#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 0.00 -3.59 1.61 2.88 -1.26 -5.16 113.62 108.10 1um1 n SER 2 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1um1 n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1um1 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1um1 s SER 3 N 0.00 -0.95 0.00 -3.46 0.15 -1.26 -5.14 113.70 103.04 1um1 s SER 3 Ca 0.00 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1um1 s SER 3 Cb 0.00 1.98 0.00 0.00 -1.71 0.00 0.00 66.02 66.29 1um1 s SER 3 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1um1 n GLY 4 N 5.10 3.79 2.08 9.45 0.00 -1.26 -5.12 105.19 119.23 1um1 n GLY 4 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1um1 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1um1 n SER 5 N 0.00 -1.44 -2.77 1.61 2.88 -1.26 -5.13 113.62 107.51 1um1 n SER 5 Ca 0.00 0.50 -0.03 0.00 -1.33 0.00 0.00 58.87 58.01 1um1 n SER 5 Cb 0.00 1.49 -0.03 0.00 -0.75 0.00 0.00 64.21 64.93 1um1 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1um1 n SER 6 N -3.22 -3.86 -0.54 -3.46 7.64 -1.26 -5.04 113.62 103.89 1um1 n SER 6 Ca 0.00 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1um1 n SER 6 Cb 0.00 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 58.94 1um1 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um1 n GLY 7 N 1.65 0.77 3.19 0.23 0.00 -1.26 -5.13 105.19 104.64 1um1 n GLY 7 Ca -0.22 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.53 1.24 0.24 1.61 -0.85 -1.26 -5.08 117.35 110.72 1um1 s TYR 8 Ca 0.00 -0.50 0.05 0.00 -0.52 0.00 0.00 57.07 56.10 1um1 s TYR 8 Cb 0.00 -0.68 -0.03 0.00 0.38 0.00 0.00 41.96 41.63 1um1 s TYR 8 CO 0.00 0.07 0.36 0.08 -1.52 0.00 0.00 175.55 174.54 1um1 s VAL 9 N -1.57 5.20 -0.09 -3.49 1.01 -1.26 -3.05 120.40 117.15 1um1 s VAL 9 Ca 0.01 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 1um1 s VAL 9 Cb -0.08 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1um1 s VAL 9 CO 0.02 -0.32 0.25 0.72 0.00 0.00 0.00 175.10 175.76 1um1 s PHE 10 N -1.99 -0.28 0.51 5.22 -0.12 -0.58 -4.96 117.98 115.79 1um1 s PHE 10 Ca 0.34 0.67 -0.05 0.00 -0.05 0.00 0.00 56.93 57.84 1um1 s PHE 10 Cb -0.09 0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.36 1um1 s PHE 10 CO 0.29 -0.14 0.82 0.99 -0.05 0.00 0.00 175.22 177.13 1um1 s THR 11 N 0.24 4.57 -0.16 -4.49 2.01 -1.26 -2.49 115.64 114.06 1um1 s THR 11 Ca -0.01 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 1um1 s THR 11 Cb -0.03 -3.75 0.07 0.00 0.01 0.00 0.00 72.50 68.80 1um1 s THR 11 CO -0.01 -0.76 0.17 -0.69 -0.69 0.00 0.00 174.62 172.65 1um1 s VAL 12 N -2.82 -0.25 -0.46 3.82 1.01 -0.07 -4.95 120.40 116.69 1um1 s VAL 12 Ca 0.49 -0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 1um1 s VAL 12 Cb -0.10 -0.55 0.10 0.00 0.00 0.00 0.00 36.38 35.82 1um1 s VAL 12 CO 0.45 -0.13 0.34 -1.61 0.00 0.00 0.00 175.10 174.15 1um1 s GLU 13 N 2.27 2.67 0.35 2.72 2.02 -1.26 -0.88 118.70 126.60 1um1 s GLU 13 Ca 0.05 -1.57 0.07 0.00 0.02 0.00 0.00 54.97 53.54 1um1 s GLU 13 Cb -0.15 -3.95 -0.03 0.00 0.10 0.00 0.00 34.13 30.11 1um1 s GLU 13 CO -0.10 -1.09 0.31 -0.51 0.02 0.00 0.00 175.26 173.90 1um1 s LEU 14 N 1.46 3.56 -0.32 1.80 2.01 0.11 -4.92 118.68 122.39 1um1 s LEU 14 Ca 0.04 -0.54 0.00 0.00 0.01 0.00 0.00 54.13 53.64 1um1 s LEU 14 Cb -0.25 -2.19 0.07 0.00 0.01 0.00 0.00 46.19 43.83 1um1 s LEU 14 CO 0.02 -0.41 0.02 -0.70 1.01 0.00 0.00 176.35 176.29 1um1 s GLU 15 N -4.02 2.17 -0.53 1.70 2.12 -1.26 -0.13 118.70 118.75 1um1 s GLU 15 Ca 0.42 -1.47 -0.36 0.00 