#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um1 h SER 2 N 0.00 -0.32 -5.12 1.61 0.02 -2.15 -3.49 113.55 104.10 1um1 h SER 2 Ca 0.00 -0.10 0.11 0.00 -0.84 0.00 0.00 61.79 60.96 1um1 h SER 2 Cb 0.00 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 1um1 h SER 2 CO 0.00 0.16 0.33 -0.94 -1.14 0.00 0.00 176.83 175.23 1um1 s SER 3 N -5.17 -0.21 0.00 3.07 1.04 -1.26 -5.19 113.70 105.98 1um1 s SER 3 Ca -0.08 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1um1 s SER 3 Cb 0.01 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1um1 s SER 3 CO 0.27 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1um1 n GLY 4 N -0.47 0.49 3.63 7.32 0.00 -1.26 -5.19 105.19 109.71 1um1 n GLY 4 Ca -0.05 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.06 0.00 1.61 0.01 -1.26 -5.18 113.70 108.81 1um1 s SER 5 Ca 0.00 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1um1 s SER 5 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1um1 s SER 5 CO 0.00 -0.07 0.00 -0.24 0.41 0.00 0.00 173.24 173.34 1um1 n SER 6 N 0.39 0.00 0.00 2.44 2.88 -1.26 -5.19 113.62 112.88 1um1 n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1um1 n SER 6 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1um1 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1um1 n GLY 7 N -0.24 1.23 3.82 0.46 0.00 -1.26 -5.14 105.19 104.07 1um1 n GLY 7 Ca 0.00 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 3.50 0.36 1.61 -0.85 -1.26 -5.00 117.35 113.71 1um1 s TYR 8 Ca 0.00 0.44 -0.02 0.00 -0.52 0.00 0.00 57.07 56.97 1um1 s TYR 8 Cb 0.00 -1.95 -0.04 0.00 0.38 0.00 0.00 41.96 40.35 1um1 s TYR 8 CO 0.00 0.63 0.60 0.08 -1.52 0.00 0.00 175.55 175.34 1um1 s VAL 9 N -0.80 5.04 -0.04 -3.49 1.01 -1.26 -3.22 120.40 117.64 1um1 s VAL 9 Ca 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1um1 s VAL 9 Cb -0.12 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1um1 s VAL 9 CO 0.03 -0.57 0.10 0.72 0.00 0.00 0.00 175.10 175.38 1um1 s PHE 10 N -2.36 -0.11 0.59 5.22 -0.71 -0.43 -4.95 117.98 115.22 1um1 s PHE 10 Ca 0.42 0.29 -0.08 0.00 -1.04 0.00 0.00 56.93 56.52 1um1 s PHE 10 Cb -0.10 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.72 1um1 s PHE 10 CO 0.37 -0.06 0.94 0.99 -1.34 0.00 0.00 175.22 176.11 1um1 s THR 11 N 0.18 4.21 -0.15 -4.49 2.01 -1.26 -2.56 115.64 113.57 1um1 s THR 11 Ca -0.01 0.35 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 1um1 s THR 11 Cb -0.02 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.89 1um1 s THR 11 CO -0.00 -0.76 0.14 -0.69 -0.69 0.00 0.00 174.62 172.61 1um1 s VAL 12 N -3.04 -0.19 -0.47 3.82 1.01 0.04 -4.93 120.40 116.64 1um1 s VAL 12 Ca 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 1um1 s VAL 12 Cb -0.11 -0.51 0.09 0.00 0.00 0.00 0.00 36.38 35.85 1um1 s VAL 12 CO 0.48 -0.14 0.36 -1.61 0.00 0.00 0.00 175.10 174.20 1um1 s GLU 13 N 2.23 2.77 0.23 2.72 2.02 -1.26 -1.25 118.70 126.16 1um1 s GLU 13 Ca 0.04 -1.53 0.08 0.00 0.02 0.00 0.00 54.97 53.58 1um1 s GLU 13 Cb -0.15 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.03 1um1 s GLU 13 CO -0.09 -1.09 0.08 -0.51 0.02 0.00 0.00 175.26 173.67 1um1 s LEU 14 N 1.51 3.51 -0.31 1.80 2.01 0.15 -4.97 118.68 122.38 1um1 s LEU 14 Ca 0.04 -0.40 -0.04 0.00 