 Ca 0.07 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2epk n GLY 483 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2epk n GLU 484 N 14.00 0.05 -0.17 1.61 1.02 -1.26 -1.98 120.64 133.91 2epk n GLU 484 Ca 0.00 0.30 0.10 0.00 -0.02 0.00 0.00 57.16 57.54 2epk n GLU 484 Cb 0.00 -1.60 0.19 0.00 -0.02 0.00 0.00 31.44 30.01 2epk n GLU 484 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2epk n TYR 485 N -1.70 0.46 -0.30 -0.32 4.01 -0.75 -4.62 117.16 113.94 2epk n TYR 485 Ca 0.03 -0.28 0.12 0.00 -0.16 0.00 0.00 57.90 57.61 2epk n TYR 485 Cb 0.18 -0.00 0.28 0.00 -0.31 0.00 0.00 39.34 39.49 2epk n TYR 485 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2epk h ALA 486 N 3.75 1.34 -0.57 -0.72 0.00 -1.39 -1.92 119.26 119.75 2epk h ALA 486 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2epk h ALA 486 Cb 0.88 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2epk h ALA 486 CO 0.00 -0.33 0.38 0.10 0.00 0.00 0.00 179.25 179.40 2epk h TYR 487 N 0.38 0.49 -0.01 0.00 -0.00 -1.84 0.08 116.97 116.07 2epk h TYR 487 Ca 0.53 0.01 -0.16 0.00 -0.00 0.00 0.00 58.73 59.12 2epk h TYR 487 Cb 0.98 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.53 2epk h TYR 487 CO -0.16 0.25 -0.71 -0.84 -0.00 0.00 0.00 178.16 176.70 2epk h ILE 488 N 0.48 1.48 0.04 -0.90 3.07 -1.70 -2.11 117.51 117.86 2epk h ILE 488 Ca 0.25 -2.35 -0.22 0.00 1.55 0.00 0.00 64.86 64.10 2epk h ILE 488 Cb 0.38 2.26 -0.01 0.00 -0.27 0.00 0.00 36.82 39.18 2epk h ILE 488 CO -0.07 0.68 -1.01 -0.26 -1.05 0.00 0.00 178.15 176.43 2epk h PHE 489 N 0.06 0.23 -0.38 0.16 0.04 -1.29 -2.67 116.94 113.09 2epk h PHE 489 Ca -0.01 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.60 2epk h PHE 489 Cb 1.26 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.37 2epk h PHE 489 CO 0.01 1.05 0.23 1.49 -0.60 0.00 0.00 178.31 180.49 2epk h GLU 490 N 0.06 0.51 -0.31 1.51 4.57 -0.97 0.11 114.58 120.05 2epk h GLU 490 Ca -0.06 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.14 2epk h GLU 490 Cb 1.71 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 30.14 2epk h GLU 490 CO 0.15 0.38 -0.08 1.15 -1.18 0.00 0.00 179.01 179.43 2epk h THR 491 N 0.49 0.68 -0.22 0.32 2.02 -1.36 -1.65 112.91 113.19 2epk h THR 491 Ca 0.13 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 2epk h THR 491 Cb 0.01 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2epk h THR 491 CO -0.03 0.00 -0.25 1.56 0.37 0.00 0.00 175.52 177.18 2epk h GLN 492 N -0.00 0.42 -0.35 6.66 1.08 -1.11 -1.79 115.11 120.01 2epk h GLN 492 Ca 0.15 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2epk h GLN 492 Cb 0.23 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2epk h GLN 492 CO -0.32 0.64 0.13 0.00 -0.95 0.00 0.00 178.83 178.32 2epk h ALA 493 N 1.37 0.46 -0.60 3.87 0.00 -0.55 -1.83 119.26 121.97 2epk h ALA 493 Ca 0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2epk h ALA 493 Cb 0.64 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2epk h ALA 493 CO 0.05 0.08 0.10 1.96 0.00 0.00 0.00 179.25 181.43 2epk h GLN 494 N 0.42 0.97 0.04 0.00 4.20 -1.05 -2.42 115.11 117.27 2epk h GLN 494 Ca 0.12 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 2epk h GLN 494 Cb 0.22 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2epk h GLN 494 CO -0.01 0.90 -0.02 1.25 -0.67 0.00 0.00 178.83 180.28 2epk h LEU 495 N 0.92 -0.04 -0.65 1.46 5.85 -1.22 -0.74 115.31 120.88 2epk h LEU 495 Ca 0.19 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2epk h LEU 495 Cb 0.39 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 2epk h LEU 495 CO 0.01 0.19 0.34 0.78 -0.34 0.00 0.00 178.44 179.41 2epk h ASN 496 N -0.28 0.46 -0.41 1.25 2.35 -1.29 0.15 115.58 117.81 2epk h ASN 496 Ca -0.01 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2epk h ASN 496 Cb 0.26 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2epk h ASN 496 CO 0.01 0.29 0.10 0.00 -1.65 0.00 0.00 177.43 176.18 2epk h ALA 497 N 1.37 0.54 -0.57 -0.83 0.00 -1.35 -2.09 119.26 116.33 2epk h ALA 497 Ca 0.31 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2epk h ALA 497 Cb 0.26 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2epk h ALA 497 CO -0.22 0.22 0.30 1.25 0.00 0.00 0.00 179.25 180.80 2epk h LEU 498 N 0.52 0.44 -0.56 0.00 5.85 -0.66 -2.76 115.31 118.13 2epk h LEU 498 Ca 0.13 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2epk h LEU 498 Cb 0.32 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2epk h LEU 498 CO 0.00 0.29 0.20 -0.07 -0.34 0.00 0.00 178.44 178.53 2epk h LEU 499 N 0.57 0.80 -0.49 2.25 3.38 -0.46 -0.41 115.31 120.95 2epk h LEU 499 Ca 0.25 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.12 2epk h LEU 499 Cb 0.15 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 2epk h LEU 499 CO -0.17 0.77 0.07 0.00 0.09 0.00 0.00 178.44 179.21 2epk h ALA 500 N 1.06 0.53 -0.16 1.53 0.00 -1.16 -1.26 119.26 119.79 2epk h ALA 500 Ca 0.18 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 55.02 2epk h ALA 500 Cb 0.24 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2epk