#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um1 n SER 2 N 0.00 -3.04 -3.61 1.61 7.64 -1.26 -5.17 113.62 109.79 1um1 n SER 2 Ca 0.00 0.73 -0.01 0.00 1.01 0.00 0.00 58.87 60.60 1um1 n SER 2 Cb 0.00 2.91 -0.01 0.00 -1.01 0.00 0.00 64.21 66.10 1um1 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1um1 s SER 3 N -2.61 -0.08 0.00 6.43 0.01 -1.26 -5.18 113.70 111.01 1um1 s SER 3 Ca 0.00 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1um1 s SER 3 Cb 0.00 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1um1 s SER 3 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1um1 n GLY 4 N -0.31 4.31 3.60 3.44 0.00 -1.26 -5.19 105.19 109.79 1um1 n GLY 4 Ca -0.04 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.67 1um1 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1um1 s SER 5 N 0.00 -0.04 0.17 1.61 0.01 -1.26 -5.18 113.70 109.00 1um1 s SER 5 Ca 0.00 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.22 1um1 s SER 5 Cb 0.00 0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.28 1um1 s SER 5 CO 0.00 -0.17 -0.02 -0.55 0.41 0.00 0.00 173.24 172.91 1um1 s SER 6 N -2.79 1.38 -0.53 2.44 0.15 -1.26 -5.09 113.70 108.00 1um1 s SER 6 Ca 0.14 -1.13 0.07 0.00 0.70 0.00 0.00 55.95 55.72 1um1 s SER 6 Cb 0.05 0.08 0.28 0.00 -1.71 0.00 0.00 66.02 64.72 1um1 s SER 6 CO -0.05 -0.51 0.73 0.61 1.20 0.00 0.00 173.24 175.23 1um1 n GLY 7 N -0.24 4.37 3.33 9.45 0.00 -1.26 -4.98 105.19 115.87 1um1 n GLY 7 Ca -0.08 -2.35 -0.19 0.00 0.00 0.00 0.00 46.02 43.41 1um1 n GLY 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1um1 s TYR 8 N -2.38 1.68 0.26 1.61 6.14 -1.26 -5.10 117.35 118.31 1um1 s TYR 8 Ca 0.41 -0.57 0.08 0.00 0.64 0.00 0.00 57.07 57.63 1um1 s TYR 8 Cb 0.21 -0.80 -0.05 0.00 0.42 0.00 0.00 41.96 41.74 1um1 s TYR 8 CO -0.07 0.33 -0.10 0.08 0.64 0.00 0.00 175.55 176.42 1um1 s VAL 9 N -2.81 1.81 -0.07 3.14 1.01 -1.26 -2.79 120.40 119.43 1um1 s VAL 9 Ca 0.20 -2.19 -0.06 0.00 0.00 0.00 0.00 61.98 59.93 1um1 s VAL 9 Cb -0.02 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1um1 s VAL 9 CO 0.06 -0.39 0.18 0.72 0.00 0.00 0.00 175.10 175.68 1um1 s PHE 10 N -2.91 -0.21 0.35 5.22 -0.12 -0.88 -4.97 117.98 114.46 1um1 s PHE 10 Ca 0.28 0.52 -0.13 0.00 -0.05 0.00 0.00 56.93 57.54 1um1 s PHE 10 Cb 0.01 0.05 -0.08 0.00 -0.63 0.00 0.00 43.02 42.38 1um1 s PHE 10 CO 0.11 -0.12 0.74 0.99 -0.05 0.00 0.00 175.22 176.89 1um1 s THR 11 N 0.30 4.74 -0.20 -4.49 2.01 -1.26 -2.71 115.64 114.03 1um1 s THR 11 Ca -0.02 0.78 -0.01 0.00 0.31 0.00 0.00 61.69 62.75 1um1 s THR 11 Cb -0.03 -3.66 0.06 0.00 0.01 0.00 0.00 72.50 68.88 1um1 s THR 11 CO -0.01 -0.31 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.91 1um1 s VAL 12 N -2.12 0.94 -0.36 3.82 1.01 0.04 -4.97 120.40 118.76 1um1 s VAL 12 Ca 0.53 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1um1 s VAL 12 Cb -0.10 -1.30 0.07 0.00 0.00 0.00 0.00 36.38 35.04 1um1 s VAL 12 CO 0.23 -0.10 0.13 -1.61 0.00 0.00 0.00 175.10 173.75 1um1 s GLU 13 N 1.67 2.43 0.46 2.72 2.02 -1.26 -1.14 118.70 125.60 1um1 s GLU 13 Ca -0.02 -1.40 0.05 0.00 0.02 0.00 0.00 54.97 53.62 1um1 s GLU 13 Cb -0.17 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 1um1 s GLU 13 CO -0.07 -0.80 0.11 -0.51 0.02 0.00 0.00 175.26 174.00 1um1 s LEU 14 N 1.31 2.76 -0.16 1.80 1.43 0.09 -4.97 118.68 120.94 1um1 s LEU 14 Ca 0.01 -1.35 0.01 0.00 -1.03 0.00 0.00 54.13 51.77 1um1 s LEU 14 Cb -0.21 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 44.98 1um1 s LEU 14 CO 0.00 -0.67 -0.19 -0.70 0.23 0.00 0.00 176.35 175.02 1um1 s GLU 15 N -3.89 2.81 0.14 1.70 2.56 -1.26 -1.08 118.70 119.69 1um1 s GLU 15 Ca 0.28 -0.77 -0.28 0.00 0.00 