#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 1.08 -3.05 1.61 7.64 -1.26 -5.05 113.62 114.59 1um1 n SER 2 Ca 0.00 0.18 0.04 0.00 1.01 0.00 0.00 58.87 60.10 1um1 n SER 2 Cb 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1um1 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1um1 s SER 3 N -5.28 -0.42 0.00 6.43 0.15 -1.26 -5.17 113.70 108.16 1um1 s SER 3 Ca -0.14 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1um1 s SER 3 Cb 0.02 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 1um1 s SER 3 CO 0.20 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1um1 n GLY 4 N 4.74 3.23 3.62 9.45 0.00 -1.26 -5.19 105.19 119.78 1um1 n GLY 4 Ca 0.08 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 1um1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1um1 s SER 5 N 0.00 -0.08 -0.06 1.61 0.15 -1.26 -5.08 113.70 108.98 1um1 s SER 5 Ca 0.00 -0.92 -0.13 0.00 0.70 0.00 0.00 55.95 55.61 1um1 s SER 5 Cb 0.00 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.94 1um1 s SER 5 CO 0.00 -1.18 0.30 -0.55 1.20 0.00 0.00 173.24 173.01 1um1 s SER 6 N -3.02 -0.24 0.00 5.45 0.15 -1.26 -5.17 113.70 109.62 1um1 s SER 6 Ca 0.21 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1um1 s SER 6 Cb -0.01 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1um1 s SER 6 CO 0.09 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1um1 n GLY 7 N 2.01 4.09 3.01 9.45 0.00 -1.26 -5.18 105.19 117.30 1um1 n GLY 7 Ca -0.18 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 1um1 n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1um1 s TYR 8 N -2.31 0.44 0.36 1.61 -0.85 -1.26 -5.08 117.35 110.26 1um1 s TYR 8 Ca 0.00 -0.46 0.03 0.00 -0.52 0.00 0.00 57.07 56.12 1um1 s TYR 8 Cb 0.00 -0.28 -0.02 0.00 0.38 0.00 0.00 41.96 42.05 1um1 s TYR 8 CO 0.00 -0.12 0.54 0.08 -1.52 0.00 0.00 175.55 174.53 1um1 s VAL 9 N -1.25 4.46 -0.17 -3.49 1.01 -1.26 -2.94 120.40 116.76 1um1 s VAL 9 Ca -0.11 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 1um1 s VAL 9 Cb -0.09 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.73 1um1 s VAL 9 CO -0.00 -0.34 0.44 0.72 0.00 0.00 0.00 175.10 175.92 1um1 s PHE 10 N -2.31 -0.51 0.50 5.22 -0.12 -0.53 -4.96 117.98 115.27 1um1 s PHE 10 Ca 0.43 1.21 -0.13 0.00 -0.05 0.00 0.00 56.93 58.39 1um1 s PHE 10 Cb -0.10 0.19 -0.07 0.00 -0.63 0.00 0.00 43.02 42.42 1um1 s PHE 10 CO 0.34 -0.26 0.93 0.99 -0.05 0.00 0.00 175.22 177.17 1um1 s THR 11 N 0.48 4.65 -0.17 -4.49 2.01 -1.26 -2.48 115.64 114.37 1um1 s THR 11 Ca -0.02 0.95 -0.03 0.00 0.31 0.00 0.00 61.69 62.89 1um1 s THR 11 Cb -0.04 -3.76 0.06 0.00 0.01 0.00 0.00 72.50 68.77 1um1 s THR 11 CO -0.02 -0.74 0.05 -0.69 -0.69 0.00 0.00 174.62 172.53 1um1 s VAL 12 N -2.66 0.29 -0.48 3.82 1.01 0.49 -4.95 120.40 117.91 1um1 s VAL 12 Ca 0.56 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 1um1 s VAL 12 Cb -0.10 -0.81 0.10 0.00 0.00 0.00 0.00 36.38 35.56 1um1 s VAL 12 CO 0.36 -0.19 0.40 -1.61 0.00 0.00 0.00 175.10 174.06 1um1 s GLU 13 N 1.97 2.84 0.20 2.72 2.02 -1.25 -0.60 118.70 126.59 1um1 s GLU 13 Ca 0.01 -1.55 0.06 0.00 0.02 0.00 0.00 54.97 53.51 1um1 s GLU 13 Cb -0.16 -4.09 -0.04 0.00 0.10 0.00 0.00 34.13 29.94 1um1 s GLU 13 CO -0.08 -1.13 0.14 -0.51 0.02 0.00 0.00 175.26 173.69 1um1 s LEU 14 N 1.55 3.74 -0.35 1.80 2.01 0.43 -4.89 118.68 122.97 1um1 s LEU 14 Ca 0.04 -0.21 -0.07 0.00 0.01 0.00 0.00 54.13 53.89 1um1 s LEU 14 Cb -0.26 -2.32 0.04 0.00 0.01 0.00 0.00 46.19 43.66 1um1 s LEU 14 CO 0.04 0.04 0.13 -0.70 1.01 0.00 0.00 176.35 176.87 1um1 s GLU 15 N -3.33 2.64 -0.62 1.70 2.12 -1.26 0.15 118.70 120.09 1um1 s GLU 15 Ca 0.31 -1.20 -0.37 0.00 0.36 0.00 0.00 54.97 54.08 1um1 s GLU 15 Cb -0.09 -3.53 -0.19 0.00 0.26 0.00 0.00 34.13 30.58 1um1 s GLU 15 CO 0.23 -0.70 2.17 -2.13 -0.54 0.00 0.00 175.26 174.29 1um1 n ARG 16 N 4.85 0.00 -0.54 4.30 0.63 -1.11 -4.73 116.66 120.05 1um1 n ARG 16 Ca -0.12 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.69 1um1 n ARG 16 Cb 0.45 -1.40 0.09 0.00 0.45 0.00 0.00 32.46 32.06 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 6.66 -2.11 0.00 5.14 0.00 -1.26 -4.82 105.19 108.80 1um1 n GLY 17 Ca 0.55 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.60 0.42 -0.02 1.61 -0.04 -1.26 -2.57 135.00 130.54 1um1 n PRO 18 Ca 0.06 0.06 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 1um1 n PRO 18 Cb 0.24 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.12 1um1 n PRO 18 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1um1 n SER 19 N -1.22 2.59 0.00 3.54 3.41 -1.26 -5.03 113.62 115.65 1um1 n SER 19 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1um1 n SER 19 Cb 0.16 1.23 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1um1 n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1um1 n GLY 20 N 2.07 0.68 7.00 5.00 0.00 -1.06 -4.97 105.19 113.92 1um1 n GLY 20 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.00 0.00 0.99 4.77 -1.26 -4.76 117.00 116.74 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 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 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 -1.80 2.87 -0.72 0.00 -1.26 -4.32 105.19 99.95 1um1 n GLY 22 Ca 0.00 0.64 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 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 1.12 -0.90 1.61 1.00 -1.26 -2.00 119.30 118.87 1um1 s MET 23 Ca 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 55.69 54.20 1um1 s MET 23 Cb 0.00 -2.52 -0.10 0.00 0.00 0.00 0.00 34.83 32.21 1um1 s MET 23 CO 0.00 -0.91 2.05 0.41 0.00 0.00 0.00 175.02 176.57 1um1 n GLY 24 N 4.61 2.97 3.76 -0.03 0.00 -0.86 -4.90 105.19 110.73 1um1 n GLY 24 Ca -0.01 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 0.79 4.43 0.06 0.99 1.43 -1.26 -1.39 118.68 123.73 1um1 s LEU 25 Ca 0.50 2.36 0.02 0.00 -1.03 0.00 0.00 54.13 55.98 1um1 s LEU 25 Cb 0.13 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1um1 s LEU 25 CO 0.04 -0.35 -0.08 -0.51 0.23 0.00 0.00 176.35 175.68 1um1 s ILE 26 N -1.24 0.61 -0.01 -0.59 2.07 -0.33 -4.91 121.20 116.79 1um1 s ILE 26 Ca 0.49 -1.32 -0.30 0.00 -1.41 0.00 0.00 60.65 58.10 1um1 s ILE 26 Cb -0.33 -0.92 -0.05 0.00 0.13 0.00 0.00 42.46 41.29 1um1 s ILE 26 CO 0.42 -0.51 1.43 -0.62 -1.91 0.00 0.00 174.94 173.75 1um1 s ASP 27 N -1.99 6.83 0.32 4.50 -1.08 -1.26 -1.66 116.67 122.32 1um1 s ASP 27 Ca -0.04 2.12 0.10 0.00 -0.52 0.00 0.00 52.55 54.21 1um1 s ASP 27 Cb -0.06 -2.56 0.91 0.00 -1.46 0.00 0.00 42.92 39.75 1um1 s ASP 27 CO -0.01 -0.75 1.71 1.23 0.52 0.00 0.00 175.17 177.87 1um1 h GLY 28 N 8.60 1.89 2.00 2.66 0.00 0.14 1.45 103.07 119.82 1um1 h GLY 28 Ca -0.38 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1um1 h GLY 28 CO 0.91 -0.30 0.00 -0.33 0.00 0.00 0.00 176.54 176.82 1um1 h MET 29 N 0.50 0.00 0.10 4.80 2.86 -1.32 -0.73 114.93 121.14 1um1 h MET 29 Ca 0.65 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.98 1um1 h MET 29 Cb 1.30 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 1um1 h MET 29 CO -0.51 0.00 -1.64 1.25 1.06 0.00 0.00 176.91 177.07 1um1 h HIS 30 N 0.00 0.37 -3.97 -0.22 2.76 0.17 -3.43 115.15 110.83 1um1 h HIS 30 Ca 0.00 -0.27 -0.49 