0.36 0.00 0.00 54.97 53.92 1um1 s GLU 15 Cb -0.05 -3.19 -0.17 0.00 0.26 0.00 0.00 34.13 30.98 1um1 s GLU 15 CO 0.27 -0.74 1.97 -2.13 -0.54 0.00 0.00 175.26 174.09 1um1 n ARG 16 N 4.52 0.00 -0.13 4.30 0.63 -1.17 -4.73 116.66 120.08 1um1 n ARG 16 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1um1 n ARG 16 Cb 0.42 -1.31 0.00 0.00 0.45 0.00 0.00 32.46 32.02 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 6.38 -0.65 0.00 5.14 0.00 -1.26 -4.83 105.19 109.97 1um1 n GLY 17 Ca 0.50 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.89 0.16 -0.00 1.61 -0.04 -1.26 -2.26 135.00 132.31 1um1 n PRO 18 Ca 0.00 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 1um1 n PRO 18 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.40 0.78 -0.59 3.54 7.64 -1.26 -5.00 113.62 117.33 1um1 n SER 19 Ca 0.08 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1um1 n SER 19 Cb 0.22 1.08 0.00 0.00 -1.01 0.00 0.00 64.21 64.50 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 1.37 0.54 6.95 0.23 0.00 -0.96 -4.86 105.19 108.46 1um1 n GLY 20 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.59 0.00 0.00 0.99 4.77 -1.26 -4.82 117.00 116.09 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 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 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 -1.24 2.81 -0.72 0.00 -1.26 -4.29 105.19 100.49 1um1 n GLY 22 Ca 0.00 0.77 -0.14 0.00 0.00 0.00 0.00 46.02 46.65 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 0.34 -0.61 1.61 1.00 -1.26 -3.50 119.30 116.88 1um1 s MET 23 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 55.69 55.57 1um1 s MET 23 Cb 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 34.83 34.15 1um1 s MET 23 CO 0.00 -0.98 1.80 0.41 0.00 0.00 0.00 175.02 176.25 1um1 n GLY 24 N 5.33 2.42 3.72 -0.03 0.00 0.53 -4.88 105.19 112.28 1um1 n GLY 24 Ca -0.02 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 0.40 4.40 0.19 0.99 1.43 -1.26 0.19 118.68 125.01 1um1 s LEU 25 Ca 0.41 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.67 1um1 s LEU 25 Cb 0.10 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 1um1 s LEU 25 CO 0.06 -0.46 -0.03 -0.51 0.23 0.00 0.00 176.35 175.64 1um1 s ILE 26 N 0.71 0.95 -0.26 -0.59 2.07 0.13 -4.87 121.20 119.34 1um1 s ILE 26 Ca 0.58 -2.02 -0.29 0.00 -1.41 0.00 0.00 60.65 57.50 1um1 s ILE 26 Cb -0.32 -2.13 0.01 0.00 0.13 0.00 0.00 42.46 40.15 1um1 s ILE 26 CO 0.32 -0.49 1.12 -0.62 -1.91 0.00 0.00 174.94 173.35 1um1 s ASP 27 N -3.22 6.96 0.58 4.50 -1.08 -1.26 -0.94 116.67 122.20 1um1 s ASP 27 Ca 0.24 1.28 0.39 0.00 -0.52 0.00 0.00 52.55 53.94 1um1 s ASP 27 Cb 0.05 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.34 1um1 s ASP 27 CO 0.05 -0.81 1.47 1.23 0.52 0.00 0.00 175.17 177.62 1um1 h GLY 28 N 9.91 0.00 0.86 2.66 0.00 -0.56 1.67 103.07 117.61 1um1 h GLY 28 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 1um1 h GLY 28 CO 1.01 0.00 -0.26 -0.33 0.00 0.00 0.00 176.54 176.95 1um1 h MET 29 N 0.00 0.53 -0.91 4.80 2.86 -1.56 1.42 114.93 122.06 1um1 h MET 29 Ca 0.72 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 58.04 1um1 h MET 29 Cb 3.32 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 34.96 1um1 h MET 29 CO -0.01 0.90 0.51 0.45 1.06 0.00 0.00 176.91 179.82 1um1 h HIS 30 N 0.19 1.24 -4.14 -0.22 3.86 0.21 -3.35 115.15 112.94 1um1 h HIS 30 Ca 0.02 -0.02 -0.46 0.00 -1.16 0.00 0.00 60.37 58.75 1um1 h HIS 30 Cb 0.83 -0.40 0.01 0.00 1.06 0.00 0.00 27.41 28.92 1um1 h HIS 30 CO 0.09 