0.00 0.00 54.97 54.21 1um1 s GLU 15 Cb 0.04 -2.38 -0.16 0.00 2.00 0.00 0.00 34.13 33.63 1um1 s GLU 15 CO 0.15 -0.14 0.59 -2.13 -0.56 0.00 0.00 175.26 173.17 1um1 n ARG 16 N 4.43 0.00 -1.61 4.30 0.63 -0.86 -4.81 116.66 118.74 1um1 n ARG 16 Ca -0.20 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.71 1um1 n ARG 16 Cb 0.51 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 32.40 1um1 n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1um1 n GLY 17 N 1.73 2.75 0.00 5.14 0.00 -1.26 -4.76 105.19 108.78 1um1 n GLY 17 Ca 0.17 -2.17 0.11 0.00 0.00 0.00 0.00 46.02 44.13 1um1 n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1um1 n PRO 18 N -0.77 0.26 0.00 1.61 -0.04 -1.26 -2.33 135.00 132.48 1um1 n PRO 18 Ca 0.00 0.08 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 1um1 n PRO 18 Cb 0.07 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.01 1um1 n PRO 18 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1um1 n SER 19 N -1.33 0.56 -0.72 3.54 7.64 -1.26 -5.01 113.62 117.04 1um1 n SER 19 Ca 0.10 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1um1 n SER 19 Cb 0.20 0.73 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 1um1 n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um1 n GLY 20 N 0.90 0.48 6.46 0.23 0.00 -0.98 -4.85 105.19 107.42 1um1 n GLY 20 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1um1 n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um1 n LEU 21 N -0.72 0.00 0.00 0.99 4.77 -1.26 -4.80 117.00 115.98 1um1 n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1um1 n LEU 21 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1um1 n LEU 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1um1 n GLY 22 N 0.00 -1.84 2.87 -0.72 0.00 -1.26 -4.34 105.19 99.91 1um1 n GLY 22 Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 46.02 46.68 1um1 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1um1 s MET 23 N 0.00 0.12 -1.18 1.61 1.00 -1.26 -2.92 119.30 116.66 1um1 s MET 23 Ca 0.00 0.53 -0.12 0.00 0.00 0.00 0.00 55.69 56.11 1um1 s MET 23 Cb 0.00 -0.44 0.21 0.00 0.00 0.00 0.00 34.83 34.61 1um1 s MET 23 CO 0.00 -0.39 1.33 0.41 0.00 0.00 0.00 175.02 176.37 1um1 n GLY 24 N 5.33 3.76 3.77 -0.03 0.00 -0.85 -4.95 105.19 112.22 1um1 n GLY 24 Ca -0.05 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.34 1um1 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 25 N 0.37 4.26 0.10 0.99 2.01 -1.26 0.52 118.68 125.67 1um1 s LEU 25 Ca 0.38 2.34 0.01 0.00 0.01 0.00 0.00 54.13 56.87 1um1 s LEU 25 Cb -0.05 -3.95 -0.04 0.00 0.01 0.00 0.00 46.19 42.16 1um1 s LEU 25 CO -0.03 -0.57 -0.05 -0.51 1.01 0.00 0.00 176.35 176.20 1um1 s ILE 26 N -1.38 0.64 -0.20 -0.59 2.07 0.55 -4.82 121.20 117.47 1um1 s ILE 26 Ca 0.55 -1.93 -0.25 0.00 -1.41 0.00 0.00 60.65 57.60 1um1 s ILE 26 Cb -0.31 -1.72 -0.01 0.00 0.13 0.00 0.00 42.46 40.55 1um1 s ILE 26 CO 0.39 -0.84 0.85 -0.62 -1.91 0.00 0.00 174.94 172.82 1um1 s ASP 27 N -3.04 6.93 0.58 4.50 -1.08 -1.26 -1.28 116.67 122.01 1um1 s ASP 27 Ca 0.13 1.15 0.34 0.00 -0.52 0.00 0.00 52.55 53.65 1um1 s ASP 27 Cb 0.06 -2.46 1.36 0.00 -1.46 0.00 0.00 42.92 40.42 1um1 s ASP 27 CO -0.04 -0.47 1.61 1.23 0.52 0.00 0.00 175.17 178.03 1um1 h GLY 28 N 8.72 0.00 1.10 2.66 0.00 0.29 1.17 103.07 117.00 1um1 h GLY 28 Ca -0.26 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.92 1um1 h GLY 28 CO 0.86 0.00 -0.35 -0.33 0.00 0.00 0.00 176.54 176.72 1um1 h MET 29 N 0.00 0.90 -0.14 4.80 2.86 -1.25 0.30 114.93 122.40 1um1 h MET 29 Ca 0.52 -0.47 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 1um1 h MET 29 Cb 2.51 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 34.17 1um1 h