0.01 0.00 0.00 54.13 53.74 1um1 s LEU 14 Cb -0.25 -2.07 0.04 0.00 0.01 0.00 0.00 46.19 43.92 1um1 s LEU 14 CO 0.03 0.01 0.05 -0.70 1.01 0.00 0.00 176.35 176.75 1um1 s GLU 15 N -3.54 2.56 -0.63 1.70 2.12 -1.26 -0.91 118.70 118.74 1um1 s GLU 15 Ca 0.31 -1.19 -0.37 0.00 0.36 0.00 0.00 54.97 54.07 1um1 s GLU 15 Cb -0.08 -3.30 -0.19 0.00 0.26 0.00 0.00 34.13 30.82 1um1 s GLU 15 CO 0.22 -0.62 2.19 -2.13 -0.54 0.00 0.00 175.26 174.38 1um1 n ARG 16 N 4.72 0.00 -0.26 4.30 0.63 -0.78 -4.71 116.66 120.56 1um1 n ARG 16 Ca -0.13 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.75 1um1 n ARG 16 Cb 0.44 -1.41 0.04 0.00 0.45 0.00 0.00 32.46 31.98 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 6.76 -1.72 0.00 5.14 0.00 -1.26 -4.80 105.19 109.30 1um1 n GLY 17 Ca 0.55 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.71 0.35 0.00 1.61 -0.04 -1.26 -2.20 135.00 131.74 1um1 n PRO 18 Ca 0.03 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1um1 n PRO 18 Cb 0.10 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.27 0.80 -0.62 3.54 7.64 -1.26 -5.00 113.62 117.45 1um1 n SER 19 Ca 0.11 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1um1 n SER 19 Cb 0.17 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 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 0.84 0.55 5.84 0.23 0.00 -0.94 -4.86 105.19 106.85 1um1 n GLY 20 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.62 0.00 0.00 0.99 4.77 -1.26 -4.79 117.00 116.09 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 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 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 -1.90 2.90 -0.72 0.00 -1.26 -4.47 105.19 99.75 1um1 n GLY 22 Ca 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 46.02 46.74 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 0.08 -1.17 1.61 1.00 -1.26 -2.32 119.30 117.24 1um1 s MET 23 Ca 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 55.69 56.14 1um1 s MET 23 Cb 0.00 -0.20 0.23 0.00 0.00 0.00 0.00 34.83 34.86 1um1 s MET 23 CO 0.00 -0.26 1.35 0.41 0.00 0.00 0.00 175.02 176.52 1um1 n GLY 24 N 5.02 3.98 3.78 -0.03 0.00 0.12 -4.94 105.19 113.12 1um1 n GLY 24 Ca -0.11 -2.31 -0.35 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.11 3.83 0.03 0.99 2.01 -1.26 0.13 118.68 124.30 1um1 s LEU 25 Ca 0.37 2.17 -0.05 0.00 0.01 0.00 0.00 54.13 56.63 1um1 s LEU 25 Cb -0.04 -4.50 -0.01 0.00 0.01 0.00 0.00 46.19 41.65 1um1 s LEU 25 CO -0.02 -1.08 0.08 -0.51 1.01 0.00 0.00 176.35 175.83 1um1 s ILE 26 N -1.75 0.13 -0.10 -0.59 2.07 0.10 -4.77 121.20 116.29 1um1 s ILE 26 Ca 0.70 -1.03 -0.30 0.00 -1.41 0.00 0.00 60.65 58.61 1um1 s ILE 26 Cb -0.24 -0.77 -0.02 0.00 0.13 0.00 0.00 42.46 41.56 1um1 s ILE 26 CO 0.28 -0.57 1.16 1.51 -1.91 0.00 0.00 174.94 175.41 1um1 s ASP 27 N -1.96 7.07 0.63 4.50 -4.77 -1.26 -0.86 116.67 120.02 1um1 s ASP 27 Ca -0.07 1.70 0.24 0.00 -3.30 0.00 0.00 52.55 51.12 1um1 s ASP 27 Cb -0.03 -2.55 1.16 0.00 -1.09 0.00 0.00 42.92 40.41 1um1 s ASP 27 CO -0.03 -0.60 1.64 1.23 0.70 0.00 0.00 175.17 178.10 1um1 h GLY 28 N 8.55 0.00 2.00 2.12 0.00 0.14 1.51 103.07 117.39 1um1 h GLY 28 Ca -0.31 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1um1 h GLY 28 CO 0.90 0.00 -0.50 -0.33 0.00 0.00 0.00 176.54 176.61 1um1 h MET 29 N 0.00 0.00 0.13 4.80 2.86 -1.35 -0.70 114.93 120.67 1um1 h MET 29 Ca 0.16 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.51 1um1 h MET 29 Cb 1.49 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.18 1um1 h MET 29 CO -0.00 0.50 -1.25 0.45 1.06 0.00 0.00 176.91 177.67 1um1 h HIS 30 N 0.00 0.83 -4.09 -0.22 -0.00 0.18 -3.41 115.15 108.44 1um1 h HIS 30 Ca -0.01 -0.55 -0.45 0.00 -0.00 0.00 0.00 60.37 59.37 1um1 h HIS 30 Cb 1.03 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.37 1um1 h HIS 30 CO 0.00 1.40 0.35 0.95 -0.00 0.00 0.00 177.93 180.63 1um1 s THR 31 N -2.87 4.41 0.45 2.45 -4.23 -1.02 -4.90 115.64 109.92 1um1 s THR 31 Ca -0.07 1.42 0.35 0.00 -1.18 0.00 0.00 61.69 62.20 1um1 s THR 31 Cb 0.06 -3.62 0.53 0.00 1.34 0.00 0.00 72.50 70.81 1um1 s THR 31 CO 0.92 -0.40 1.54 1.41 -0.54 0.00 0.00 174.62 177.55 1um1 n HIS 32 N -0.87 0.60 -0.63 3.99 8.25 -1.07 0.15 115.22 125.65 1um1 n HIS 32 Ca 0.07 0.60 0.49 0.00 -0.26 0.00 0.00 57.72 58.62 1um1 n HIS 32 Cb 0.54 -1.05 0.77 0.00 1.12 0.00 0.00 29.99 31.37 1um1 n HIS 32 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1um1 n LEU 33 N -4.58 0.07 -1.80 2.41 7.94 -1.26 -4.64 117.00 115.14 1um1 n LEU 33 Ca 0.41 1.13 -0.06 0.00 -1.11 0.00 0.00 56.01 56.37 1um1 n LEU 33 Cb 1.62 -0.56 -0.02 0.00 0.53 0.00 0.00 43.42 44.99 1um1 n LEU 33 CO 0.22 -1.17 -0.07 0.61 -1.11 0.00 0.00 177.39 175.87 1um1 n GLY 34 N -1.78 0.08 3.65 -3.96 0.00 0.40 -4.89 105.19 98.69 1um1 n GLY 34 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.91 3.17 0.37 4.61 0.00 -0.89 -4.77 121.76 122.34 1um1 s ALA 35 Ca 0.00 -1.42 -0.25 0.00 0.00 0.00 0.00 51.96 50.29 1um1 s ALA 35 Cb 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 23.12 22.09 1um1 s ALA 35 CO 0.00 0.45 1.06 -1.25 0.00 0.00 0.00 175.76 176.02 1um1 s PRO 36 N -3.03 4.29 0.00 0.00 0.04 -1.26 -1.17 135.00 133.88 1um1 s PRO 36 Ca 0.28 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1um1 s PRO 36 Cb -0.09 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1um1 s PRO 36 CO 0.18 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.59 1um1 n GLY 37 N 0.58 2.21 3.54 0.56 0.00 -1.26 -4.82 105.19 106.00 1um1 n GLY 37 Ca 0.03 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 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 2.93 0.10 0.99 1.43 -1.26 0.15 118.68 123.02 1um1 s LEU 38 Ca 0.00 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1um1 s LEU 38 Cb 0.00 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1um1 s LEU 38 CO 0.00 0.25 0.12 -0.31 0.23 0.00 0.00 176.35 176.64 1um1 s TYR 39 N -1.02 0.42 -0.09 0.29 1.51 -0.04 -2.31 117.35 116.11 1um1 s TYR 39 Ca 0.17 -0.87 -0.30 0.00 -1.01 0.00 0.00 57.07 55.07 1um1 s TYR 39 Cb -0.11 -0.23 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 1um1 s TYR 39 CO 0.08 -0.52 1.21 0.42 -1.11 0.00 0.00 175.55 175.63 1um1 s ILE 40 N -3.93 4.28 -0.16 2.71 1.01 0.43 0.01 121.20 125.55 1um1 s ILE 40 Ca 0.11 1.59 0.12 0.00 0.00 0.00 0.00 60.65 62.47 1um1 s ILE 40 Cb 0.06 -4.02 -0.19 0.00 0.01 0.00 0.00 42.46 38.32 1um1 s ILE 40 CO -0.07 -0.04 0.02 1.67 0.00 0.00 0.00 174.94 176.53 1um1 n GLN 41 N 5.58 1.28 -3.85 2.79 7.27 0.35 -1.06 117.38 129.75 1um1 n GLN 41 Ca 0.12 0.01 -0.09 0.00 0.07 0.00 0.00 57.00 57.10 1um1 n GLN 41 Cb 0.46 -1.41 -0.05 0.00 2.41 0.00 0.00 30.24 31.65 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 -2.39 0.03 -0.07 1.69 -4.23 -0.94 -4.90 115.64 104.83 1um1 s THR 42 Ca -0.11 -1.06 -0.03 0.00 -1.18 0.00 0.00 61.69 59.32 1um1 s THR 42 Cb 0.05 -1.79 0.04 0.00 1.34 0.00 0.00 72.50 72.15 1um1 s THR 42 CO 0.63 -0.13 0.14 -0.76 -0.54 0.00 0.00 174.62 173.96 1um1 s LEU 43 N -2.93 0.26 0.83 4.79 1.43 -1.26 0.12 118.68 121.93 1um1 s LEU 43 Ca 0.14 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 1um1 s LEU 43 Cb -0.00 0.25 0.09 0.00 0.03 0.00 0.00 46.19 46.57 1um1 s LEU 43 CO 0.01 -0.21 1.13 -0.76 0.23 0.00 0.00 176.35 176.75 1um1 s LEU 44 N 1.85 2.99 0.00 1.79 1.02 -0.98 -4.99 118.68 120.36 1um1 s LEU 44 Ca -0.01 2.06 0.00 0.00 0.02 0.00 0.00 54.13 56.20 1um1 s LEU 44 Cb -0.12 -4.55 0.00 0.00 0.02 0.00 0.00 46.19 41.54 1um1 s LEU 44 CO -0.05 -2.54 0.25 -0.81 0.02 0.00 0.00 176.35 173.21 1um1 n PRO 45 N -3.72 0.00 -1.13 1.29 -0.04 -1.26 -4.09 135.00 126.04 1um1 n PRO 45 Ca 0.11 0.48 -0.29 0.00 -0.04 0.00 0.00 63.50 63.76 1um1 n PRO 45 Cb 0.52 -1.11 -0.06 0.00 -0.04 0.00 0.00 33.50 32.81 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 1.27 3.73 3.34 0.55 0.00 -1.26 -4.60 105.19 108.21 1um1 n GLY 46 Ca 0.00 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.53 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 2.30 2.20 0.07 1.61 1.04 -1.26 -4.93 113.70 114.73 1um1 s SER 47 Ca 0.64 -1.11 -0.14 0.00 0.48 0.00 0.00 55.95 55.81 1um1 s SER 47 Cb 0.20 -0.07 -0.21 0.00 0.10 0.00 0.00 66.02 66.05 1um1 s SER 47 CO -0.04 -0.35 1.22 1.55 0.98 0.00 0.00 173.24 176.60 1um1 h PRO 48 N 2.53 0.69 0.00 4.02 0.13 -1.85 0.13 132.00 137.66 1um1 h PRO 48 Ca -0.38 -0.67 -0.00 0.00 -0.87 0.00 0.00 66.00 64.07 1um1 h PRO 48 Cb 1.22 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.52 1um1 h PRO 48 CO 0.64 1.27 -0.00 0.00 -0.23 0.00 0.00 178.00 179.68 1um1 h ALA 49 N 0.44 1.40 0.02 -0.56 0.00 -1.89 -0.05 119.26 118.63 1um1 h ALA 49 Ca -0.09 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.47 1um1 h ALA 49 Cb 1.53 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1um1 h ALA 49 CO 0.18 0.00 -2.05 0.00 0.00 0.00 0.00 179.25 177.38 1um1 n ALA 50 N -2.27 1.40 0.17 0.00 0.00 -1.15 -3.86 120.51 114.80 1um1 n ALA 50 Ca -0.03 -0.96 0.05 0.00 0.00 0.00 0.00 53.44 52.50 1um1 n ALA 50 Cb 0.08 -0.53 0.50 0.00 0.00 0.00 0.00 19.45 19.50 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 0.75 1.75 0.61 0.00 0.00 0.75 -2.85 119.26 120.27 1um1 h ALA 51 Ca -0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1um1 h ALA 51 Cb 2.08 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.82 1um1 h ALA 51 CO 0.05 0.20 -0.29 -0.44 0.00 0.00 0.00 179.25 178.76 1um1 h ASP 52 N 0.16 -0.70 0.00 0.00 3.32 -1.21 -3.48 116.42 114.52 1um1 h ASP 52 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1um1 h ASP 52 Cb 0.16 0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1um1 h ASP 52 CO 0.01 -0.31 0.00 0.61 -1.72 0.00 0.00 179.24 177.83 1um1 n GLY 53 N -0.39 3.03 0.33 2.75 0.00 -1.08 -4.88 105.19 104.95 1um1 n GLY 53 Ca -0.11 