0.85 0.37 0.95 0.86 0.00 0.00 177.93 181.04 1um1 s THR 31 N -5.88 4.35 0.55 2.45 -4.23 -0.85 -4.87 115.64 107.16 1um1 s THR 31 Ca -0.13 1.25 0.48 0.00 -1.18 0.00 0.00 61.69 62.12 1um1 s THR 31 Cb 0.17 -3.62 0.71 0.00 1.34 0.00 0.00 72.50 71.10 1um1 s THR 31 CO 0.83 -0.52 1.53 1.57 -0.54 0.00 0.00 174.62 177.48 1um1 n HIS 32 N -1.30 0.00 -0.28 3.99 -0.00 -0.91 -0.32 115.22 116.41 1um1 n HIS 32 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.70 1um1 n HIS 32 Cb 0.54 -0.47 -0.08 0.00 -0.00 0.00 0.00 29.99 29.97 1um1 n HIS 32 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1um1 h LEU 33 N 0.00 -1.67 0.00 0.27 6.46 -1.64 -3.45 115.31 115.28 1um1 h LEU 33 Ca 0.90 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 58.91 1um1 h LEU 33 Cb 3.70 0.73 0.00 0.00 -0.73 0.00 0.00 40.66 44.35 1um1 h LEU 33 CO -0.01 -0.22 0.00 0.61 -0.62 0.00 0.00 178.44 178.20 1um1 n GLY 34 N -1.23 2.52 3.83 3.75 0.00 0.49 -4.96 105.19 109.59 1um1 n GLY 34 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.78 3.18 0.40 4.61 0.00 -1.17 -4.40 121.76 121.59 1um1 s ALA 35 Ca 0.00 0.25 -0.24 0.00 0.00 0.00 0.00 51.96 51.96 1um1 s ALA 35 Cb 0.00 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 1um1 s ALA 35 CO 0.00 0.22 1.06 -1.25 0.00 0.00 0.00 175.76 175.79 1um1 s PRO 36 N -3.02 4.17 0.00 0.00 0.04 -1.26 -1.79 135.00 133.13 1um1 s PRO 36 Ca 0.58 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1um1 s PRO 36 Cb -0.10 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1um1 s PRO 36 CO 0.15 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1um1 n GLY 37 N 0.37 3.43 3.79 0.56 0.00 -1.26 -4.85 105.19 107.22 1um1 n GLY 37 Ca 0.05 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 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 4.48 0.03 0.99 2.01 -1.26 -0.12 118.68 124.82 1um1 s LEU 38 Ca 0.00 1.22 0.00 0.00 0.01 0.00 0.00 54.13 55.37 1um1 s LEU 38 Cb 0.00 -2.91 -0.02 0.00 0.01 0.00 0.00 46.19 43.26 1um1 s LEU 38 CO 0.00 0.20 -0.04 -0.31 1.01 0.00 0.00 176.35 177.21 1um1 s TYR 39 N -0.71 0.42 0.11 0.29 1.51 -0.12 -1.90 117.35 116.95 1um1 s TYR 39 Ca 0.30 -0.62 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 1um1 s TYR 39 Cb -0.19 -0.28 -0.07 0.00 -0.11 0.00 0.00 41.96 41.31 1um1 s TYR 39 CO 0.18 -0.19 1.24 0.42 -1.11 0.00 0.00 175.55 176.09 1um1 s ILE 40 N -1.92 3.73 -0.11 2.71 1.01 0.35 0.17 121.20 127.15 1um1 s ILE 40 Ca -0.10 1.31 0.02 0.00 0.00 0.00 0.00 60.65 61.88 1um1 s ILE 40 Cb -0.07 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 1um1 s ILE 40 CO -0.02 0.14 -0.08 1.67 0.00 0.00 0.00 174.94 176.65 1um1 n GLN 41 N 3.45 0.66 -3.78 2.79 7.27 0.49 0.13 117.38 128.39 1um1 n GLN 41 Ca 0.08 0.05 -0.13 0.00 0.07 0.00 0.00 57.00 57.08 1um1 n GLN 41 Cb 0.45 -1.22 -0.09 0.00 2.41 0.00 0.00 30.24 31.79 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 -2.22 0.07 -0.36 1.69 -4.23 -1.09 -4.76 115.64 104.74 1um1 s THR 42 Ca -0.13 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1um1 s THR 42 Cb 0.04 -0.63 0.09 0.00 1.34 0.00 0.00 72.50 73.34 1um1 s THR 42 CO 0.27 -0.30 0.09 -0.76 -0.54 0.00 0.00 174.62 173.38 1um1 s LEU 43 N -1.45 4.74 0.76 4.79 2.01 -1.26 0.20 118.68 128.47 1um1 s LEU 43 Ca -0.12 -1.93 -0.17 0.00 0.01 0.00 0.00 54.13 51.92 1um1 s LEU 43 Cb -0.05 -1.71 -0.11 0.00 0.01 0.00 0.00 46.19 44.32 1um1 s LEU 43 CO 0.03 -0.41 -0.19 0.18 1.01 0.00 0.00 176.35 176.96 1um1 n LEU 44 N 4.45 -3.28 0.00 1.79 4.32 -1.23 -4.84 117.00 118.22 1um1 n LEU 44 Ca -0.02 0.45 