MET 29 CO -0.01 1.12 -0.29 0.45 1.06 0.00 0.00 176.91 179.24 1um1 h HIS 30 N 0.71 0.30 -4.11 -0.22 3.86 0.11 -3.37 115.15 112.42 1um1 h HIS 30 Ca 0.06 -0.06 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 1um1 h HIS 30 Cb 0.94 -0.07 0.04 0.00 1.06 0.00 0.00 27.41 29.38 1um1 h HIS 30 CO 0.06 0.54 0.32 0.95 0.86 0.00 0.00 177.93 180.66 1um1 s THR 31 N -4.39 4.71 0.54 2.45 -4.23 -0.83 -4.91 115.64 108.98 1um1 s THR 31 Ca -0.05 0.81 0.38 0.00 -1.18 0.00 0.00 61.69 61.65 1um1 s THR 31 Cb 0.14 -3.82 0.57 0.00 1.34 0.00 0.00 72.50 70.74 1um1 s THR 31 CO 0.76 -0.92 1.77 -0.74 -0.54 0.00 0.00 174.62 174.95 1um1 h HIS 32 N 0.25 0.04 -0.82 3.99 2.76 -1.68 0.32 115.15 120.00 1um1 h HIS 32 Ca -0.46 0.00 0.20 0.00 -2.20 0.00 0.00 60.37 57.91 1um1 h HIS 32 Cb 1.19 -0.01 -0.14 0.00 1.55 0.00 0.00 27.41 30.00 1um1 h HIS 32 CO 0.64 -0.00 0.02 1.25 -1.30 0.00 0.00 177.93 178.53 1um1 h LEU 33 N 0.02 -0.36 1.53 0.26 5.85 -1.71 -3.44 115.31 117.45 1um1 h LEU 33 Ca 0.62 0.22 -0.34 0.00 0.84 0.00 0.00 57.88 59.21 1um1 h LEU 33 Cb 2.44 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 43.76 1um1 h LEU 33 CO -0.03 -0.21 -0.37 0.61 -0.34 0.00 0.00 178.44 178.10 1um1 n GLY 34 N -1.44 0.77 3.59 3.75 0.00 0.11 -4.97 105.19 107.01 1um1 n GLY 34 Ca 0.16 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1um1 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1um1 s ALA 35 N -2.72 2.99 0.15 4.61 0.00 -0.98 -4.71 121.76 121.09 1um1 s ALA 35 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 1um1 s ALA 35 Cb 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 22.18 1um1 s ALA 35 CO 0.00 0.57 1.13 -1.25 0.00 0.00 0.00 175.76 176.21 1um1 s PRO 36 N -2.51 4.55 0.00 0.00 0.04 -1.26 -0.90 135.00 134.91 1um1 s PRO 36 Ca 0.23 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1um1 s PRO 36 Cb -0.10 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1um1 s PRO 36 CO 0.15 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1um1 n GLY 37 N 2.32 3.67 3.80 0.56 0.00 -1.26 -4.88 105.19 109.40 1um1 n GLY 37 Ca 0.04 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 1um1 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 38 N 0.00 3.95 0.10 0.99 2.01 -1.26 0.72 118.68 125.19 1um1 s LEU 38 Ca 0.00 0.14 -0.10 0.00 0.01 0.00 0.00 54.13 54.18 1um1 s LEU 38 Cb 0.00 -2.41 0.00 0.00 0.01 0.00 0.00 46.19 43.80 1um1 s LEU 38 CO 0.00 0.24 0.23 -0.31 1.01 0.00 0.00 176.35 177.52 1um1 s TYR 39 N -1.28 0.11 -0.10 0.29 1.51 -0.41 -1.69 117.35 115.79 1um1 s TYR 39 Ca 0.26 -0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 55.50 1um1 s TYR 39 Cb -0.12 -0.00 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 1um1 s TYR 39 CO 0.17 -0.59 1.24 0.42 -1.11 0.00 0.00 175.55 175.69 1um1 s ILE 40 N -3.86 4.23 -0.25 2.71 1.01 0.13 -0.33 121.20 124.84 1um1 s ILE 40 Ca 0.06 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1um1 s ILE 40 Cb 0.04 -3.99 -0.16 0.00 0.01 0.00 0.00 42.46 38.37 1um1 s ILE 40 CO -0.10 -0.06 -0.23 1.67 0.00 0.00 0.00 174.94 176.22 1um1 n GLN 41 N 5.79 0.61 -4.21 2.79 7.27 0.18 0.78 117.38 130.59 1um1 n GLN 41 Ca 0.12 0.16 -0.12 0.00 0.07 0.00 0.00 57.00 57.23 1um1 n GLN 41 Cb 0.45 -1.49 -0.10 0.00 2.41 0.00 0.00 30.24 31.51 1um1 n GLN 41 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1um1 s THR 42 N -2.49 0.13 -0.29 1.69 -4.23 -1.05 -4.80 115.64 104.59 1um1 s THR 42 Ca -0.34 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.17 1um1 s THR 42 Cb 0.09 -2.42 0.12 0.00 1.34 0.00 0.00 72.50 71.64 1um1 s THR 42 CO 0.56 -0.11 0.23 -0.76 -0.54 0.00 0.00 174.62 174.01 1um1 s LEU 43 N -3.16 0.04 0.76 4.79 1.43 -1.26 -2.01 118.68 119.26 1um1 s LEU 43 Ca 0.35 -0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 52.37 1um1 s LEU 43 Cb 0.07 0.20 -0.06 0.00 0.03 0.00 0.00 46.19 46.43 1um1 s LEU 43 CO 0.10 -0.41 0.24 0.18 0.23 0.00 0.00 176.35 176.70 1um1 n LEU 44 N 5.29 -0.84 0.00 1.79 4.32 -1.15 -4.90 117.00 121.51 1um1 n LEU 44 Ca -0.04 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 1um1 n LEU 44 Cb 0.45 -1.