h ALA 500 CO -0.01 -0.33 -0.66 1.25 0.00 0.00 0.00 179.25 179.50 2epk h LEU 501 N 0.20 0.72 -0.67 0.00 5.85 -1.26 -1.76 115.31 118.40 2epk h LEU 501 Ca 0.24 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 2epk h LEU 501 Cb 0.34 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2epk h LEU 501 CO -0.34 1.19 0.28 0.50 -0.34 0.00 0.00 178.44 179.73 2epk h LYS 502 N 0.45 0.99 -0.39 1.25 3.64 -0.73 -0.02 116.57 121.76 2epk h LYS 502 Ca -0.02 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2epk h LYS 502 Cb 1.25 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 2epk h LYS 502 CO 0.13 0.81 0.11 0.82 -2.27 0.00 0.00 179.45 179.05 2epk h ILE 503 N 0.94 1.22 -0.28 2.00 2.04 -1.18 0.33 117.51 122.57 2epk h ILE 503 Ca 0.22 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.40 2epk h ILE 503 Cb 0.18 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2epk h ILE 503 CO -0.02 0.25 0.04 -1.28 0.00 0.00 0.00 178.15 177.14 2epk h SER 504 N 0.48 -0.03 -0.27 1.72 0.87 -0.79 -0.74 113.55 114.79 2epk h SER 504 Ca 0.12 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 2epk h SER 504 Cb 0.27 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2epk h SER 504 CO -0.00 0.02 -0.11 0.40 -0.53 0.00 0.00 176.83 176.61 2epk h ILE 505 N 0.14 1.29 -0.22 2.23 2.04 -0.90 -0.60 117.51 121.50 2epk h ILE 505 Ca 0.13 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 2epk h ILE 505 Cb 0.15 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2epk h ILE 505 CO -0.19 0.37 0.02 0.74 0.00 0.00 0.00 178.15 179.09 2epk h THR 506 N 0.29 1.24 -0.43 -0.27 2.02 -0.73 -0.46 112.91 114.57 2epk h THR 506 Ca 0.06 -0.81 -0.11 0.00 0.77 0.00 0.00 66.41 66.32 2epk h THR 506 Cb 0.61 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2epk h THR 506 CO 0.04 0.25 -0.19 0.28 0.37 0.00 0.00 175.52 176.27 2epk h SER 507 N 0.15 0.85 -0.93 4.18 0.02 -1.23 -3.06 113.55 113.53 2epk h SER 507 Ca 0.06 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 2epk h SER 507 Cb 0.36 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 2epk h SER 507 CO 0.01 1.03 0.61 1.23 -1.14 0.00 0.00 176.83 178.56 2epk h GLY 508 N 0.95 1.32 0.93 -3.77 0.00 -0.83 -2.14 103.07 99.52 2epk h GLY 508 Ca 0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2epk h GLY 508 CO 0.06 0.49 0.07 -2.22 0.00 0.00 0.00 176.54 174.94 2epk h ILE 509 N 1.27 1.24 -0.11 2.60 1.08 -1.08 -0.67 117.51 121.84 2epk h ILE 509 Ca 0.34 -0.83 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2epk h ILE 509 Cb -0.13 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 2epk h ILE 509 CO -0.07 0.28 0.06 1.56 -0.69 0.00 0.00 178.15 179.29 2epk h GLN 510 N 0.47 0.15 0.00 2.37 1.08 -1.39 -0.50 115.11 117.30 2epk h GLN 510 Ca 0.12 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2epk h GLN 510 Cb 0.34 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2epk h GLN 510 CO 0.01 0.17 -0.00 -0.22 -0.95 0.00 0.00 178.83 177.83 2epk h LYS 511 N 0.09 -0.00 -0.54 1.46 3.64 -1.37 -0.07 116.57 119.78 2epk h LYS 511 Ca 0.04 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2epk h LYS 511 Cb 0.06 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2epk h LYS 511 CO -0.01 0.27 0.07 0.00 -2.27 0.00 0.00 179.45 177.52 2epk h ALA 512 N 0.72 1.11 -0.20 5.00 0.00 -1.10 -1.71 119.26 123.08 2epk h ALA 512 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2epk h ALA 512 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2epk h ALA 512 CO 0.00 0.58 -0.08 -0.92 0.00 0.00 0.00 179.25 178.83 2epk h TYR 513 N 0.82 0.46 -0.93 0.00 3.20 -1.03 0.10 116.97 119.59 2epk h TYR 513 Ca 0.17 -0.11 0.18 0.00 3.14 0.00 0.00 58.73 62.11 2epk h TYR 513 Cb 0.39 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.47 2epk h TYR 513 CO 0.02 0.69 0.60 0.00 -1.64 0.00 0.00 178.16 177.83 2epk h ARG 514 N 0.11 0.58 -0.63 1.82 3.08 -0.70 -2.03 114.38 116.62 2epk h ARG 514 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2epk h ARG 514 Cb 0.56 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2epk h ARG 514 CO 0.03 0.39 0.00 0.09 -1.07 0.00 0.00 179.97 179.40 2epk n ASN 515 N -4.59 3.77 -1.14 7.04 5.03 -0.67 -4.96 115.26 119.73 2epk n ASN 515 Ca 0.20 -1.99 -0.15 0.00 0.87 0.00 0.00 54.58 53.51 2epk n ASN 515 Cb 0.59 -0.42 -0.06 0.00 -1.02 0.00 0.00 39.78 38.87 2epk n ASN 515 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2epk n GLY 516 N 1.52 1.51 3.57 7.41 0.00 -0.52 -4.91 105.19 113.77 2epk n GLY 516 Ca 0.22 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2epk n GLY 516 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2epk s ASP 517 N -2.76 6.80 0.55 1.61 -1.08 0.24 -4.78 116.67 117.25 2epk s ASP 517 Ca 0.00 -2.32 0.33 0.00 -0.52 0.00 0.00 52.55 50.04 2epk s ASP 517 Cb 0.00 -2.57 1.46 0.00 -1.46 0.00 0.00 42.92 40.35 2epk s ASP 517 CO 0.00 -1.20 2.02 0.11 0.52 0.00 0.00 175.17 176.62 2epk h LYS 518 N 7.89 0.00 -0.03 4.34 1.57 -1.91 -2.23 116.57 126.21 2epk h LYS 518 Ca 0.40 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2epk h LYS 518 