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 1um1 n LEU 44 Cb 0.42 -0.92 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 1um1 n LEU 44 CO 0.27 -4.79 0.07 -0.81 -1.22 0.00 0.00 177.39 170.91 1um1 n PRO 45 N 1.15 0.00 -0.86 3.23 -0.04 -1.26 -4.15 135.00 133.07 1um1 n PRO 45 Ca 0.05 0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 1um1 n PRO 45 Cb 0.51 -0.70 -0.05 0.00 -0.04 0.00 0.00 33.50 33.22 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 1.67 3.15 3.29 0.55 0.00 -1.26 -4.58 105.19 108.00 1um1 n GLY 46 Ca 0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 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 2.76 2.07 0.09 1.61 1.04 -1.26 -4.89 113.70 115.13 1um1 s SER 47 Ca 0.49 -1.02 -0.12 0.00 0.48 0.00 0.00 55.95 55.77 1um1 s SER 47 Cb 0.16 -0.05 -0.19 0.00 0.10 0.00 0.00 66.02 66.04 1um1 s SER 47 CO -0.03 -0.28 1.24 1.55 0.98 0.00 0.00 173.24 176.70 1um1 h PRO 48 N 2.69 0.71 0.05 4.02 0.13 -1.87 -2.52 132.00 135.20 1um1 h PRO 48 Ca -0.37 -0.69 0.03 0.00 -0.87 0.00 0.00 66.00 64.09 1um1 h PRO 48 Cb 1.20 0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 1um1 h PRO 48 CO 0.63 1.28 -0.26 0.00 -0.23 0.00 0.00 178.00 179.42 1um1 h ALA 49 N 0.49 -0.40 0.67 -0.56 0.00 -1.86 0.31 119.26 117.91 1um1 h ALA 49 Ca -0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1um1 h ALA 49 Cb 1.59 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1um1 h ALA 49 CO 0.19 -0.78 -0.50 0.00 0.00 0.00 0.00 179.25 178.16 1um1 h ALA 50 N 0.34 -1.23 -1.18 0.00 0.00 -1.69 -1.28 119.26 114.22 1um1 h ALA 50 Ca 0.05 -0.23 0.36 0.00 0.00 0.00 0.00 54.91 55.10 1um1 h ALA 50 Cb 0.49 0.66 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 1um1 h ALA 50 CO -0.20 -1.21 0.75 0.00 0.00 0.00 0.00 179.25 178.59 1um1 h ALA 51 N -1.08 2.47 -1.24 0.00 0.00 -1.21 1.41 119.26 119.62 1um1 h ALA 51 Ca -0.09 0.10 0.36 0.00 0.00 0.00 0.00 54.91 55.28 1um1 h ALA 51 Cb 0.92 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1um1 h ALA 51 CO 0.04 -1.03 0.85 0.22 0.00 0.00 0.00 179.25 179.33 1um1 h ASP 52 N 0.21 0.20 0.00 0.00 3.58 0.85 -3.44 116.42 117.82 1um1 h ASP 52 Ca 0.73 0.06 0.00 0.00 0.42 0.00 0.00 57.03 58.24 1um1 h ASP 52 Cb 2.10 0.03 0.00 0.00 1.72 0.00 0.00 39.33 43.18 1um1 h ASP 52 CO -0.40 -0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.56 1um1 n GLY 53 N -1.64 1.32 0.21 -0.78 0.00 0.48 -4.55 105.19 100.24 1um1 n GLY 53 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 0.16 -5.73 1.61 1.12 -1.85 -3.38 114.38 106.32 1um1 h ARG 54 Ca 0.00 -0.01 -0.55 0.00 -1.11 0.00 0.00 59.98 58.31 1um1 h ARG 54 Cb 0.00 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.91 1um1 h ARG 54 CO 0.00 0.10 1.56 1.28 -3.11 0.00 0.00 179.97 179.81 1um1 n LEU 55 N -5.20 2.27 -4.90 3.80 4.77 -1.26 -4.92 117.00 111.56 1um1 n LEU 55 Ca 0.07 -0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 1um1 n LEU 55 Cb 0.30 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 1um1 n LEU 55 CO 0.16 -1.06 -0.03 -0.44 -1.33 0.00 0.00 177.39 174.69 1um1 s SER 56 N 9.72 5.44 -0.03 -1.43 0.01 -1.26 -4.84 113.70 121.31 1um1 s SER 56 Ca 1.06 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 57.57 1um1 s SER 56 Cb -0.51 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 1um1 s SER 56 CO 0.37 -0.43 1.07 -0.76 0.41 0.00 0.00 173.24 173.89 1um1 s LEU 57 N -4.07 4.32 0.00 2.44 1.43 -1.26 -2.93 118.68 118.61 1um1 s LEU 57 Ca 0.44 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1um1 s LEU 57 Cb -0.07 