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 1um1 n LEU 44 CO 0.02 -3.80 0.10 -0.81 -1.22 0.00 0.00 177.39 171.68 1um1 n PRO 45 N -0.11 0.00 -0.82 3.23 -0.04 -1.26 -4.08 135.00 131.93 1um1 n PRO 45 Ca 0.08 0.34 -0.19 0.00 -0.04 0.00 0.00 63.50 63.69 1um1 n PRO 45 Cb 0.51 -0.96 -0.07 0.00 -0.04 0.00 0.00 33.50 32.94 1um1 n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1um1 n GLY 46 N 1.41 2.98 3.29 0.55 0.00 -1.26 -4.51 105.19 107.65 1um1 n GLY 46 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 1um1 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1um1 s SER 47 N 2.69 2.09 0.13 1.61 1.04 -1.26 -4.90 113.70 115.11 1um1 s SER 47 Ca 0.48 -1.03 -0.05 0.00 0.48 0.00 0.00 55.95 55.82 1um1 s SER 47 Cb 0.17 -0.06 -0.07 0.00 0.10 0.00 0.00 66.02 66.16 1um1 s SER 47 CO -0.02 -0.29 1.33 1.55 0.98 0.00 0.00 173.24 176.79 1um1 h PRO 48 N 2.67 0.47 -0.93 4.02 0.13 -1.87 0.26 132.00 136.76 1um1 h PRO 48 Ca -0.37 -0.46 0.08 0.00 -0.87 0.00 0.00 66.00 64.38 1um1 h PRO 48 Cb 1.20 0.12 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 1um1 h PRO 48 CO 0.63 1.11 0.58 0.00 -0.23 0.00 0.00 178.00 180.08 1um1 h ALA 49 N 0.74 1.32 0.00 -0.56 0.00 -1.87 0.30 119.26 119.19 1um1 h ALA 49 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1um1 h ALA 49 Cb 1.50 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1um1 h ALA 49 CO 0.16 0.28 -0.02 0.00 0.00 0.00 0.00 179.25 179.67 1um1 h ALA 50 N 1.46 -0.00 -1.09 0.00 0.00 -1.75 -3.27 119.26 114.61 1um1 h ALA 50 Ca 0.42 -0.49 0.30 0.00 0.00 0.00 0.00 54.91 55.14 1um1 h ALA 50 Cb 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 1um1 h ALA 50 CO -0.21 -0.00 0.69 0.00 0.00 0.00 0.00 179.25 179.73 1um1 h ALA 51 N 0.03 2.28 0.25 0.00 0.00 -0.57 0.71 119.26 121.96 1um1 h ALA 51 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1um1 h ALA 51 Cb 0.99 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1um1 h ALA 51 CO 0.00 -0.75 -0.51 0.22 0.00 0.00 0.00 179.25 178.21 1um1 h ASP 52 N 0.34 -1.50 0.00 0.00 1.82 -0.47 -3.47 116.42 113.14 1um1 h ASP 52 Ca 0.65 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 57.44 1um1 h ASP 52 Cb 1.70 0.54 0.00 0.00 0.68 0.00 0.00 39.33 42.25 1um1 h ASP 52 CO -0.35 -0.59 0.00 0.61 -1.61 0.00 0.00 179.24 177.30 1um1 n GLY 53 N -1.50 2.69 0.35 -0.78 0.00 0.24 -4.90 105.19 101.29 1um1 n GLY 53 Ca -0.10 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 1um1 n GLY 53 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1um1 h ARG 54 N 0.00 -0.12 -6.00 1.61 1.12 -1.86 -3.39 114.38 105.74 1um1 h ARG 54 Ca 0.00 0.01 -0.83 0.00 -1.11 0.00 0.00 59.98 58.05 1um1 h ARG 54 Cb 0.00 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 1um1 h ARG 54 CO 0.00 -0.08 0.96 1.28 -3.11 0.00 0.00 179.97 179.02 1um1 n LEU 55 N -4.84 1.02 -4.36 3.80 4.32 -1.26 -4.90 117.00 110.78 1um1 n LEU 55 Ca -0.00 0.97 -0.19 0.00 -0.02 0.00 0.00 56.01 56.77 1um1 n LEU 55 Cb 0.24 -0.89 -0.10 0.00 -1.62 0.00 0.00 43.42 41.04 1um1 n LEU 55 CO -0.08 -0.81 -0.41 -0.44 -1.22 0.00 0.00 177.39 174.43 1um1 s SER 56 N 4.31 2.55 0.15 -1.43 0.01 -1.26 -4.87 113.70 113.15 1um1 s SER 56 Ca 1.11 -1.07 -0.31 0.00 1.31 0.00 0.00 55.95 56.99 1um1 s SER 56 Cb -1.50 -0.13 -0.08 0.00 0.21 0.00 0.00 66.02 64.52 1um1 s SER 