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2epk h LYS 518 CO 1.44 0.04 -0.02 0.93 -0.57 0.00 0.00 179.45 181.27 2epk h GLU 519 N 0.00 0.07 -0.72 3.15 5.08 -1.97 0.10 114.58 120.29 2epk h GLU 519 Ca -0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2epk h GLU 519 Cb 0.46 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2epk h GLU 519 CO 0.00 0.49 0.32 1.25 -1.00 0.00 0.00 179.01 180.07 2epk h HIS 520 N -0.35 1.04 -0.68 4.33 2.76 -1.95 -1.73 115.15 118.57 2epk h HIS 520 Ca 0.01 -0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.15 2epk h HIS 520 Cb 0.47 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 2epk h HIS 520 CO 0.08 0.77 0.42 -0.07 -1.30 0.00 0.00 177.93 177.83 2epk h LEU 521 N 1.02 0.69 -0.82 0.26 4.07 -1.32 -1.34 115.31 117.87 2epk h LEU 521 Ca 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.18 2epk h LEU 521 Cb 0.14 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 2epk h LEU 521 CO -0.03 0.48 0.42 0.28 -1.08 0.00 0.00 178.44 178.51 2epk h SER 522 N 0.83 1.05 -0.15 -0.43 0.02 -0.28 -0.82 113.55 113.77 2epk h SER 522 Ca 0.27 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2epk h SER 522 Cb 0.03 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2epk h SER 522 CO -0.11 0.87 0.08 0.00 -1.14 0.00 0.00 176.83 176.52 2epk h ALA 523 N 1.22 0.18 0.17 3.77 0.00 -0.90 -0.06 119.26 123.65 2epk h ALA 523 Ca 0.28 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2epk h ALA 523 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2epk h ALA 523 CO -0.04 -0.36 -0.20 -0.07 0.00 0.00 0.00 179.25 178.58 2epk h LEU 524 N 0.17 -0.54 -1.37 0.00 3.38 -0.97 -1.25 115.31 114.73 2epk h LEU 524 Ca 0.06 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2epk h LEU 524 Cb 0.01 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2epk h LEU 524 CO -0.04 -0.29 0.44 0.00 0.09 0.00 0.00 178.44 178.64 2epk h ALA 525 N 0.35 1.59 0.06 1.53 0.00 -0.99 -0.94 119.26 120.86 2epk h ALA 525 Ca 0.01 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 2epk h ALA 525 Cb 0.40 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2epk h ALA 525 CO -0.06 0.35 -1.68 0.93 0.00 0.00 0.00 179.25 178.79 2epk h GLU 526 N 0.83 0.13 0.00 0.00 5.08 -0.82 -3.42 114.58 116.39 2epk h GLU 526 Ca 0.26 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2epk h GLU 526 Cb 0.01 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2epk h GLU 526 CO -0.07 0.86 -0.56 1.63 -1.00 0.00 0.00 179.01 179.88 2epk n LYS 527 N -3.28 0.20 -0.02 2.33 5.02 -0.49 -4.71 118.16 117.23 2epk n LYS 527 Ca -0.19 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.07 2epk n LYS 527 Cb 1.04 -0.86 0.02 0.00 -0.02 0.00 0.00 35.03 35.21 2epk n LYS 527 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2epk h ASP 528 N -0.38 0.73 0.10 4.39 3.32 -1.41 -2.64 116.42 120.53 2epk h ASP 528 Ca -0.04 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 2epk h ASP 528 Cb 0.50 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2epk h ASP 528 CO -0.02 1.15 -0.05 -0.26 -1.72 0.00 0.00 179.24 178.33 2epk h PHE 529 N 0.49 -0.13 -0.90 4.55 -1.00 -1.44 0.14 116.94 118.65 2epk h PHE 529 Ca 0.00 -0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.92 2epk h PHE 529 Cb 1.15 0.04 -0.09 0.00 3.61 0.00 0.00 35.95 40.66 2epk h PHE 529 CO 0.06 0.02 0.51 -1.35 -1.61 0.00 0.00 178.31 175.94 2epk h PRO 530 N -0.26 0.72 -0.07 1.51 0.11 -1.79 0.48 132.00 132.69 2epk h PRO 530 Ca -0.01 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.06 2epk h PRO 530 Cb 0.21 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2epk h PRO 530 CO 0.02 0.47 0.01 1.96 -0.21 0.00 0.00 178.00 180.26 2epk h GLN 531 N 0.74 0.04 -0.37 1.05 4.20 -1.20 -2.08 115.11 117.50 2epk h GLN 531 Ca 0.48 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.18 2epk h GLN 531 Cb 0.63 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 2epk h GLN 531 CO -0.33 0.03 0.20 1.25 -0.67 0.00 0.00 178.83 179.30 2epk h LEU 532 N 0.05 0.46 -0.31 1.46 5.85 -0.42 -2.91 115.31 119.48 2epk h LEU 532 Ca 0.03 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.70 2epk h LEU 532 Cb 0.02 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2epk h LEU 532 CO -0.04 0.43 0.05 0.22 -0.34 0.00 0.00 178.44 178.76 2epk h TYR 533 N 0.47 0.09 0.00 1.25 5.03 -0.85 -0.88 116.97 122.08 2epk h TYR 533 Ca 0.13 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.46 2epk h TYR 533 Cb 0.07 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.35 2epk h TYR 533 CO -0.02 0.01 0.00 0.94 -1.32 0.00 0.00 178.16 177.77 2epk n GLN 534 N -5.10 0.11 0.00 1.82 -0.06 -0.79 -1.25 117.38 112.11 2epk n GLN 534 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2epk n GLN 534 Cb 0.14 -1.42 0.00 0.00 -4.06 0.00 0.00 30.24 24.90 2epk n GLN 534 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2epk n VAL 536 N 0.91 0.00 -0.34 1.69 0.31 -0.34 -0.97 118.33 119.60 2epk n VAL 536 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2epk n VAL 536 Cb 0.05 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.09 2epk n VAL 