0.00 -2.20 0.00 0.00 60.37 57.41 1um1 h HIS 30 Cb 0.07 -0.01 0.02 0.00 1.55 0.00 0.00 27.41 29.03 1um1 h HIS 30 CO 0.00 1.39 0.26 0.95 -1.30 0.00 0.00 177.93 179.23 1um1 s THR 31 N -2.60 4.67 0.51 6.26 -4.23 -0.31 -4.91 115.64 115.03 1um1 s THR 31 Ca -0.11 0.89 0.37 0.00 -1.18 0.00 0.00 61.69 61.66 1um1 s THR 31 Cb 0.07 -3.75 0.57 0.00 1.34 0.00 0.00 72.50 70.73 1um1 s THR 31 CO 0.83 -0.67 1.70 -0.74 -0.54 0.00 0.00 174.62 175.20 1um1 h HIS 32 N 0.90 0.20 -1.54 3.99 2.76 -1.71 0.59 115.15 120.34 1um1 h HIS 32 Ca -0.47 0.01 0.49 0.00 -2.20 0.00 0.00 60.37 58.20 1um1 h HIS 32 Cb 1.19 -0.05 -0.11 0.00 1.55 0.00 0.00 27.41 29.98 1um1 h HIS 32 CO 0.62 -0.04 1.04 1.25 -1.30 0.00 0.00 177.93 179.51 1um1 h LEU 33 N 0.07 0.14 1.13 0.26 5.85 -1.74 -3.43 115.31 117.59 1um1 h LEU 33 Ca 0.73 0.10 -0.26 0.00 0.84 0.00 0.00 57.88 59.29 1um1 h LEU 33 Cb 2.65 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 43.68 1um1 h LEU 33 CO -0.14 -0.15 -0.24 0.61 -0.34 0.00 0.00 178.44 178.18 1um1 n GLY 34 N -1.65 1.06 3.69 3.75 0.00 0.20 -4.92 105.19 107.32 1um1 n GLY 34 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.11 3.29 0.38 4.61 0.00 -1.23 -4.77 121.76 121.93 1um1 s ALA 35 Ca 0.00 -1.21 -0.25 0.00 0.00 0.00 0.00 51.96 50.50 1um1 s ALA 35 Cb 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 23.12 21.89 1um1 s ALA 35 CO 0.00 0.61 1.06 -1.25 0.00 0.00 0.00 175.76 176.18 1um1 s PRO 36 N -2.60 4.23 0.00 0.00 0.04 -1.26 -1.11 135.00 134.31 1um1 s PRO 36 Ca 0.27 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1um1 s PRO 36 Cb -0.11 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1um1 s PRO 36 CO 0.19 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1um1 n GLY 37 N 0.48 2.50 3.93 0.56 0.00 -1.26 -4.85 105.19 106.55 1um1 n GLY 37 Ca 0.04 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 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 4.34 0.03 0.99 1.43 -1.26 0.16 118.68 124.37 1um1 s LEU 38 Ca 0.00 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 1um1 s LEU 38 Cb 0.00 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.29 1um1 s LEU 38 CO 0.00 0.09 0.26 -0.31 0.23 0.00 0.00 176.35 176.62 1um1 s TYR 39 N -1.67 -0.05 0.17 0.29 1.51 -0.67 -2.35 117.35 114.59 1um1 s TYR 39 Ca 0.35 -0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 56.02 1um1 s TYR 39 Cb -0.12 0.04 -0.08 0.00 -0.11 0.00 0.00 41.96 41.70 1um1 s TYR 39 CO 0.28 -0.45 1.18 0.42 -1.11 0.00 0.00 175.55 175.86 1um1 s ILE 40 N -2.36 3.70 -0.03 2.71 1.01 0.22 -1.19 121.20 125.25 1um1 s ILE 40 Ca -0.06 1.41 0.01 0.00 0.00 0.00 0.00 60.65 62.00 1um1 s ILE 40 Cb -0.02 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1um1 s ILE 40 CO -0.02 0.21 -0.02 1.67 0.00 0.00 0.00 174.94 176.78 1um1 n GLN 41 N 2.66 0.58 -4.12 2.79 7.27 -0.49 0.13 117.38 126.21 1um1 n GLN 41 Ca 0.05 0.02 -0.12 0.00 0.07 0.00 0.00 57.00 57.02 1um1 n GLN 41 Cb 0.45 -1.06 -0.08 0.00 2.41 0.00 0.00 30.24 31.96 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 -2.06 0.00 -0.25 1.69 -4.23 -1.19 -4.77 115.64 104.83 1um1 s THR 42 Ca -0.04 -1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1um1 s THR 42 Cb 0.01 -2.40 0.11 0.00 1.34 0.00 0.00 72.50 71.56 1um1 s THR 42 CO 0.07 0.00 0.23 -0.76 -0.54 0.00 0.00 174.62 173.62 1um1 s LEU 43 N -3.13 -0.02 0.81 4.79 1.43 -1.26 -2.03 118.68 119.27 1um1 s LEU 43 Ca 0.32 -0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 1um1 s LEU 43 Cb 0.03 0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.48 1um1 s LEU 43 CO 0.12 -0.37 0.27 0.18 0.23 0.00 0.00 