56 CO 0.75 -0.24 1.32 -0.76 0.41 0.00 0.00 173.24 174.72 1um1 s LEU 57 N -3.34 4.39 0.00 2.44 1.43 -1.26 -2.48 118.68 119.86 1um1 s LEU 57 Ca 0.24 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 1um1 s LEU 57 Cb 0.01 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1um1 s LEU 57 CO 0.08 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.70 1um1 n GLY 58 N 2.94 2.83 3.23 -3.19 0.00 0.23 -4.69 105.19 106.53 1um1 n GLY 58 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1um1 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1um1 n ASP 59 N 0.00 -3.78 -4.08 1.61 9.92 -1.04 -4.36 116.55 114.83 1um1 n ASP 59 Ca 0.00 0.47 -0.32 0.00 -0.53 0.00 0.00 54.79 54.41 1um1 n ASP 59 Cb 0.00 -0.92 -0.16 0.00 -0.64 0.00 0.00 41.12 39.40 1um1 n ASP 59 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1um1 s ARG 60 N -1.87 2.60 0.49 -1.24 3.52 -1.26 0.19 118.95 121.38 1um1 s ARG 60 Ca 0.53 -0.91 -0.20 0.00 -0.13 0.00 0.00 55.73 55.03 1um1 s ARG 60 Cb -0.34 -2.56 -0.08 0.00 -1.56 0.00 0.00 34.95 30.40 1um1 s ARG 60 CO 0.70 -0.32 1.02 0.42 -0.81 0.00 0.00 175.30 176.31 1um1 s ILE 61 N 1.29 3.94 0.00 4.11 -1.09 -0.68 -1.90 121.20 126.86 1um1 s ILE 61 Ca 0.01 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 1um1 s ILE 61 Cb -0.15 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1um1 s ILE 61 CO -0.10 -0.32 0.00 0.18 -1.23 0.00 0.00 174.94 173.47 1um1 n LEU 62 N -1.08 1.26 -4.29 2.97 4.77 0.53 -4.53 117.00 116.62 1um1 n LEU 62 Ca 0.09 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.91 1um1 n LEU 62 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1um1 n LEU 62 CO 0.40 0.15 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.65 1um1 s GLU 63 N -1.83 1.22 -0.18 3.23 2.02 -1.19 -0.48 118.70 121.48 1um1 s GLU 63 Ca 0.00 -1.58 -0.04 0.00 0.02 0.00 0.00 54.97 53.37 1um1 s GLU 63 Cb 0.00 -0.59 0.08 0.00 0.10 0.00 0.00 34.13 33.71 1um1 s GLU 63 CO 0.00 -0.03 0.17 0.08 0.02 0.00 0.00 175.26 175.50 1um1 s VAL 64 N -3.40 -0.23 -1.72 2.63 1.01 -0.90 -1.40 120.40 116.37 1um1 s VAL 64 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 1um1 s VAL 64 Cb 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1um1 s VAL 64 CO 0.05 -0.21 0.04 0.59 0.00 0.00 0.00 175.10 175.57 1um1 n ASN 65 N 5.30 -5.81 -1.20 3.32 3.02 0.51 -1.66 115.26 118.75 1um1 n ASN 65 Ca -0.06 -0.04 -0.05 0.00 -0.03 0.00 0.00 54.58 54.40 1um1 n ASN 65 Cb 0.49 -4.81 0.02 0.00 -0.61 0.00 0.00 39.78 34.87 1um1 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1um1 n GLY 66 N -1.05 0.62 2.82 7.41 0.00 -1.26 -4.93 105.19 108.79 1um1 n GLY 66 Ca -0.23 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 1um1 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1um1 s SER 67 N -3.07 3.19 -0.27 1.61 0.15 -0.66 -5.09 113.70 109.56 1um1 s SER 67 Ca 0.13 -0.91 -0.43 0.00 0.70 0.00 0.00 55.95 55.44 1um1 s SER 67 Cb -0.06 -0.81 -0.19 0.00 -1.71 0.00 0.00 66.02 63.24 1um1 s SER 67 CO 0.16 -0.27 1.41 -1.54 1.20 0.00 0.00 173.24 174.20 1um1 n SER 68 N 4.91 0.90 -0.11 5.45 3.41 -1.26 -2.13 113.62 124.79 1um1 n SER 68 Ca -0.10 1.17 -0.21 0.00 -0.26 0.00 0.00 58.87 59.46 1um1 n SER 68 Cb 0.46 -0.94 -0.08 0.00 -0.26 0.00 0.00 64.21 63.39 1um1 n SER 68 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1um1 n LEU 69 N 3.14 1.96 -4.32 1.04 7.94 0.37 -4.66 117.00 122.48 1um1 n LEU 69 Ca 0.26 0.17 -0.58 0.00 -1.11 0.00 0.00 56.01 54.75 1um1 n LEU 69 Cb 0.02 -0.68 -0.11 0.00 0.53 0.00 0.00 43.42 43.19 1um1 n LEU 69 CO 0.77 0.57 1.73 0.18 -1.11 0.00 0.00 177.39 179.54 1um1 n LEU 70 N -3.75 1.16 0.00 -1.96 4.77 -1.05 0.72 117.00 116.89 1um1 n LEU 70 Ca -0.42 