536 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2epk h GLU 537 N 0.00 1.18 -0.22 5.55 5.08 -1.44 -0.45 114.58 124.28 2epk h GLU 537 Ca 0.00 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 2epk h GLU 537 Cb 0.00 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2epk h GLU 537 CO 0.00 0.78 -0.48 -0.44 -1.00 0.00 0.00 179.01 177.87 2epk h ASP 538 N 1.21 0.63 -0.37 1.42 3.32 -1.32 -1.75 116.42 119.57 2epk h ASP 538 Ca 0.35 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 2epk h ASP 538 Cb -0.10 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2epk h ASP 538 CO -0.09 1.01 -0.12 0.15 -1.72 0.00 0.00 179.24 178.47 2epk h PHE 539 N 0.46 0.84 -0.56 4.55 3.57 -1.76 -0.82 116.94 123.22 2epk h PHE 539 Ca 0.02 -0.19 0.10 0.00 3.53 0.00 0.00 57.97 61.43 2epk h PHE 539 Cb 1.00 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.47 2epk h PHE 539 CO 0.04 0.90 0.13 1.03 -2.23 0.00 0.00 178.31 178.19 2epk h SER 540 N 0.53 0.04 -0.75 0.41 0.87 -1.01 0.61 113.55 114.26 2epk h SER 540 Ca 0.09 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 2epk h SER 540 Cb 0.65 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 2epk h SER 540 CO 0.04 0.04 0.30 0.44 -0.53 0.00 0.00 176.83 177.13 2epk h ASP 541 N 0.28 1.03 -0.17 6.23 3.32 -0.96 -1.16 116.42 124.99 2epk h ASP 541 Ca 0.29 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 2epk h ASP 541 Cb 0.40 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2epk h ASP 541 CO -0.36 0.92 -0.52 -0.61 -1.72 0.00 0.00 179.24 176.95 2epk h GLN 542 N 1.08 0.65 -0.76 3.56 5.75 -0.64 -2.73 115.11 122.02 2epk h GLN 542 Ca 0.25 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 2epk h GLN 542 Cb 0.20 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 2epk h GLN 542 CO -0.02 1.09 0.49 0.35 -2.65 0.00 0.00 178.83 178.09 2epk h PHE 543 N 0.33 0.96 -0.81 3.99 3.57 0.36 -2.19 116.94 123.15 2epk h PHE 543 Ca -0.02 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2epk h PHE 543 Cb 1.14 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 2epk h PHE 543 CO 0.10 0.62 0.53 0.77 -2.23 0.00 0.00 178.31 178.10 2epk h SER 544 N 1.03 0.80 -0.27 0.41 0.02 -1.09 0.64 113.55 115.10 2epk h SER 544 Ca 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2epk h SER 544 Cb -0.09 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2epk h SER 544 CO -0.06 0.52 0.12 0.03 -1.14 0.00 0.00 176.83 176.30 2epk h ARG 545 N 0.91 0.39 -0.01 3.45 3.08 -1.12 -1.25 114.38 119.83 2epk h ARG 545 Ca 0.34 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.35 2epk h ARG 545 Cb 0.19 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2epk h ARG 545 CO -0.12 0.41 -0.12 0.37 -1.07 0.00 0.00 179.97 179.44 2epk h GLN 546 N 0.29 -0.19 -0.42 0.04 4.15 -0.72 -1.40 115.11 116.86 2epk h GLN 546 Ca 0.09 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.58 2epk h GLN 546 Cb 0.15 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.84 2epk h GLN 546 CO -0.01 -0.13 0.15 2.35 -1.93 0.00 0.00 178.83 179.27 2epk h TRP 547 N -0.20 0.27 0.00 3.99 2.91 -0.79 -2.23 115.95 119.91 2epk h TRP 547 Ca 0.05 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.05 2epk h TRP 547 Cb 0.26 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 2epk h TRP 547 CO -0.19 0.11 -0.17 1.96 -1.03 0.00 0.00 178.44 179.12 2epk h GLN 548 N 0.32 0.00 -0.44 2.65 4.20 -0.97 0.26 115.11 121.14 2epk h GLN 548 Ca 0.20 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.79 2epk h GLN 548 Cb 0.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2epk h GLN 548 CO -0.20 0.17 -0.18 0.37 -0.67 0.00 0.00 178.83 178.32 2epk h GLN 549 N 0.00 0.85 0.00 1.46 5.75 -0.66 -3.38 115.11 119.13 2epk h GLN 549 Ca -0.00 -0.32 -0.33 0.00 -0.15 0.00 0.00 58.65 57.85 2epk h GLN 549 Cb 0.78 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.23 2epk h GLN 549 CO 0.02 0.96 -2.24 0.39 -2.65 0.00 0.00 178.83 175.31 2epk n GLU 550 N -4.13 0.84 -4.58 1.69 1.02 -0.74 -4.72 120.64 110.02 2epk n GLU 550 Ca 0.01 0.06 -0.27 0.00 -0.02 0.00 0.00 57.16 56.94 2epk n GLU 550 Cb 0.42 -1.45 -0.11 0.00 -0.02 0.00 0.00 31.44 30.28 2epk n GLU 550 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2epk s ASN 551 N -5.68 3.54 0.75 1.62 0.01 0.84 -1.16 114.94 114.87 2epk s ASN 551 Ca -0.20 -1.38 -0.13 0.00 -0.71 0.00 0.00 52.86 50.44 2epk s ASN 551 Cb 0.07 -0.30 0.05 0.00 0.41 0.00 0.00 41.25 41.47 2epk s ASN 551 CO 0.61 -0.50 1.13 -0.54 -1.51 0.00 0.00 177.10 176.29 2epk s LYS 552 N -3.75 2.22 0.38 -0.60 1.02 0.17 -4.57 119.74 114.61 2epk s LYS 552 Ca 0.35 1.40 0.06 0.00 0.02 0.00 0.00 55.97 57.80 2epk s LYS 552 Cb 0.10 -1.88 0.75 0.00 -0.52 0.00 0.00 37.83 36.28 2epk s LYS 552 CO 0.17 -1.70 1.96 0.97 -0.92 0.00 0.00 175.35 175.83 2epk h ILE 553 N -0.72 1.15 -3.33 2.17 6.09 -1.93 -3.44 117.51 117.50 2epk h ILE 553 Ca -0.45 -0.52 -0.53 0.00 -1.37 0.00 0.00 64.86 61.99 2epk h ILE 553 Cb 1.25 0.80 0.08 0.00 0.47 0.00 0.00 36.82 39.42 2epk h ILE 553 CO 0.50 0.19 0.87 -0.36 -3.07 0.00 0.00 178.15 176.29 2epk s PHE 554 N -5.15 2.79 