176.35 176.78 1um1 n LEU 44 N 5.30 -0.69 0.05 1.79 4.32 -0.85 -4.90 117.00 122.02 1um1 n LEU 44 Ca -0.04 0.47 -0.03 0.00 -0.02 0.00 0.00 56.01 56.38 1um1 n LEU 44 Cb 0.47 -1.13 -0.01 0.00 -1.62 0.00 0.00 43.42 41.13 1um1 n LEU 44 CO 0.04 -3.77 0.13 1.55 -1.22 0.00 0.00 177.39 174.13 1um1 h PRO 45 N -0.77 -0.18 -2.12 3.23 0.13 -1.96 -3.34 132.00 126.99 1um1 h PRO 45 Ca -0.44 0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.44 1um1 h PRO 45 Cb 1.33 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.44 1um1 h PRO 45 CO 0.37 -0.12 0.16 0.41 -0.23 0.00 0.00 178.00 178.59 1um1 n GLY 46 N 1.07 3.21 3.35 1.56 0.00 -1.26 -4.63 105.19 108.49 1um1 n GLY 46 Ca -0.02 -1.27 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 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 1.95 2.48 0.05 1.61 1.04 -1.25 -4.89 113.70 114.67 1um1 s SER 47 Ca 0.67 -1.07 -0.17 0.00 0.48 0.00 0.00 55.95 55.86 1um1 s SER 47 Cb 0.31 -0.12 -0.21 0.00 0.10 0.00 0.00 66.02 66.09 1um1 s SER 47 CO -0.02 -0.25 1.18 1.55 0.98 0.00 0.00 173.24 176.69 1um1 h PRO 48 N 2.52 0.57 -0.61 4.02 0.13 -1.85 -0.04 132.00 136.74 1um1 h PRO 48 Ca -0.38 -0.56 0.18 0.00 -0.87 0.00 0.00 66.00 64.37 1um1 h PRO 48 Cb 1.22 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 1um1 h PRO 48 CO 0.63 1.18 0.48 0.00 -0.23 0.00 0.00 178.00 180.06 1um1 h ALA 49 N 0.41 2.51 0.12 -0.56 0.00 -1.87 0.26 119.26 120.13 1um1 h ALA 49 Ca -0.08 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.45 1um1 h ALA 49 Cb 1.40 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1um1 h ALA 49 CO 0.15 -0.79 -1.97 0.00 0.00 0.00 0.00 179.25 176.63 1um1 n ALA 50 N -2.59 0.87 -0.21 0.00 0.00 -1.17 -4.03 120.51 113.38 1um1 n ALA 50 Ca 0.12 -0.58 0.01 0.00 0.00 0.00 0.00 53.44 52.99 1um1 n ALA 50 Cb 0.72 -0.69 0.12 0.00 0.00 0.00 0.00 19.45 19.60 1um1 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1um1 h ALA 51 N 0.06 0.82 -0.16 0.00 0.00 0.11 -1.92 119.26 118.16 1um1 h ALA 51 Ca -0.42 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1um1 h ALA 51 Cb 2.02 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.82 1um1 h ALA 51 CO 0.08 -0.22 -0.54 0.22 0.00 0.00 0.00 179.25 178.79 1um1 h ASP 52 N 0.39 -1.73 0.00 0.00 3.58 -0.76 -3.46 116.42 114.44 1um1 h ASP 52 Ca 0.33 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.98 1um1 h ASP 52 Cb 0.44 0.68 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1um1 h ASP 52 CO -0.34 -0.48 0.00 0.61 -2.88 0.00 0.00 179.24 176.15 1um1 n GLY 53 N -1.43 0.44 0.06 -0.78 0.00 -0.72 -4.96 105.19 97.79 1um1 n GLY 53 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 3.95 0.00 -5.65 1.61 9.65 -1.85 -3.46 114.38 118.64 1um1 h ARG 54 Ca 0.00 0.00 -0.70 0.00 -1.10 0.00 0.00 59.98 58.18 1um1 h ARG 54 Cb 0.00 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.53 1um1 h ARG 54 CO 0.00 0.00 1.35 1.28 2.80 0.00 0.00 179.97 185.40 1um1 n LEU 55 N -4.31 0.65 -4.83 3.80 4.32 -1.26 -4.88 117.00 110.49 1um1 n LEU 55 Ca -0.06 0.58 -0.22 0.00 -0.02 0.00 0.00 56.01 56.29 1um1 n LEU 55 Cb 0.22 -0.88 -0.04 0.00 -1.62 0.00 0.00 43.42 41.10 1um1 n LEU 55 CO 0.09 -0.74 -0.15 -0.44 -1.22 0.00 0.00 177.39 174.93 1um1 s SER 56 N 6.31 5.48 0.10 -1.43 0.01 -1.26 -4.89 113.70 118.02 1um1 s SER 56 Ca 1.19 -0.30 -0.30 0.00 1.31 0.00 0.00 55.95 57.84 1um1 s SER 56 Cb -1.41 -1.31 -0.06 0.00 0.21 0.00 0.00 66.02 63.44 1um1 s SER 56 CO 0.61 -0.11 1.21 -0.76 0.41 0.00 0.00 173.24 174.61 1um1 s LEU 57 N -3.88 4.39 0.00 2.44 1.43 -1.26 -2.63 118.68 119.17 1um1 s LEU 57 Ca 0.35 