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1um1 n LEU 70 Cb 0.84 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1um1 n LEU 70 CO 0.08 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 175.99 1um1 n GLY 71 N 7.14 3.01 3.60 -0.72 0.00 -1.26 -5.03 105.19 111.93 1um1 n GLY 71 Ca 0.50 -0.80 -0.59 0.00 0.00 0.00 0.00 46.02 45.14 1um1 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um1 n LEU 72 N 0.00 0.97 -4.53 0.99 4.77 0.22 -4.75 117.00 114.67 1um1 n LEU 72 Ca 0.00 1.15 -0.47 0.00 -0.03 0.00 0.00 56.01 56.66 1um1 n LEU 72 Cb 0.00 -1.01 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 1um1 n LEU 72 CO 0.00 -1.28 0.44 0.61 -1.33 0.00 0.00 177.39 175.83 1um1 n GLY 73 N 2.64 -0.61 0.33 -0.72 0.00 -1.26 -4.46 105.19 101.11 1um1 n GLY 73 Ca 0.23 0.39 0.05 0.00 0.00 0.00 0.00 46.02 46.69 1um1 n GLY 73 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1um1 n TYR 74 N 0.49 0.29 0.26 1.61 4.19 -1.26 0.33 117.16 123.07 1um1 n TYR 74 Ca 0.14 1.10 -0.17 0.00 3.31 0.00 0.00 57.90 62.28 1um1 n TYR 74 Cb 0.27 -1.00 -0.09 0.00 0.49 0.00 0.00 39.34 39.02 1um1 n TYR 74 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1um1 h LEU 75 N 0.00 -1.19 -0.87 2.98 3.38 -1.99 0.14 115.31 117.77 1um1 h LEU 75 Ca 0.42 0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.71 1um1 h LEU 75 Cb 0.64 0.40 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 1um1 h LEU 75 CO -0.92 -0.59 0.28 0.03 0.09 0.00 0.00 178.44 177.33 1um1 h ARG 76 N -0.88 0.27 -0.56 1.13 2.47 -0.44 0.94 114.38 117.31 1um1 h ARG 76 Ca -0.04 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 1um1 h ARG 76 Cb 0.78 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 29.01 1um1 h ARG 76 CO -0.07 0.18 0.29 0.00 0.56 0.00 0.00 179.97 180.93 1um1 h ALA 77 N 1.74 0.72 -0.03 0.04 0.00 0.07 0.10 119.26 121.89 1um1 h ALA 77 Ca 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1um1 h ALA 77 Cb 1.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1um1 h ALA 77 CO -0.59 0.26 0.01 0.28 0.00 0.00 0.00 179.25 179.21 1um1 h VAL 78 N 0.75 1.17 -0.65 0.00 2.07 0.29 -2.77 116.25 117.11 1um1 h VAL 78 Ca 0.19 -0.50 0.12 0.00 0.82 0.00 0.00 66.70 67.33 1um1 h VAL 78 Cb 0.08 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 1um1 h VAL 78 CO -0.03 0.14 0.19 -0.78 0.02 0.00 0.00 177.57 177.11 1um1 h ASP 79 N -0.14 0.11 -0.44 0.57 3.58 0.86 0.85 116.42 121.81 1um1 h ASP 79 Ca 0.01 0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.64 1um1 h ASP 79 Cb 0.21 0.12 -0.09 0.00 1.72 0.00 0.00 39.33 41.29 1um1 h ASP 79 CO -0.00 0.05 -0.40 -0.07 -2.88 0.00 0.00 179.24 175.94 1um1 h LEU 80 N 0.33 -1.34 -0.30 2.28 3.38 -0.71 0.28 115.31 119.24 1um1 h LEU 80 Ca 0.34 0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.48 1um1 h LEU 80 Cb 0.50 0.60 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1um1 h LEU 80 CO -0.39 -0.35 0.00 0.40 0.09 0.00 0.00 178.44 178.19 1um1 h ILE 81 N -0.29 1.26 -0.77 1.22 5.03 -0.98 -2.98 117.51 119.99 1um1 h ILE 81 Ca 0.16 -0.93 0.14 0.00 -0.12 0.00 0.00 64.86 64.11 1um1 h ILE 81 Cb 0.57 1.28 -0.14 0.00 -3.03 0.00 0.00 36.82 35.50 1um1 h ILE 81 CO -0.59 0.30 -0.27 0.03 -0.68 0.00 0.00 178.15 176.94 1um1 h ARG 82 N 0.32 -0.05 -1.24 2.37 3.08 0.24 1.30 114.38 120.40 1um1 h ARG 82 Ca 0.08 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.79 1um1 h ARG 82 Cb 0.43 0.01 -0.17 0.00 0.08 0.00 0.00 29.97 30.32 1um1 h ARG 82 CO 0.01 -0.03 0.44 0.72 -1.07 0.00 0.00 179.97 180.05 1um1 n HIS 83 N -5.49 1.80 -4.03 3.04 8.25 0.82 -4.77 115.22 114.83 1um1 n HIS 83 Ca 0.09 -1.76 -0.31 0.00 -0.26 0.00 0.00 57.72 55.48 1um1 n HIS 83 Cb 0.39 -0.87 -0.15 0.00 1.12 0.00 0.00 