0.00 2.19 0.08 -1.26 -2.21 117.98 114.42 2epk s PHE 554 Ca -0.07 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.79 2epk s PHE 554 Cb 0.16 -4.04 0.00 0.00 -0.57 0.00 0.00 43.02 38.58 2epk s PHE 554 CO 0.74 -3.48 0.00 0.41 -0.10 0.00 0.00 175.22 172.80 2epk n GLY 555 N 2.18 2.38 0.27 4.36 0.00 -1.26 -4.64 105.19 108.48 2epk n GLY 555 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2epk n GLY 555 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2epk h LEU 556 N 0.00 0.00 -0.92 0.99 5.85 -1.69 -2.77 115.31 116.76 2epk h LEU 556 Ca 0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2epk h LEU 556 Cb 0.00 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2epk h LEU 556 CO 0.00 0.08 0.58 -2.24 -0.34 0.00 0.00 178.44 176.51 2epk h ASP 557 N 0.00 0.89 -0.92 1.25 -0.00 -1.90 -0.53 116.42 115.22 2epk h ASP 557 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.05 2epk h ASP 557 Cb 0.18 -0.16 -0.04 0.00 -0.00 0.00 0.00 39.33 39.31 2epk h ASP 557 CO 0.01 0.54 0.58 0.74 -0.00 0.00 0.00 179.24 181.11 2epk h THR 558 N 1.01 1.25 -0.24 1.15 2.02 -1.91 -0.82 112.91 115.36 2epk h THR 558 Ca 0.42 -0.50 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 2epk h THR 558 Cb 0.25 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2epk h THR 558 CO -0.20 0.25 -0.39 0.40 0.37 0.00 0.00 175.52 175.95 2epk h ILE 559 N 1.26 1.30 -0.94 3.11 2.04 -1.40 -1.71 117.51 121.18 2epk h ILE 559 Ca 0.33 -1.55 0.12 0.00 1.00 0.00 0.00 64.86 64.76 2epk h ILE 559 Cb -0.09 1.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 2epk h ILE 559 CO -0.07 0.49 0.57 0.44 0.00 0.00 0.00 178.15 179.58 2epk h ASP 560 N 0.47 0.81 -0.41 1.72 3.32 -0.57 0.66 116.42 122.42 2epk h ASP 560 Ca 0.04 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 2epk h ASP 560 Cb 0.89 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2epk h ASP 560 CO 0.08 0.43 -0.16 0.40 -1.72 0.00 0.00 179.24 178.26 2epk h ILE 561 N 0.89 1.28 -0.17 0.35 1.08 -0.55 -0.50 117.51 119.90 2epk h ILE 561 Ca 0.47 -1.29 -0.06 0.00 -0.39 0.00 0.00 64.86 63.59 2epk h ILE 561 Cb 0.48 1.24 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2epk h ILE 561 CO -0.27 0.43 -0.11 0.03 -0.69 0.00 0.00 178.15 177.54 2epk h ARG 562 N 0.65 0.37 -0.27 2.37 3.08 -0.91 -0.40 114.38 119.27 2epk h ARG 562 Ca 0.10 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 2epk h ARG 562 Cb 0.71 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2epk h ARG 562 CO 0.05 0.71 -0.13 0.74 -1.07 0.00 0.00 179.97 180.27 2epk h PHE 563 N 0.04 0.65 -0.80 3.04 0.04 -0.92 -1.46 116.94 117.53 2epk h PHE 563 Ca 0.03 -0.16 0.09 0.00 2.80 0.00 0.00 57.97 60.73 2epk h PHE 563 Cb 0.61 -0.15 -0.07 0.00 2.20 0.00 0.00 35.95 38.54 2epk h PHE 563 CO 0.07 0.81 0.46 0.78 -0.60 0.00 0.00 178.31 179.83 2epk h GLY 564 N 0.30 1.23 1.02 -1.45 0.00 -1.08 -0.30 103.07 102.79 2epk h GLY 564 Ca 0.06 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 2epk h GLY 564 CO 0.04 0.14 0.08 -1.33 0.00 0.00 0.00 176.54 175.48 2epk h GLY 565 N 0.78 1.02 0.99 4.60 0.00 -0.89 -2.26 103.07 107.31 2epk h GLY 565 Ca 0.38 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2epk h GLY 565 CO -0.23 0.63 0.34 -2.00 0.00 0.00 0.00 176.54 175.27 2epk h LEU 566 N 0.84 0.74 -0.29 3.11 5.85 -0.65 -1.23 115.31 123.66 2epk h LEU 566 Ca 0.17 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2epk h LEU 566 Cb 0.42 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2epk h LEU 566 CO 0.01 0.61 0.19 -0.07 -0.34 0.00 0.00 178.44 178.84 2epk h LEU 567 N 0.81 0.35 -1.12 2.25 3.38 -1.00 -0.39 115.31 119.58 2epk h LEU 567 Ca 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2epk h LEU 567 Cb 0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2epk h LEU 567 CO -0.04 0.27 0.30 0.50 0.09 0.00 0.00 178.44 179.57 2epk h LYS 568 N 0.39 0.92 -0.04 1.13 1.63 -1.05 -0.71 116.57 118.84 2epk h LYS 568 Ca 0.11 -0.12 -0.12 0.00 -0.85 0.00 0.00 60.65 59.66 2epk h LYS 568 Cb -0.02 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 2epk h LYS 568 CO -0.02 0.72 -0.55 0.00 -3.45 0.00 0.00 179.45 176.15 2epk h ARG 569 N 0.92 0.11 -0.44 1.90 2.47 -0.87 0.29 114.38 118.75 2epk h ARG 569 Ca 0.22 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.83 2epk h ARG 569 Cb 0.11 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2epk h ARG 569 CO -0.03 0.63 0.11 0.82 0.56 0.00 0.00 179.97 182.06 2epk h ILE 570 N 0.09 1.23 -0.50 2.04 2.04 -0.42 -1.46 117.51 120.53 2epk h ILE 570 Ca -0.00 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2epk h ILE 570 Cb 0.99 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2epk h ILE 570 CO 0.08 0.29 0.33 0.50 0.00 0.00 0.00 178.15 179.34 2epk h LYS 571 N 0.59 0.66 -0.89 2.37 3.64 -0.93 -1.99 116.57 120.01 2epk h LYS 571 Ca 0.14 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2epk h LYS 571 Cb 0.32 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 2epk h LYS 571 CO 0.00 0.45 0.58 -0.09 -2.27 0.00 0.00 179.45 178.12 2epk h ARG 572 N 0.68 1.09 -0.44 1.90 9.65 -0.85 -1.29 114.38 