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1um1 s LEU 57 Cb -0.07 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1um1 s LEU 57 CO 0.25 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1um1 n GLY 58 N 2.97 3.25 3.04 -3.19 0.00 0.36 -4.62 105.19 106.99 1um1 n GLY 58 Ca 0.08 0.00 -0.36 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 -5.49 -3.97 1.61 9.92 -1.08 -4.15 116.55 113.39 1um1 n ASP 59 Ca 0.00 0.18 -0.29 0.00 -0.53 0.00 0.00 54.79 54.15 1um1 n ASP 59 Cb 0.00 -0.78 -0.16 0.00 -0.64 0.00 0.00 41.12 39.53 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 -2.15 1.95 0.44 -1.24 3.52 -1.25 0.72 118.95 120.94 1um1 s ARG 60 Ca 0.41 -0.52 -0.22 0.00 -0.13 0.00 0.00 55.73 55.28 1um1 s ARG 60 Cb -0.16 -2.01 -0.09 0.00 -1.56 0.00 0.00 34.95 31.13 1um1 s ARG 60 CO 0.80 -0.30 1.02 0.42 -0.81 0.00 0.00 175.30 176.44 1um1 s ILE 61 N 1.55 3.88 0.00 4.11 -1.09 -0.99 -1.93 121.20 126.73 1um1 s ILE 61 Ca 0.04 1.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.73 1um1 s ILE 61 Cb -0.14 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1um1 s ILE 61 CO -0.09 -0.15 0.00 0.18 -1.23 0.00 0.00 174.94 173.65 1um1 n LEU 62 N -0.53 1.46 -4.26 2.97 4.77 0.56 -4.52 117.00 117.45 1um1 n LEU 62 Ca 0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 1um1 n LEU 62 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1um1 n LEU 62 CO 0.41 0.20 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.67 1um1 s GLU 63 N -1.88 1.10 -0.14 3.23 2.02 -1.18 -1.93 118.70 119.91 1um1 s GLU 63 Ca 0.00 -1.48 -0.04 0.00 0.02 0.00 0.00 54.97 53.46 1um1 s GLU 63 Cb 0.00 -0.61 0.06 0.00 0.10 0.00 0.00 34.13 33.68 1um1 s GLU 63 CO 0.00 0.05 0.12 0.08 0.02 0.00 0.00 175.26 175.52 1um1 s VAL 64 N -3.35 -0.15 -1.78 2.63 1.01 -1.06 -1.20 120.40 116.49 1um1 s VAL 64 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1um1 s VAL 64 Cb 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1um1 s VAL 64 CO 0.02 -0.14 0.00 0.59 0.00 0.00 0.00 175.10 175.57 1um1 n ASN 65 N 5.30 -5.32 -0.07 3.32 3.02 0.50 -0.99 115.26 121.01 1um1 n ASN 65 Ca -0.06 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 1um1 n ASN 65 Cb 0.49 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 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 -0.51 0.84 2.97 7.41 0.00 -1.26 -4.89 105.19 109.76 1um1 n GLY 66 Ca -0.17 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.73 4.24 -0.10 1.61 0.15 -0.16 -5.08 113.70 111.63 1um1 s SER 67 Ca 0.00 -1.51 -0.41 0.00 0.70 0.00 0.00 55.95 54.74 1um1 s SER 67 Cb 0.00 -1.35 -0.19 0.00 -1.71 0.00 0.00 66.02 62.77 1um1 s SER 67 CO 0.00 -0.27 1.28 -1.54 1.20 0.00 0.00 173.24 173.90 1um1 n SER 68 N 4.53 0.73 -2.01 5.45 3.41 -1.26 -2.56 113.62 121.91 1um1 n SER 68 Ca -0.08 1.15 -0.25 0.00 -0.26 0.00 0.00 58.87 59.43 1um1 n SER 68 Cb 0.43 -0.98 0.08 0.00 -0.26 0.00 0.00 64.21 63.48 1um1 n SER 68 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1um1 n LEU 69 N 2.47 5.96 -4.32 1.04 4.77 -0.81 -4.85 117.00 121.26 1um1 n LEU 69 Ca 0.22 -4.36 -0.45 0.00 -0.03 0.00 0.00 56.01 51.39 1um1 n LEU 69 Cb 0.08 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 1um1 n LEU 69 CO 0.68 1.67 0.10 -0.76 -1.33 0.00 0.00 177.39 177.76 1um1 s LEU 70 N -3.62 6.02 0.00 2.23 1.43 -1.26 -4.27 118.68 119.21 1um1 s LEU 70 Ca 0.56 -1.68 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 1um1 s LEU 70 Cb 0.45 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1um1 s LEU 70 CO 0.02 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.41 1um1 n GLY 71 N 5.22 2.73 3.66 -3.19 0.00 -1.26 -5.06 