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1um1 s LEU 57 CO 0.28 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1um1 n GLY 58 N 3.09 2.70 3.31 -3.19 0.00 0.34 -4.81 105.19 106.62 1um1 n GLY 58 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.06 -4.14 1.61 8.00 -1.15 -4.23 116.55 113.59 1um1 n ASP 59 Ca 0.00 0.35 -0.30 0.00 0.71 0.00 0.00 54.79 55.55 1um1 n ASP 59 Cb 0.00 -1.07 -0.17 0.00 -0.02 0.00 0.00 41.12 39.86 1um1 n ASP 59 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1um1 s ARG 60 N -2.93 2.56 0.50 -1.24 3.52 -1.25 0.13 118.95 120.25 1um1 s ARG 60 Ca 0.54 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 55.28 1um1 s ARG 60 Cb -0.24 -2.02 -0.08 0.00 -1.56 0.00 0.00 34.95 31.05 1um1 s ARG 60 CO 0.70 0.08 0.96 0.42 -0.81 0.00 0.00 175.30 176.64 1um1 s ILE 61 N 0.59 4.57 0.00 4.11 -1.09 -0.80 -1.32 121.20 127.26 1um1 s ILE 61 Ca -0.14 1.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 1um1 s ILE 61 Cb -0.17 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1um1 s ILE 61 CO 0.05 -0.67 0.00 0.18 -1.23 0.00 0.00 174.94 173.26 1um1 n LEU 62 N -1.55 0.60 -4.24 2.97 4.77 0.52 -4.66 117.00 115.40 1um1 n LEU 62 Ca 0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 1um1 n LEU 62 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1um1 n LEU 62 CO 0.47 -0.03 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.49 1um1 s GLU 63 N -1.87 1.05 -0.24 3.23 2.02 -1.13 -0.92 118.70 120.83 1um1 s GLU 63 Ca 0.00 -1.46 -0.04 0.00 0.02 0.00 0.00 54.97 53.49 1um1 s GLU 63 Cb 0.00 -0.52 0.09 0.00 0.10 0.00 0.00 34.13 33.80 1um1 s GLU 63 CO 0.00 0.03 0.14 0.08 0.02 0.00 0.00 175.26 175.53 1um1 s VAL 64 N -3.41 -0.14 -1.65 2.63 1.01 -0.95 -1.14 120.40 116.76 1um1 s VAL 64 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1um1 s VAL 64 Cb 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1um1 s VAL 64 CO 0.01 -0.50 0.00 0.59 0.00 0.00 0.00 175.10 175.19 1um1 n ASN 65 N 5.27 -5.43 -0.59 3.32 3.02 0.52 -2.13 115.26 119.24 1um1 n ASN 65 Ca -0.06 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1um1 n ASN 65 Cb 0.46 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 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 -0.99 0.84 2.73 7.41 0.00 -1.26 -4.97 105.19 108.96 1um1 n GLY 66 Ca -0.22 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.94 3.58 -0.30 1.61 0.15 -0.91 -5.09 113.70 109.80 1um1 s SER 67 Ca 0.00 -1.29 -0.38 0.00 0.70 0.00 0.00 55.95 54.98 1um1 s SER 67 Cb 0.00 -0.75 -0.14 0.00 -1.71 0.00 0.00 66.02 63.43 1um1 s SER 67 CO 0.00 -0.37 1.94 -1.20 1.20 0.00 0.00 173.24 174.81 1um1 n SER 68 N 4.94 2.30 -2.06 5.45 7.64 -1.26 -2.25 113.62 128.38 1um1 n SER 68 Ca -0.05 0.81 -0.24 0.00 1.01 0.00 0.00 58.87 60.40 1um1 n SER 68 Cb 0.44 -1.19 0.06 0.00 -1.01 0.00 0.00 64.21 62.51 1um1 n SER 68 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1um1 n LEU 69 N 7.21 6.89 -4.33 -3.43 0.00 -0.10 -4.75 117.00 118.49 1um1 n LEU 69 Ca 0.33 -3.66 -0.45 0.00 0.00 0.00 0.00 56.01 52.23 1um1 n LEU 69 Cb 0.17 -1.00 -0.06 0.00 0.00 0.00 0.00 43.42 42.53 1um1 n LEU 69 CO 0.79 1.29 0.08 -0.76 0.00 0.00 0.00 177.39 178.79 1um1 s LEU 70 N -2.66 5.91 0.00 -1.96 1.43 -1.26 -4.13 118.68 116.00 1um1 s LEU 70 Ca 0.45 -1.