125.12 2epk h ARG 572 Ca 0.18 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 2epk h ARG 572 Cb -0.07 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.25 2epk h ARG 572 CO -0.04 0.72 0.17 0.00 2.80 0.00 0.00 179.97 183.63 2epk h ALA 573 N 1.37 0.57 -0.04 2.80 0.00 -0.75 0.13 119.26 123.34 2epk h ALA 573 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2epk h ALA 573 Cb -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2epk h ALA 573 CO -0.12 0.17 0.02 0.37 0.00 0.00 0.00 179.25 179.70 2epk h GLN 574 N 0.56 0.05 -0.51 0.00 4.15 -1.15 -2.14 115.11 116.06 2epk h GLN 574 Ca 0.15 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2epk h GLN 574 Cb 0.19 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2epk h GLN 574 CO -0.01 0.06 0.30 1.49 -1.93 0.00 0.00 178.83 178.74 2epk h GLU 575 N 0.03 0.70 -0.76 1.69 4.81 -1.06 -0.46 114.58 119.53 2epk h GLU 575 Ca 0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2epk h GLU 575 Cb 0.02 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 2epk h GLU 575 CO -0.00 0.52 0.45 0.00 -0.73 0.00 0.00 179.01 179.25 2epk h ARG 576 N 0.69 1.04 -0.52 1.92 2.47 -0.91 -1.98 114.38 117.10 2epk h ARG 576 Ca 0.18 -0.10 -0.09 0.00 -1.26 0.00 0.00 59.98 58.71 2epk h ARG 576 Cb 0.00 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.09 2epk h ARG 576 CO -0.03 0.75 -0.04 -0.07 0.56 0.00 0.00 179.97 181.14 2epk h LEU 577 N 1.05 0.93 -0.27 3.04 3.38 -0.93 -2.46 115.31 120.05 2epk h LEU 577 Ca 0.27 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2epk h LEU 577 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2epk h LEU 577 CO -0.05 1.04 0.16 -0.33 0.09 0.00 0.00 178.44 179.35 2epk h GLU 578 N 0.81 0.37 -0.64 1.13 5.08 -0.87 0.14 114.58 120.59 2epk h GLU 578 Ca 0.14 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2epk h GLU 578 Cb 0.58 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2epk h GLU 578 CO 0.03 0.29 0.42 1.96 -1.00 0.00 0.00 179.01 180.72 2epk h GLN 579 N 0.34 0.66 -0.12 2.33 4.20 -1.35 0.78 115.11 121.94 2epk h GLN 579 Ca 0.10 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 2epk h GLN 579 Cb 0.02 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2epk h GLN 579 CO -0.02 0.44 -0.15 0.35 -0.67 0.00 0.00 178.83 178.78 2epk h PHE 580 N 0.68 0.38 -0.26 2.96 3.57 -0.89 0.18 116.94 123.56 2epk h PHE 580 Ca 0.27 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.66 2epk h PHE 580 Cb 0.21 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2epk h PHE 580 CO -0.00 0.74 0.13 0.82 -2.23 0.00 0.00 178.31 177.78 2epk h ILE 581 N -0.09 1.00 0.00 1.41 2.04 -0.36 -2.64 117.51 118.87 2epk h ILE 581 Ca 0.02 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2epk h ILE 581 Cb 0.69 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2epk h ILE 581 CO 0.04 0.05 -0.04 0.77 0.00 0.00 0.00 178.15 178.96 2epk h SER 582 N 0.28 0.00 0.00 1.72 4.64 -0.91 -3.47 113.55 115.81 2epk h SER 582 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2epk h SER 582 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2epk h SER 582 CO -0.07 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 2epk n GLY 583 N -0.06 0.78 0.28 -0.77 0.00 -0.68 -4.95 105.19 99.79 2epk n GLY 583 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2epk n GLY 583 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2epk h GLN 584 N 3.49 0.00 -5.17 1.61 4.20 -0.95 -3.42 115.11 114.87 2epk h GLN 584 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 2epk h GLN 584 Cb 0.00 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.58 2epk h GLN 584 CO 0.00 0.00 -0.76 0.96 -0.67 0.00 0.00 178.83 178.36 2epk s ILE 585 N -5.01 1.02 -0.49 2.54 -4.36 -1.01 -5.01 121.20 108.89 2epk s ILE 585 Ca -0.05 -1.37 0.24 0.00 -0.26 0.00 0.00 60.65 59.21 2epk s ILE 585 Cb 0.17 -1.09 0.09 0.00 1.25 0.00 0.00 42.46 42.87 2epk s ILE 585 CO 0.66 -0.32 1.30 0.44 0.24 0.00 0.00 174.94 177.25 2epk h ASP 586 N 4.13 0.00 -5.04 4.36 3.32 -1.90 -3.40 116.42 117.89 2epk h ASP 586 Ca -0.39 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.58 2epk h ASP 586 Cb 1.19 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.66 2epk h ASP 586 CO 0.43 0.05 0.16 0.00 -1.72 0.00 0.00 179.24 178.16 2epk s VAL 588 N -3.88 3.43 0.40 0.00 1.01 -1.26 -4.95 120.40 115.14 2epk s VAL 588 Ca 0.09 -2.05 0.07 0.00 0.00 0.00 0.00 61.98 60.09 2epk s VAL 588 Cb -0.03 -3.33 0.25 0.00 0.00 0.00 0.00 36.38 33.26 2epk s VAL 588 CO 0.01 -0.71 2.03 -0.33 0.00 0.00 0.00 175.10 176.10 2epk h GLU 589 N 8.07 0.52 -0.75 2.72 3.07 -1.99 -0.39 114.58 125.82 2epk h GLU 589 Ca -0.14 -0.04 0.14 0.00 -0.50 0.00 0.00 59.36 58.82 2epk h GLU 589 Cb 1.05 -0.11 -0.09 0.00 -0.84 0.00 0.00 28.75 28.76 2epk h GLU 589 CO 0.72 0.38 0.31 0.93 -1.40 0.00 0.00 179.01 179.95 2epk h GLU 590 N 0.53 0.45 0.00 2.33 3.07 -1.94 -1.27 114.58 117.76 2epk h GLU 590 Ca 0.14 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2epk h GLU 590 Cb 0.01 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 2epk h GLU 590 CO -0.02 0.30 0.00 