105.19 107.29 1um1 n GLY 71 Ca -0.13 -0.86 -0.49 0.00 0.00 0.00 0.00 46.02 44.54 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 2.77 0.00 0.99 4.77 -1.26 -4.94 117.00 119.32 1um1 n LEU 72 Ca 0.00 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 1um1 n LEU 72 Cb 0.00 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1um1 n LEU 72 CO 0.00 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.24 1um1 n GLY 73 N 3.46 -3.09 0.13 -0.72 0.00 -1.26 -4.64 105.19 99.07 1um1 n GLY 73 Ca 0.19 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 1um1 n GLY 73 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1um1 h TYR 74 N -1.29 0.44 0.00 1.61 5.03 -1.98 -2.66 116.97 118.12 1um1 h TYR 74 Ca 0.00 -0.32 -0.04 0.00 2.58 0.00 0.00 58.73 60.95 1um1 h TYR 74 Cb 0.00 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 1um1 h TYR 74 CO 0.00 1.63 -0.21 -0.07 -1.32 0.00 0.00 178.16 178.19 1um1 h LEU 75 N 0.07 0.00 0.16 2.82 3.38 -1.98 0.12 115.31 119.88 1um1 h LEU 75 Ca -0.38 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.25 1um1 h LEU 75 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1um1 h LEU 75 CO 0.10 0.21 -1.69 0.03 0.09 0.00 0.00 178.44 177.19 1um1 h ARG 76 N 0.00 0.34 -0.14 1.13 2.47 -1.91 -2.85 114.38 113.43 1um1 h ARG 76 Ca -0.00 -0.58 -0.14 0.00 -1.26 0.00 0.00 59.98 58.00 1um1 h ARG 76 Cb 0.82 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1um1 h ARG 76 CO 0.03 1.24 -0.44 0.00 0.56 0.00 0.00 179.97 181.35 1um1 h ALA 77 N 0.25 0.24 -0.19 0.04 0.00 -1.37 -2.43 119.26 115.81 1um1 h ALA 77 Ca -0.31 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.13 1um1 h ALA 77 Cb 2.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 1um1 h ALA 77 CO 0.17 0.38 0.11 -0.24 0.00 0.00 0.00 179.25 179.67 1um1 h VAL 78 N 0.17 1.03 -0.33 0.00 3.04 -0.90 -2.44 116.25 116.83 1um1 h VAL 78 Ca -0.02 -0.08 0.07 0.00 -1.01 0.00 0.00 66.70 65.66 1um1 h VAL 78 Cb 1.07 0.77 -0.06 0.00 -2.01 0.00 0.00 31.29 31.05 1um1 h VAL 78 CO 0.09 0.04 -0.09 -0.78 -1.01 0.00 0.00 177.57 175.83 1um1 h ASP 79 N 0.24 -0.34 -0.57 3.17 3.58 -1.51 0.49 116.42 121.47 1um1 h ASP 79 Ca 0.07 0.10 0.06 0.00 0.42 0.00 0.00 57.03 57.68 1um1 h ASP 79 Cb -0.01 0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.17 1um1 h ASP 79 CO -0.03 -0.12 -0.52 -0.07 -2.88 0.00 0.00 179.24 175.62 1um1 h LEU 80 N -0.01 -1.79 -0.30 2.28 3.38 -0.96 1.11 115.31 119.02 1um1 h LEU 80 Ca 0.16 0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.40 1um1 h LEU 80 Cb 0.26 0.76 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1um1 h LEU 80 CO -0.35 -0.31 0.15 0.40 0.09 0.00 0.00 178.44 178.42 1um1 h ILE 81 N -0.23 0.99 -0.35 1.22 5.03 -1.06 -0.95 117.51 122.17 1um1 h ILE 81 Ca 0.10 -0.11 0.07 0.00 -0.12 0.00 0.00 64.86 64.80 1um1 h ILE 81 Cb 0.48 0.66 -0.09 0.00 -3.03 0.00 0.00 36.82 34.83 1um1 h ILE 81 CO -0.66 0.06 -0.32 0.03 -0.68 0.00 0.00 178.15 176.58 1um1 h ARG 82 N 0.31 -0.26 -1.24 2.37 3.08 0.25 0.28 114.38 119.17 1um1 h ARG 82 Ca 0.12 0.02 -0.36 0.00 0.07 0.00 0.00 59.98 59.83 1um1 h ARG 82 Cb 0.04 0.06 -0.18 0.00 0.08 0.00 0.00 29.97 29.98 1um1 h ARG 82 CO -0.09 -0.18 0.46 0.72 -1.07 0.00 0.00 179.97 179.82 1um1 n HIS 83 N -5.41 1.86 0.00 3.04 8.25 0.36 -4.87 115.22 118.45 1um1 n HIS 83 Ca 0.00 -1.82 0.00 0.00 -0.26 0.00 0.00 57.72 55.65 1um1 n HIS 83 Cb 0.33 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.55 1um1 n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1um1 n GLY 84 N -0.15 -3.28 3.84 -1.41 0.00 0.99 -4.94 105.19 100.24 1um1 n GLY 84 Ca 0.36 