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1um1 s LEU 70 Cb 0.36 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1um1 s LEU 70 CO 0.00 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1um1 n GLY 71 N 5.20 2.56 3.64 -3.19 0.00 -1.26 -5.03 105.19 107.11 1um1 n GLY 71 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1um1 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 72 N 0.00 4.12 0.54 0.99 1.43 -1.26 -4.94 118.68 119.55 1um1 s LEU 72 Ca 0.00 2.04 -0.22 0.00 -1.03 0.00 0.00 54.13 54.92 1um1 s LEU 72 Cb 0.00 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 1um1 s LEU 72 CO 0.00 -1.14 1.35 0.61 0.23 0.00 0.00 176.35 177.40 1um1 n GLY 73 N 4.49 0.74 0.31 -3.19 0.00 -1.26 -4.50 105.19 101.78 1um1 n GLY 73 Ca 0.19 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.96 0.45 0.30 1.61 4.19 -1.26 0.65 117.16 122.14 1um1 n TYR 74 Ca 0.10 1.07 -0.17 0.00 3.31 0.00 0.00 57.90 62.21 1um1 n TYR 74 Cb 0.44 -1.09 -0.08 0.00 0.49 0.00 0.00 39.34 39.09 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 -0.97 -0.94 2.98 3.38 -1.99 0.45 115.31 118.23 1um1 h LEU 75 Ca 0.48 0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.67 1um1 h LEU 75 Cb 0.89 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 1um1 h LEU 75 CO -0.87 -0.56 0.54 0.03 0.09 0.00 0.00 178.44 177.68 1um1 h ARG 76 N -0.87 0.75 -0.53 1.13 2.47 -0.10 0.37 114.38 117.60 1um1 h ARG 76 Ca -0.06 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.57 1um1 h ARG 76 Cb 0.73 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 1um1 h ARG 76 CO 0.02 0.49 0.16 0.00 0.56 0.00 0.00 179.97 181.20 1um1 h ALA 77 N 1.58 0.70 -0.41 0.04 0.00 0.56 -1.00 119.26 120.73 1um1 h ALA 77 Ca 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1um1 h ALA 77 Cb 0.68 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1um1 h ALA 77 CO -0.34 0.37 0.21 0.28 0.00 0.00 0.00 179.25 179.77 1um1 h VAL 78 N 0.74 1.17 -0.67 0.00 2.07 0.24 -1.48 116.25 118.32 1um1 h VAL 78 Ca 0.17 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1um1 h VAL 78 Cb 0.30 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1um1 h VAL 78 CO -0.00 0.18 0.44 -0.78 0.02 0.00 0.00 177.57 177.43 1um1 h ASP 79 N 0.53 0.63 0.55 0.57 3.58 -0.08 0.49 116.42 122.70 1um1 h ASP 79 Ca 0.14 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 1um1 h ASP 79 Cb 0.10 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.01 1um1 h ASP 79 CO -0.02 0.42 -0.27 -0.07 -2.88 0.00 0.00 179.24 176.42 1um1 h LEU 80 N 0.72 -0.63 0.00 2.28 3.38 -0.29 0.49 115.31 121.26 1um1 h LEU 80 Ca 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1um1 h LEU 80 Cb 0.20 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1um1 h LEU 80 CO -0.09 -0.37 0.00 -0.38 0.09 0.00 0.00 178.44 177.70 1um1 n ILE 81 N -5.36 0.75 -0.10 1.22 -0.00 -0.64 -1.74 119.36 113.48 1um1 n ILE 81 Ca -0.12 0.19 -0.20 0.00 -0.00 0.00 0.00 62.75 62.62 1um1 n ILE 81 Cb 0.33 -0.95 -0.11 0.00 -0.00 0.00 0.00 39.64 38.91 1um1 n ILE 81 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 1um1 h ARG 82 N 0.00 0.00 -0.96 0.38 2.43 0.98 -3.35 114.38 113.85 1um1 h ARG 82 Ca 0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 1um1 h ARG 82 Cb 0.17 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 29.55 1um1 h ARG 82 CO 0.00 0.93 0.37 0.72 -1.51 0.00 0.00 179.97 180.48 1um1 n HIS 83 N -4.47 1.93 0.00 2.20 8.25 0.16 -4.88 115.22 118.42 1um1 n HIS 83 Ca -0.27 -1.26 0.00 0.00 -0.26 0.00 0.00 57.72 55.93 1um1 n HIS 83 Cb 0.62 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.44 -3.55 0.00 -1.41 0.00 -0.71 -5.00 105.19 94.08 1um1 n GLY 84 Ca 0.36 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1um1 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um1 n GLY 85 N 