29.99 30.48 1um1 n HIS 83 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1um1 s GLY 84 N -0.23 1.77 0.38 -1.41 0.00 0.45 -5.00 107.32 103.28 1um1 s GLY 84 Ca 0.35 -2.13 0.04 0.00 0.00 0.00 0.00 44.72 42.98 1um1 s GLY 84 CO 0.02 0.81 0.14 -0.32 0.00 0.00 0.00 173.10 173.76 1um1 s GLY 85 N 1.03 2.48 0.00 0.20 0.00 -1.26 -4.88 107.32 104.88 1um1 s GLY 85 Ca 0.02 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1um1 s GLY 85 CO -0.07 -1.76 0.00 0.28 0.00 0.00 0.00 173.10 171.54 1um1 n LYS 86 N -0.83 0.00 -4.03 2.90 5.02 -1.26 -4.41 118.16 115.56 1um1 n LYS 86 Ca -0.04 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 1um1 n LYS 86 Cb 0.65 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.51 1um1 n LYS 86 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1um1 s LYS 87 N 0.00 2.92 -0.18 1.97 1.02 -1.26 -2.02 119.74 122.19 1um1 s LYS 87 Ca 0.00 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.10 1um1 s LYS 87 Cb 0.00 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1um1 s LYS 87 CO 0.00 -0.31 -0.19 -1.64 -0.92 0.00 0.00 175.35 172.29 1um1 s MET 88 N 1.31 3.01 0.03 1.68 -1.94 -0.24 -4.95 119.30 118.20 1um1 s MET 88 Ca 0.02 -0.82 0.06 0.00 -1.71 0.00 0.00 55.69 53.24 1um1 s MET 88 Cb -0.15 -2.60 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 1um1 s MET 88 CO -0.08 -0.21 -0.16 0.50 -0.01 0.00 0.00 175.02 175.05 1um1 s ARG 89 N 1.30 2.15 -0.06 2.03 3.52 -1.26 -0.73 118.95 125.90 1um1 s ARG 89 Ca 0.05 -0.94 -0.05 0.00 -0.13 0.00 0.00 55.73 54.66 1um1 s ARG 89 Cb -0.13 -2.23 0.02 0.00 -1.56 0.00 0.00 34.95 31.04 1um1 s ARG 89 CO -0.12 0.55 0.16 -0.06 -0.81 0.00 0.00 175.30 175.02 1um1 s PHE 90 N -0.93 -0.18 -0.78 5.12 0.08 -0.29 0.19 117.98 121.20 1um1 s PHE 90 Ca 0.15 0.44 -0.11 0.00 0.12 0.00 0.00 56.93 57.53 1um1 s PHE 90 Cb -0.11 0.05 0.20 0.00 -0.57 0.00 0.00 43.02 42.60 1um1 s PHE 90 CO 0.05 -0.09 0.68 -1.17 -0.10 0.00 0.00 175.22 174.60 1um1 s LEU 91 N 0.18 6.36 -0.13 -0.37 2.96 -0.50 -0.78 118.68 126.41 1um1 s LEU 91 Ca -0.01 -2.75 -0.05 0.00 -0.22 0.00 0.00 54.13 51.11 1um1 s LEU 91 Cb -0.02 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1um1 s LEU 91 CO -0.00 -0.51 0.03 0.54 -1.32 0.00 0.00 176.35 175.08 1um1 s VAL 92 N 0.08 4.53 0.78 1.68 0.11 -1.10 0.20 120.40 126.68 1um1 s VAL 92 Ca 0.18 -0.14 -0.07 0.00 -2.93 0.00 0.00 61.98 59.01 1um1 s VAL 92 Cb -0.13 -2.97 0.17 0.00 -1.53 0.00 0.00 36.38 31.92 1um1 s VAL 92 CO -0.07 0.54 1.06 0.00 -3.33 0.00 0.00 175.10 173.30 1um1 n ALA 93 N 2.79 -0.59 -2.78 1.54 0.00 -0.80 -2.06 120.51 118.61 1um1 n ALA 93 Ca -0.18 -1.69 -0.43 0.00 0.00 0.00 0.00 53.44 51.15 1um1 n ALA 93 Cb 0.53 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 1um1 n ALA 93 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1um1 s LYS 94 N -5.25 3.17 0.94 0.00 -0.14 -1.12 -4.40 119.74 112.94 1um1 s LYS 94 Ca 0.65 -0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 54.38 1um1 s LYS 94 Cb -0.03 -4.29 0.16 0.00 -1.68 0.00 0.00 37.83 31.99 1um1 s LYS 94 CO 0.44 -1.90 1.09 -1.12 -0.76 0.00 0.00 175.35 173.10 1um1 s SER 95 N 3.73 3.10 0.23 2.83 0.01 -1.26 -4.97 113.70 117.38 1um1 s SER 95 Ca 0.26 1.33 0.11 0.00 1.31 0.00 0.00 55.95 58.96 1um1 s SER 95 Cb -0.14 -2.00 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 1um1 s SER 95 CO 0.10 -2.85 -0.18 -1.81 0.41 0.00 0.00 173.24 168.90 1um1 s ASP 96 N -3.47 3.71 0.14 2.44 1.01 -1.26 -5.02 116.67 114.22 1um1 s ASP 96 Ca 0.64 -0.88 -0.29 0.00 0.71 0.00 0.00 52.55 52.74 1um1 s ASP 96 Cb -0.18 -0.39 -0.05 0.00 1.01 0.00 0.00 42.92 43.31 1um1 s ASP 96 CO 0.57 0.07 1.58 1.62 0.21 0.00 0.00 175.17 179.22 1um1 h VAL 97 N 2.63 0.12 -0.51 -1.27 3.04 -1.97 -0.34 116.25 117.95 1um1 h VAL 97 Ca -0.44 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.33 1um1 h VAL 97 Cb 1.23 0.12 -0.10 0.00 -2.01 0.00 0.00 31.29 30.54 1um1 h VAL 97 CO 0.55 0.00 -0.46 -0.33 -1.01 0.00 0.00 177.57 176.32 1um1 h GLU 98 N -0.45 -0.27 -0.72 4.17 4.39 -1.98 0.75 114.58 120.47 1um1 h GLU 98 Ca 0.09 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.97 1um1 h GLU 98 Cb 0.62 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.21 1um1 h GLU 98 CO -0.45 -0.18 0.04 1.15 -1.16 0.00 0.00 179.01 178.41 1um1 h THR 99 N -0.28 0.41 -0.20 1.13 2.02 -1.71 0.15 112.91 114.43 1um1 h THR 99 Ca 0.15 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1um1 h THR 99 Cb 0.57 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1um1 h THR 99 CO -0.65 0.02 0.08 0.00 0.37 0.00 0.00 175.52 175.34 1um1 h ALA 100 N 1.65 0.26 -0.66 6.16 0.00 0.93 -2.18 119.26 125.41 1um1 h ALA 100 Ca 0.39 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.30 1um1 h ALA 100 Cb 0.67 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 1um1 h ALA 100 CO -0.60 -0.15 -0.32 0.87 0.00 0.00 0.00 179.25 179.05 1um1 h LYS 101 N 0.16 -0.12 -0.98 0.00 1.57 0.30 0.99 116.57 118.49 1um1 h LYS 101 Ca 0.07 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1um1 h LYS 101 Cb 0.18 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 1um1 h LYS 101 CO -0.00 -0.08 0.63 0.87 -0.57 0.00 0.00 179.45 180.29 1um1 h LYS 102 N -0.12 1.07 0.00 3.15 1.57 -0.94 0.29 116.57 121.59 1um1 h LYS 102 Ca 0.26 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1um1 h LYS 102 Cb 0.56 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1um1 h LYS 102 CO -0.73 0.71 -0.21 0.82 -0.57 0.00 0.00 179.45 179.48 1um1 h ILE 103 N 1.11 0.93 -3.23 1.86 1.08 0.13 -2.54 117.51 116.84 1um1 h ILE 103 Ca 0.44 -0.77 -0.57 0.00 -0.39 0.00 0.00 64.86 63.56 1um1 h ILE 103 Cb 0.24 1.44 -0.04 0.00 -3.07 0.00 0.00 36.82 35.39 1um1 h ILE 103 CO -0.19 0.20 -0.04 -2.28 -0.69 0.00 0.00 178.15 175.15 1um1 s HIS 104 N -4.32 3.81 -0.19 1.37 2.46 0.22 -4.86 115.29 113.78 1um1 s HIS 104 Ca -0.03 1.27 -0.07 0.00 0.47 0.00 0.00 55.06 56.70 1um1 s HIS 104 Cb 0.14 -2.49 -0.04 0.00 -0.13 0.00 0.00 32.58 30.06 1um1 s HIS 104 CO 0.66 0.59 0.05 -1.12 -2.47 0.00 0.00 174.74 172.45 1um1 s SER 105 N -1.11 5.45 -0.19 9.88 0.01 -1.26 -4.86 113.70 121.62 1um1 s SER 105 Ca 0.29 0.01 -0.23 0.00 1.31 0.00 0.00 55.95 57.33 1um1 s SER 105 Cb -0.19 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 1um1 s SER 105 CO 0.19 0.13 0.71 -0.83 0.41 0.00 0.00 173.24 173.86 1um1 s GLY 106 N 0.60 2.03 -0.04 3.44 0.00 -1.26 -5.02 107.32 107.07 1um1 s GLY 106 Ca 0.03 -0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.28 1um1 s GLY 106 CO 0.01 1.48 1.21 2.56 0.00 0.00 0.00 173.10 178.36 1um1 s PRO 107 N 2.09 4.36 -0.11 2.90 0.04 -1.26 -5.00 135.00 138.02 1um1 s PRO 107 Ca 0.32 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 1um1 s PRO 107 Cb -0.16 -3.54 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 1um1 s PRO 107 CO 0.11 -0.43 0.84 -1.54 0.04 0.00 0.00 177.00 176.01 1um1 s SER 108 N 1.46 7.05 -0.20 6.66 1.04 -1.26 -4.96 113.70 123.49 1um1 s SER 108 Ca 0.57 1.29 -0.34 0.00 0.48 0.00 0.00 55.95 57.94 1um1 s SER 108 Cb -0.26 -2.47 -0.11 0.00 0.10 0.00 0.00 66.02 63.29 1um1 s SER 108 CO 0.23 -0.31 2.03 -1.20 0.98 0.00 0.00 173.24 174.97 1um1 n SER 109 N 4.63 2.96 0.00 7.02 7.64 -1.26 -5.35 113.62 129.25 1um1 n SER 109 Ca 0.04 0.67 0.09 0.00 1.01 0.00 0.00 58.87 60.68 1um1 n SER 109 Cb 0.50 -1.36 0.53 0.00 -1.01 0.00 0.00 64.21 62.87 1um1 n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64