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 1um1 n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1um1 s GLY 85 N 0.00 -0.05 0.40 -0.02 0.00 -1.26 -5.01 107.32 101.38 1um1 s GLY 85 Ca 0.00 -0.30 0.25 0.00 0.00 0.00 0.00 44.72 44.67 1um1 s GLY 85 CO 0.00 -0.05 1.58 1.70 0.00 0.00 0.00 173.10 176.34 1um1 h LYS 86 N 2.00 0.02 -4.92 2.90 3.64 -1.94 -3.27 116.57 115.00 1um1 h LYS 86 Ca -0.22 -0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.49 1um1 h LYS 86 Cb 1.25 -0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.76 1um1 h LYS 86 CO 0.26 0.01 -0.73 0.15 -2.27 0.00 0.00 179.45 176.87 1um1 s LYS 87 N -5.43 3.02 -0.23 1.90 1.02 -1.26 -2.77 119.74 116.00 1um1 s LYS 87 Ca -0.08 -0.86 -0.05 0.00 0.02 0.00 0.00 55.97 55.00 1um1 s LYS 87 Cb 0.33 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1um1 s LYS 87 CO 0.80 -0.34 -0.00 -1.64 -0.92 0.00 0.00 175.35 173.24 1um1 s MET 88 N 1.39 3.48 0.01 1.68 -1.94 0.40 -4.94 119.30 119.37 1um1 s MET 88 Ca 0.02 -0.57 0.03 0.00 -1.71 0.00 0.00 55.69 53.46 1um1 s MET 88 Cb -0.16 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.53 1um1 s MET 88 CO -0.04 -0.18 -0.03 0.50 -0.01 0.00 0.00 175.02 175.26 1um1 s ARG 89 N 1.50 2.65 -0.09 2.03 3.52 -1.25 0.16 118.95 127.47 1um1 s ARG 89 Ca 0.06 -0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 1um1 s ARG 89 Cb -0.15 -2.58 0.04 0.00 -1.56 0.00 0.00 34.95 30.71 1um1 s ARG 89 CO -0.01 0.61 0.20 -0.06 -0.81 0.00 0.00 175.30 175.23 1um1 s PHE 90 N -1.06 -0.25 -0.80 5.12 0.08 0.23 0.19 117.98 121.48 1um1 s PHE 90 Ca 0.19 0.64 -0.15 0.00 0.12 0.00 0.00 56.93 57.72 1um1 s PHE 90 Cb -0.11 -0.01 0.19 0.00 -0.57 0.00 0.00 43.02 42.52 1um1 s PHE 90 CO 0.09 -0.20 0.81 -1.17 -0.10 0.00 0.00 175.22 174.66 1um1 s LEU 91 N 1.13 6.29 0.05 -0.37 2.96 -0.34 -0.38 118.68 128.02 1um1 s LEU 91 Ca -0.09 -2.40 0.02 0.00 -0.22 0.00 0.00 54.13 51.44 1um1 s LEU 91 Cb -0.10 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1um1 s LEU 91 CO -0.07 -0.73 0.09 0.54 -1.32 0.00 0.00 176.35 174.86 1um1 s VAL 92 N 0.95 4.67 -0.02 1.68 0.11 -1.04 0.21 120.40 126.96 1um1 s VAL 92 Ca 0.19 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.65 1um1 s VAL 92 Cb -0.12 -3.21 -0.03 0.00 -1.53 0.00 0.00 36.38 31.49 1um1 s VAL 92 CO -0.07 0.21 -0.04 0.00 -3.33 0.00 0.00 175.10 171.87 1um1 s ALA 93 N -1.33 3.12 -0.59 1.54 0.00 -0.81 -1.45 121.76 122.24 1um1 s ALA 93 Ca 0.27 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 51.02 1um1 s ALA 93 Cb -0.12 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1um1 s ALA 93 CO 0.20 0.61 1.75 0.15 0.00 0.00 0.00 175.76 178.47 1um1 s LYS 94 N -1.27 2.82 0.68 0.00 -0.14 -1.15 -3.89 119.74 116.79 1um1 s LYS 94 Ca 0.16 0.59 -0.01 0.00 -1.36 0.00 0.00 55.97 55.35 1um1 s LYS 94 Cb -0.11 -4.32 0.10 0.00 -1.68 0.00 0.00 37.83 31.81 1um1 s LYS 94 CO 0.06 -2.51 0.95 -1.12 -0.76 0.00 0.00 175.35 171.98 1um1 s SER 95 N 7.09 4.59 0.91 2.83 0.01 -1.26 -4.74 113.70 123.14 1um1 s SER 95 Ca 0.64 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.62 1um1 s SER 95 Cb -0.13 -0.36 0.20 0.00 0.21 0.00 0.00 66.02 65.93 1um1 s SER 95 CO 0.22 -1.68 1.25 -1.81 0.41 0.00 0.00 173.24 171.62 1um1 s ASP 96 N -4.64 3.29 0.08 2.44 1.01 -1.26 -5.00 116.67 112.60 1um1 s ASP 96 Ca 0.64 -0.01 -0.15 0.00 0.71 0.00 0.00 52.55 53.73 1um1 s ASP 96 Cb -0.07 -0.06 -0.14 0.00 1.01 0.00 0.00 42.92 43.67 1um1 s ASP 96 CO 0.43 -2.59 1.32 0.58 0.21 0.00 0.00 175.17 175.12 1um1 h VAL 97 N -1.39 1.31 -0.34 -1.27 2.07 -1.99 -3.26 116.25 111.39 1um1 h VAL 97 Ca -0.41 -1.75 0.07 0.00 