0.14 4.16 0.17 -0.02 0.00 -1.26 -5.03 105.19 103.34 1um1 n GLY 85 Ca 0.00 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 44.80 1um1 n GLY 85 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1um1 h LYS 86 N 0.00 0.00 -4.80 1.61 3.64 -1.95 -3.40 116.57 111.67 1um1 h LYS 86 Ca 0.00 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.71 1um1 h LYS 86 Cb 0.00 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 31.46 1um1 h LYS 86 CO 0.00 0.48 -0.75 0.15 -2.27 0.00 0.00 179.45 177.06 1um1 s LYS 87 N -3.71 2.20 -0.29 1.90 1.02 -1.26 -3.04 119.74 116.56 1um1 s LYS 87 Ca -0.01 -1.41 -0.16 0.00 0.02 0.00 0.00 55.97 54.41 1um1 s LYS 87 Cb 0.12 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1um1 s LYS 87 CO 0.72 -0.65 0.43 -1.64 -0.92 0.00 0.00 175.35 173.30 1um1 s MET 88 N 1.13 3.93 -0.15 1.68 -1.94 0.82 -4.93 119.30 119.83 1um1 s MET 88 Ca -0.05 0.05 -0.03 0.00 -1.71 0.00 0.00 55.69 53.95 1um1 s MET 88 Cb -0.20 -3.69 -0.02 0.00 2.01 0.00 0.00 34.83 32.92 1um1 s MET 88 CO -0.04 -0.38 -0.06 0.50 -0.01 0.00 0.00 175.02 175.03 1um1 s ARG 89 N 2.19 3.58 -0.05 2.03 3.52 -1.26 0.06 118.95 129.02 1um1 s ARG 89 Ca 0.17 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.24 1um1 s ARG 89 Cb -0.16 -2.84 0.01 0.00 -1.56 0.00 0.00 34.95 30.41 1um1 s ARG 89 CO 0.10 0.25 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.67 1um1 s PHE 90 N 0.31 1.36 -0.82 5.12 0.08 -0.06 0.20 117.98 124.17 1um1 s PHE 90 Ca -0.05 -0.45 -0.13 0.00 0.12 0.00 0.00 56.93 56.42 1um1 s PHE 90 Cb -0.14 -0.99 0.22 0.00 -0.57 0.00 0.00 43.02 41.53 1um1 s PHE 90 CO 0.04 -0.22 0.74 -1.17 -0.10 0.00 0.00 175.22 174.51 1um1 s LEU 91 N 0.50 6.60 0.19 -0.37 2.96 -0.29 -0.89 118.68 127.38 1um1 s LEU 91 Ca -0.11 -2.74 0.04 0.00 -0.22 0.00 0.00 54.13 51.10 1um1 s LEU 91 Cb -0.14 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 1um1 s LEU 91 CO 0.03 -0.54 0.27 0.54 -1.32 0.00 0.00 176.35 175.32 1um1 s VAL 92 N 0.08 5.04 0.03 1.68 0.11 -1.04 0.20 120.40 126.50 1um1 s VAL 92 Ca 0.18 -0.94 0.06 0.00 -2.93 0.00 0.00 61.98 58.35 1um1 s VAL 92 Cb -0.11 -3.65 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1um1 s VAL 92 CO -0.08 -0.20 -0.14 0.00 -3.33 0.00 0.00 175.10 171.35 1um1 s ALA 93 N -1.86 2.75 -0.79 1.54 0.00 -0.43 -1.53 121.76 121.43 1um1 s ALA 93 Ca 0.33 -1.14 -0.25 0.00 0.00 0.00 0.00 51.96 50.90 1um1 s ALA 93 Cb -0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 1um1 s ALA 93 CO 0.27 0.59 1.65 0.15 0.00 0.00 0.00 175.76 178.42 1um1 s LYS 94 N -1.48 2.94 0.90 0.00 -0.14 -1.17 -3.84 119.74 116.95 1um1 s LYS 94 Ca 0.16 -0.16 -0.14 0.00 -1.36 0.00 0.00 55.97 54.46 1um1 s LYS 94 Cb -0.11 -4.69 0.15 0.00 -1.68 0.00 0.00 37.83 31.51 1um1 s LYS 94 CO 0.07 -2.63 1.24 -1.54 -0.76 0.00 0.00 175.35 171.72 1um1 s SER 95 N 6.35 3.64 0.67 2.83 1.04 -1.26 -4.77 113.70 122.19 1um1 s SER 95 Ca 0.55 0.56 -0.03 0.00 0.48 0.00 0.00 55.95 57.52 1um1 s SER 95 Cb -0.08 -0.85 0.08 0.00 0.10 0.00 0.00 66.02 65.27 1um1 s SER 95 CO 0.08 -2.43 0.94 -1.81 0.98 0.00 0.00 173.24 171.00 1um1 s ASP 96 N -4.64 4.75 0.07 7.02 1.01 -1.26 -4.98 116.67 118.64 1um1 s ASP 96 Ca 0.68 0.06 -0.23 0.00 0.71 0.00 0.00 52.55 53.77 1um1 s ASP 96 Cb -0.08 -0.69 -0.14 0.00 1.01 0.00 0.00 42.92 43.02 1um1 s ASP 96 CO 0.51 -1.58 1.61 -0.37 0.21 0.00 0.00 175.17 175.56 1um1 h VAL 97 N -0.41 1.12 0.00 -1.27 -1.51 -1.98 -2.68 116.25 109.52 1um1 h VAL 97 Ca -0.41 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1um1 h VAL 97 Cb 1.29 