1.28 -1.40 0.00 0.00 179.01 179.17 2epk n LEU 591 N -4.98 0.00 -0.19 1.33 4.77 -0.16 -3.08 117.00 114.69 2epk n LEU 591 Ca 0.14 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 2epk n LEU 591 Cb 0.40 -0.22 0.18 0.00 -2.33 0.00 0.00 43.42 41.45 2epk n LEU 591 CO 0.19 -0.01 0.41 -0.62 -1.33 0.00 0.00 177.39 176.03 2epk n GLU 592 N -1.22 0.56 -2.84 3.23 -0.58 -0.48 -4.92 120.64 114.39 2epk n GLU 592 Ca 0.16 -0.39 -0.39 0.00 -0.42 0.00 0.00 57.16 56.12 2epk n GLU 592 Cb 0.20 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.52 2epk n GLU 592 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2epk s GLN 593 N -2.71 4.69 -0.03 3.49 -1.52 -1.18 -5.01 119.66 117.40 2epk s GLN 593 Ca 0.17 1.33 -0.30 0.00 -1.95 0.00 0.00 55.36 54.61 2epk s GLN 593 Cb 0.18 -3.15 -0.04 0.00 -0.22 0.00 0.00 33.01 29.78 2epk s GLN 593 CO 0.64 0.47 1.22 -2.00 -0.25 0.00 0.00 175.29 175.37 2epk s GLU 594 N -1.41 4.36 0.14 2.91 2.12 -1.26 -5.02 118.70 120.54 2epk s GLU 594 Ca 0.42 1.73 -0.24 0.00 0.36 0.00 0.00 54.97 57.23 2epk s GLU 594 Cb -0.23 -3.52 -0.08 0.00 0.26 0.00 0.00 34.13 30.56 2epk s GLU 594 CO 0.28 -0.43 0.73 0.42 -0.54 0.00 0.00 175.26 175.73 2epk s ILE 595 N 2.02 4.45 0.34 -3.70 1.01 -1.26 -5.08 121.20 118.97 2epk s ILE 595 Ca 0.57 1.60 0.09 0.00 0.00 0.00 0.00 60.65 62.91 2epk s ILE 595 Cb -0.26 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 2epk s ILE 595 CO 0.24 0.53 0.05 -0.76 0.00 0.00 0.00 174.94 175.00 2epk s LEU 596 N -1.13 3.07 0.51 2.97 1.43 -1.26 -5.02 118.68 119.26 2epk s LEU 596 Ca 0.34 -0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 52.33 2epk s LEU 596 Cb -0.22 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 2epk s LEU 596 CO 0.25 -0.24 0.75 -2.65 0.23 0.00 0.00 176.35 174.69 2epk n PRO 597 N -1.01 0.83 -0.01 1.29 -0.02 -1.26 -4.78 135.00 130.04 2epk n PRO 597 Ca -0.04 0.31 -0.17 0.00 -2.02 0.00 0.00 63.50 61.58 2epk n PRO 597 Cb 0.62 -1.86 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 2epk n PRO 597 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2epk h PHE 598 N 0.73 0.29 -3.87 6.00 3.04 -1.95 -3.49 116.94 117.69 2epk h PHE 598 Ca -0.45 -0.20 -0.15 0.00 3.98 0.00 0.00 57.97 61.15 2epk h PHE 598 Cb 1.38 -0.01 -0.09 0.00 2.56 0.00 0.00 35.95 39.78 2epk h PHE 598 CO 0.37 1.14 -0.18 0.54 -2.02 0.00 0.00 178.31 178.16 2epk s ASN 599 N -6.59 0.26 -0.20 0.41 2.20 -1.26 -5.06 114.94 104.70 2epk s ASN 599 Ca -0.16 -1.17 0.12 0.00 -0.94 0.00 0.00 52.86 50.71 2epk s ASN 599 Cb -0.01 0.60 0.41 0.00 -2.00 0.00 0.00 41.25 40.25 2epk s ASN 599 CO 0.76 -1.18 1.23 -0.90 -2.94 0.00 0.00 177.10 174.07 2epk n ASP 600 N -0.75 1.88 -0.32 3.54 3.85 -1.26 -4.82 116.55 118.67 2epk n ASP 600 Ca -0.01 -3.77 0.05 0.00 -0.71 0.00 0.00 54.79 50.35 2epk n ASP 600 Cb 0.62 -0.52 0.21 0.00 -1.35 0.00 0.00 41.12 40.07 2epk n ASP 600 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2epk h PHE 601 N 0.86 0.95 -0.27 2.11 3.57 -1.97 -2.00 116.94 120.19 2epk h PHE 601 Ca 0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2epk h PHE 601 Cb 1.05 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.44 2epk h PHE 601 CO 0.67 0.36 -0.06 0.66 -2.23 0.00 0.00 178.31 177.71 2epk n TYR 602 N -4.72 0.89 -0.31 0.41 4.01 -1.26 -4.66 117.16 111.53 2epk n TYR 602 Ca 0.16 -1.29 -0.04 0.00 -0.16 0.00 0.00 57.90 56.58 2epk n TYR 602 Cb 0.34 -0.39 0.10 0.00 -0.31 0.00 0.00 39.34 39.08 2epk n TYR 602 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2epk h LYS 603 N 1.17 1.20 0.00 -0.72 3.64 -1.67 -2.20 116.57 118.00 2epk h LYS 603 Ca 0.12 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2epk h LYS 603 Cb 1.50 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2epk h LYS 603 CO 0.28 0.90 -0.26 -0.44 -2.27 0.00 0.00 179.45 177.66 2epk h ASP 604 N 1.20 0.00 0.53 4.20 3.32 -1.83 -2.01 116.42 121.83 2epk h ASP 604 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2epk h ASP 604 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2epk h ASP 604 CO -0.04 0.26 -0.28 0.00 -1.72 0.00 0.00 179.24 177.46 2epk n GLN 605 N -4.05 0.28 -1.50 3.56 3.00 -0.99 -4.96 117.38 112.72 2epk n GLN 605 Ca -0.02 -0.13 -0.05 0.00 -0.01 0.00 0.00 57.00 56.79 2epk n GLN 605 Cb 0.33 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.06 2epk n GLN 605 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2epk n GLY 606 N 1.43 0.53 3.84 1.08 0.00 -0.76 -5.02 105.19 106.29 2epk n GLY 606 Ca 0.09 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 2epk n GLY 606 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2epk s LEU 607 N -1.22 3.73 -0.14 0.99 1.43 -1.10 -5.00 118.68 117.37 2epk s LEU 607 Ca 0.00 1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 54.46 2epk s LEU 607 Cb 0.00 -4.46 -0.25 0.00 0.03 0.00 0.00 46.19 41.51 2epk s LEU 607 CO 0.00 -0.51 0.50 0.74 0.23 0.00 0.00 176.35 177.31 2epk h THR 608 N 1.19 1.10 -4.10 5.49 2.02 -1.91 -3.45 112.91 113.26 2epk h THR 608 Ca -0.47 -2.34 -0.47 0.00 0.77 0.00 0.00 66.41 63.91 2epk h THR 608 Cb 1.18 2.68 0.14 0.00 -1.74 0.00 0.00 68.15 70.41 