0.82 0.00 0.00 66.70 65.43 1um1 h VAL 97 Cb 1.23 1.90 -0.08 0.00 -1.52 0.00 0.00 31.29 32.82 1um1 h VAL 97 CO 0.35 0.55 -0.38 -0.33 0.02 0.00 0.00 177.57 177.78 1um1 h GLU 98 N 0.38 -0.32 -1.03 1.57 5.08 -1.99 0.29 114.58 118.57 1um1 h GLU 98 Ca -0.01 0.02 0.35 0.00 -1.00 0.00 0.00 59.36 58.72 1um1 h GLU 98 Cb 1.13 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 1um1 h GLU 98 CO 0.11 -0.21 0.59 1.15 -1.00 0.00 0.00 179.01 179.65 1um1 h THR 99 N -0.33 0.24 -0.17 1.13 2.02 -1.94 1.09 112.91 114.96 1um1 h THR 99 Ca 0.14 -0.09 -0.17 0.00 0.77 0.00 0.00 66.41 67.06 1um1 h THR 99 Cb 0.57 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1um1 h THR 99 CO -0.52 0.05 -0.55 0.00 0.37 0.00 0.00 175.52 174.87 1um1 h ALA 100 N 1.85 0.29 -0.35 6.16 0.00 -0.63 -2.48 119.26 124.10 1um1 h ALA 100 Ca 0.76 -0.52 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1um1 h ALA 100 Cb 1.84 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.52 1um1 h ALA 100 CO -0.61 0.50 -0.21 0.87 0.00 0.00 0.00 179.25 179.81 1um1 h LYS 101 N 0.35 -0.15 -0.79 0.00 1.57 0.38 0.40 116.57 118.32 1um1 h LYS 101 Ca -0.02 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1um1 h LYS 101 Cb 1.17 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 1um1 h LYS 101 CO 0.12 -0.10 0.52 0.87 -0.57 0.00 0.00 179.45 180.29 1um1 h LYS 102 N -0.16 1.03 -0.12 3.15 1.57 -1.05 0.51 116.57 121.50 1um1 h LYS 102 Ca 0.17 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1um1 h LYS 102 Cb 0.43 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1um1 h LYS 102 CO -0.44 0.68 -0.07 0.82 -0.57 0.00 0.00 179.45 179.87 1um1 h ILE 103 N 1.06 1.13 -2.10 1.86 1.08 -0.12 -2.70 117.51 117.72 1um1 h ILE 103 Ca 0.29 -0.55 -0.18 0.00 -0.39 0.00 0.00 64.86 64.03 1um1 h ILE 103 Cb -0.11 1.12 -0.31 0.00 -3.07 0.00 0.00 36.82 34.45 1um1 h ILE 103 CO -0.06 0.17 -0.50 -1.38 -0.69 0.00 0.00 178.15 175.68 1um1 s HIS 104 N -4.86 -0.70 -0.10 1.37 -3.43 0.11 -4.81 115.29 102.88 1um1 s HIS 104 Ca -0.05 0.75 -0.04 0.00 -0.80 0.00 0.00 55.06 54.92 1um1 s HIS 104 Cb 0.16 -0.04 0.02 0.00 -1.43 0.00 0.00 32.58 31.28 1um1 s HIS 104 CO 0.71 -0.67 0.08 0.43 -2.00 0.00 0.00 174.74 173.30 1um1 n SER 105 N 5.36 -5.27 -4.55 7.38 7.64 -0.94 -4.35 113.62 118.88 1um1 n SER 105 Ca -0.04 1.05 -0.29 0.00 1.01 0.00 0.00 58.87 60.60 1um1 n SER 105 Cb 0.50 -3.17 -0.10 0.00 -1.01 0.00 0.00 64.21 60.43 1um1 n SER 105 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1um1 s GLY 106 N -0.58 1.75 1.03 0.23 0.00 -0.62 -4.45 107.32 104.68 1um1 s GLY 106 Ca -0.09 -1.33 -0.16 0.00 0.00 0.00 0.00 44.72 43.14 1um1 s GLY 106 CO 0.34 -1.32 1.19 2.56 0.00 0.00 0.00 173.10 175.87 1um1 s PRO 107 N -2.35 0.17 -0.20 2.90 0.04 -1.26 -4.95 135.00 129.35 1um1 s PRO 107 Ca 0.21 -0.07 -0.00 0.00 0.04 0.00 0.00 61.00 61.18 1um1 s PRO 107 Cb -0.10 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 32.73 1um1 s PRO 107 CO 0.13 -2.78 -0.04 -1.12 0.04 0.00 0.00 177.00 173.23 1um1 s SER 108 N -4.28 3.30 -0.27 6.66 0.01 -1.26 -5.03 113.70 112.82 1um1 s SER 108 Ca 0.70 -0.92 -0.07 0.00 1.31 0.00 0.00 55.95 56.97 1um1 s SER 108 Cb -0.09 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.14 1um1 s SER 108 CO 0.54 -0.22 0.07 -0.55 0.41 0.00 0.00 173.24 173.49 1um1 s SER 109 N 1.56 5.09 0.00 2.44 0.15 -1.26 -5.34 113.70 116.34 1um1 s SER 109 Ca -0.02 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1um1 s SER 109 Cb -0.17 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1um1 s SER 109 CO -0.07 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.87