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1um1 h VAL 97 CO 0.51 0.10 0.00 -0.62 -1.23 0.00 0.00 177.57 176.33 1um1 n GLU 98 N -4.98 0.00 -0.33 5.19 1.02 -1.26 0.19 120.64 120.47 1um1 n GLU 98 Ca -0.06 0.89 0.23 0.00 -0.02 0.00 0.00 57.16 58.19 1um1 n GLU 98 Cb 0.10 -1.48 0.44 0.00 -0.02 0.00 0.00 31.44 30.47 1um1 n GLU 98 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1um1 h THR 99 N 0.00 0.10 0.10 2.62 2.02 -1.96 0.71 112.91 116.50 1um1 h THR 99 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1um1 h THR 99 Cb 0.00 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1um1 h THR 99 CO 0.00 0.02 -0.05 0.00 0.37 0.00 0.00 175.52 175.86 1um1 h ALA 100 N 1.94 -0.13 -0.82 6.16 0.00 -0.36 -2.97 119.26 123.07 1um1 h ALA 100 Ca 0.71 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.66 1um1 h ALA 100 Cb 1.69 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 1um1 h ALA 100 CO -0.77 -0.43 -0.04 0.87 0.00 0.00 0.00 179.25 178.87 1um1 h LYS 101 N -0.42 0.06 -1.03 0.00 1.57 0.82 1.48 116.57 119.05 1um1 h LYS 101 Ca -0.01 -0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.03 1um1 h LYS 101 Cb 0.35 -0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.53 1um1 h LYS 101 CO 0.02 0.04 0.63 0.87 -0.57 0.00 0.00 179.45 180.44 1um1 h LYS 102 N 0.06 0.46 -0.08 3.15 6.56 -0.95 1.64 116.57 127.41 1um1 h LYS 102 Ca 0.45 -0.03 -0.16 0.00 -1.06 0.00 0.00 60.65 59.86 1um1 h LYS 102 Cb 0.80 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.35 1um1 h LYS 102 CO -0.77 0.30 -0.63 0.82 -2.06 0.00 0.00 179.45 177.12 1um1 h ILE 103 N 0.47 1.38 0.00 1.86 1.08 0.20 -2.41 117.51 120.09 1um1 h ILE 103 Ca 0.65 -2.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 1um1 h ILE 103 Cb 1.43 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 37.19 1um1 h ILE 103 CO -0.44 0.60 0.00 1.41 -0.69 0.00 0.00 178.15 179.03 1um1 n HIS 104 N -3.87 0.00 -2.97 1.37 8.25 0.46 -4.78 115.22 113.69 1um1 n HIS 104 Ca -0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.46 1um1 n HIS 104 Cb 0.64 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1um1 n HIS 104 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1um1 s SER 105 N -2.66 -0.66 -0.19 0.41 0.15 0.41 -5.01 113.70 106.14 1um1 s SER 105 Ca 0.00 -0.20 -0.42 0.00 0.70 0.00 0.00 55.95 56.03 1um1 s SER 105 Cb 0.00 1.02 -0.20 0.00 -1.71 0.00 0.00 66.02 65.13 1um1 s SER 105 CO 0.00 -0.09 1.26 0.61 1.20 0.00 0.00 173.24 176.22 1um1 n GLY 106 N 4.29 -0.10 3.81 9.45 0.00 -1.22 -4.79 105.19 116.64 1um1 n GLY 106 Ca 0.07 0.85 -0.32 0.00 0.00 0.00 0.00 46.02 46.62 1um1 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1um1 s PRO 107 N 1.16 3.32 -1.03 1.61 0.04 -1.26 -4.97 135.00 133.87 1um1 s PRO 107 Ca 0.95 1.13 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1um1 s PRO 107 Cb -1.34 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 31.32 1um1 s PRO 107 CO 0.66 -0.80 1.21 0.45 0.04 0.00 0.00 177.00 178.56 1um1 s SER 108 N -2.99 6.83 0.26 6.66 0.15 -1.26 -5.01 113.70 118.34 1um1 s SER 108 Ca 0.62 -2.50 -0.21 0.00 0.70 0.00 0.00 55.95 54.56 1um1 s SER 108 Cb -0.15 -2.38 -0.09 0.00 -1.71 0.00 0.00 66.02 61.69 1um1 s SER 108 CO 0.39 -0.88 0.80 -0.55 1.20 0.00 0.00 173.24 174.20 1um1 s SER 109 N 3.15 7.13 0.00 5.45 0.15 -1.26 -5.36 113.70 122.95 1um1 s SER 109 Ca 0.35 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1um1 s SER 109 Cb -0.05 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1um1 s SER 109 CO -0.06 -0.02 0.01 0.61 1.20 0.00 0.00 173.24 174.98