2epk h THR 608 CO 0.62 0.60 0.26 0.00 0.37 0.00 0.00 175.52 177.36 2epk s ALA 609 N -2.41 1.53 0.00 6.16 0.00 -1.24 -4.30 121.76 121.49 2epk s ALA 609 Ca -0.22 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2epk s ALA 609 Cb 0.04 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2epk s ALA 609 CO 0.71 -2.40 0.00 -2.37 0.00 0.00 0.00 175.76 171.70 2epk n THR 610 N -3.88 0.00 -4.49 0.00 5.66 -1.26 -4.87 114.28 105.44 2epk n THR 610 Ca 0.06 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.73 2epk n THR 610 Cb 0.57 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.21 2epk n THR 610 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2epk s THR 611 N -2.51 3.16 -0.20 1.09 -1.32 -1.26 -3.05 115.64 111.56 2epk s THR 611 Ca 0.00 -0.60 -0.04 0.00 -1.21 0.00 0.00 61.69 59.83 2epk s THR 611 Cb 0.00 -2.36 0.08 0.00 -1.51 0.00 0.00 72.50 68.70 2epk s THR 611 CO 0.00 0.50 0.14 0.00 -2.21 0.00 0.00 174.62 173.05 2epk s ALA 612 N 0.68 0.18 -0.12 11.08 0.00 -1.26 -4.98 121.76 127.34 2epk s ALA 612 Ca -0.05 -0.19 0.16 0.00 0.00 0.00 0.00 51.96 51.87 2epk s ALA 612 Cb -0.15 -1.19 0.39 0.00 0.00 0.00 0.00 23.12 22.17 2epk s ALA 612 CO 0.02 -1.25 1.19 -1.71 0.00 0.00 0.00 175.76 174.01 2epk n ASN 613 N 5.29 1.43 -3.90 0.00 4.05 -1.26 -4.62 115.26 116.26 2epk n ASN 613 Ca -0.06 -3.10 -0.29 0.00 0.45 0.00 0.00 54.58 51.57 2epk n ASN 613 Cb 0.48 -0.43 -0.16 0.00 1.23 0.00 0.00 39.78 40.91 2epk n ASN 613 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2epk s GLN 614 N -1.95 1.47 0.21 1.20 -0.21 -1.26 -4.84 119.66 114.28 2epk s GLN 614 Ca 0.34 -0.76 -0.09 0.00 0.02 0.00 0.00 55.36 54.87 2epk s GLN 614 Cb 0.35 -2.34 0.28 0.00 1.00 0.00 0.00 33.01 32.31 2epk s GLN 614 CO -0.09 -0.54 1.75 2.35 -2.12 0.00 0.00 175.29 176.63 2epk h TRP 615 N 8.05 0.41 0.00 0.91 7.01 -1.92 -1.90 115.95 128.51 2epk h TRP 615 Ca -0.20 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.82 2epk h TRP 615 Cb 1.09 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 28.06 2epk h TRP 615 CO 0.45 0.10 -0.03 1.12 -2.79 0.00 0.00 178.44 177.30 2epk h HIS 616 N 0.42 0.00 0.00 2.65 2.07 -1.96 -1.10 115.15 117.23 2epk h HIS 616 Ca 0.31 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.76 2epk h HIS 616 Cb 0.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 2epk h HIS 616 CO -0.17 0.03 -1.24 1.28 -3.07 0.00 0.00 177.93 174.77 2epk n LEU 617 N -3.20 0.79 0.11 6.12 4.77 -0.75 -4.02 117.00 120.81 2epk n LEU 617 Ca -0.01 0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 56.06 2epk n LEU 617 Cb 0.22 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.16 2epk n LEU 617 CO 0.26 -0.05 -0.35 0.40 -1.33 0.00 0.00 177.39 176.32 2epk h ILE 618 N 0.00 1.16 -0.01 -0.08 2.04 -0.90 -3.39 117.51 116.33 2epk h ILE 618 Ca -0.07 -2.67 -0.16 0.00 1.00 0.00 0.00 64.86 62.96 2epk h ILE 618 Cb 1.23 2.90 -0.02 0.00 -0.74 0.00 0.00 36.82 40.19 2epk h ILE 618 CO 0.02 0.84 -0.74 0.00 0.00 0.00 0.00 178.15 178.26 2epk h ALA 619 N 0.21 0.75 -1.92 1.87 0.00 -1.40 -3.39 119.26 115.37 2epk h ALA 619 Ca -0.28 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 2epk h ALA 619 Cb 2.12 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 19.61 2epk h ALA 619 CO 0.22 0.89 0.29 -0.08 0.00 0.00 0.00 179.25 180.57 2epk s THR 620 N -3.37 0.00 -0.57 0.00 -1.32 -1.26 -4.27 115.64 104.85 2epk s THR 620 Ca -0.01 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.71 2epk s THR 620 Cb 0.12 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.29 2epk s THR 620 CO 0.79 0.00 1.49 0.00 -2.21 0.00 0.00 174.62 174.70 2epk h ALA 621 N 2.85 0.79 -2.36 11.08 0.00 -1.88 -3.42 119.26 126.33 2epk h ALA 621 Ca -0.25 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.18 2epk h ALA 621 Cb 1.15 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.08 2epk h ALA 621 CO 0.37 0.00 0.27 -1.12 0.00 0.00 0.00 179.25 178.76 2epk s SER 622 N -4.89 3.62 0.33 0.00 0.01 -1.26 -5.00 113.70 106.51 2epk s SER 622 Ca 0.07 1.40 -0.27 0.00 1.31 0.00 0.00 55.95 58.46 2epk s SER 622 Cb 0.11 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 64.16 2epk s SER 622 CO 0.68 -2.53 1.07 0.42 0.41 0.00 0.00 173.24 173.28 2epk s THR 623 N -3.00 3.63 0.00 1.44 -4.23 -1.26 -4.91 115.64 107.31 2epk s THR 623 Ca 0.63 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 62.60 2epk s THR 623 Cb -0.17 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.81 2epk s THR 623 CO 0.56 0.21 0.00 0.00 -0.54 0.00 0.00 174.62 174.85 2epk n ILE 624 N 0.65 0.00 -0.09 2.99 0.00 -1.26 -4.93 119.36 116.72 2epk n ILE 624 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 62.75 62.67 2epk n ILE 624 Cb 0.47 -0.10 -0.14 0.00 0.00 0.00 0.00 39.64 39.87 2epk n ILE 624 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2epk n TYR 625 N -1.38 0.00 1.84 9.51 0.53 -1.26 -5.24 117.16 121.16 2epk n TYR 625 Ca 0.00 0.00 0.15 0.00 -1.02 0.00 0.00 57.90 57.03 2epk n TYR 625 Cb 0.08 -0.90 0.82 0.00 -1.03 0.00 0.00 39.34 38.31 2epk n TYR 625 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09