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.18 1um1 n GLY 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1um1 n ARG 54 N 0.00 -0.08 -1.60 1.61 0.00 -1.26 -4.09 116.66 111.24 1um1 n ARG 54 Ca 0.00 1.42 -0.44 0.00 -0.00 0.00 0.00 57.85 58.83 1um1 n ARG 54 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 32.46 30.27 1um1 n ARG 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1um1 n LEU 55 N -5.46 3.34 -3.99 6.15 4.32 -1.26 -4.94 117.00 115.15 1um1 n LEU 55 Ca 0.17 0.41 -0.20 0.00 -0.02 0.00 0.00 56.01 56.37 1um1 n LEU 55 Cb 0.53 -1.51 -0.15 0.00 -1.62 0.00 0.00 43.42 40.67 1um1 n LEU 55 CO -0.10 -0.47 -0.43 -0.94 -1.22 0.00 0.00 177.39 174.22 1um1 s SER 56 N 7.19 1.18 0.07 -1.43 1.04 -1.26 -4.91 113.70 115.57 1um1 s SER 56 Ca 0.99 -0.18 -0.36 0.00 0.48 0.00 0.00 55.95 56.88 1um1 s SER 56 Cb -0.43 -0.32 -0.19 0.00 0.10 0.00 0.00 66.02 65.18 1um1 s SER 56 CO 0.39 0.06 0.91 0.18 0.98 0.00 0.00 173.24 175.76 1um1 n LEU 57 N 3.32 -0.30 0.00 2.42 4.32 -1.26 -1.78 117.00 123.72 1um1 n LEU 57 Ca -0.18 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.96 1um1 n LEU 57 Cb 0.54 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 1um1 n LEU 57 CO 0.25 -2.20 0.00 0.61 -1.22 0.00 0.00 177.39 174.83 1um1 n GLY 58 N 1.68 0.63 3.81 -0.72 0.00 -0.22 -4.83 105.19 105.54 1um1 n GLY 58 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1um1 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1um1 s ASP 59 N -1.92 5.55 -0.14 1.61 1.01 -0.73 -4.62 116.67 117.43 1um1 s ASP 59 Ca 0.00 1.71 0.00 0.00 0.71 0.00 0.00 52.55 54.97 1um1 s ASP 59 Cb 0.00 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.44 1um1 s ASP 59 CO 0.00 -1.32 -0.12 -0.60 0.21 0.00 0.00 175.17 173.34 1um1 s ARG 60 N -4.60 2.01 0.39 8.23 3.52 -1.26 -0.43 118.95 126.81 1um1 s ARG 60 Ca 0.60 -0.45 -0.24 0.00 -0.13 0.00 0.00 55.73 55.52 1um1 s ARG 60 Cb -0.15 -1.92 -0.10 0.00 -1.56 0.00 0.00 34.95 31.22 1um1 s ARG 60 CO 0.47 -0.25 0.99 0.42 -0.81 0.00 0.00 175.30 176.12 1um1 s ILE 61 N 1.57 4.05 -0.02 4.11 -1.09 -0.98 -1.79 121.20 127.05 1um1 s ILE 61 Ca 0.05 1.50 -0.01 0.00 -2.23 0.00 0.00 60.65 59.96 1um1 s ILE 61 Cb -0.13 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1um1 s ILE 61 CO -0.10 -0.06 -0.03 0.18 -1.23 0.00 0.00 174.94 173.70 1um1 n LEU 62 N -0.10 0.68 -4.35 2.97 4.77 0.56 -4.62 117.00 116.90 1um1 n LEU 62 Ca 0.05 0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.87 1um1 n LEU 62 Cb 0.51 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1um1 n LEU 62 CO 0.42 0.14 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.64 1um1 s GLU 63 N -2.04 1.36 -0.24 3.23 2.02 -1.15 -2.29 118.70 119.59 1um1 s GLU 63 Ca -0.03 -1.66 -0.03 0.00 0.02 0.00 0.00 54.97 53.26 1um1 s GLU 63 Cb 0.01 -0.85 0.10 0.00 0.10 0.00 0.00 34.13 33.50 1um1 s GLU 63 CO 0.04 0.01 0.22 0.08 0.02 0.00 0.00 175.26 175.64 1um1 s VAL 64 N -3.22 -0.30 -1.73 2.63 1.01 -1.07 -1.59 120.40 116.14 1um1 s VAL 64 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1um1 s VAL 64 Cb 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1um1 s VAL 64 CO 0.08 -0.35 0.00 0.59 0.00 0.00 0.00 175.10 175.42 1um1 n ASN 65 N 5.31 -5.23 -0.02 3.32 3.02 0.50 -1.30 115.26 120.86 1um1 n ASN 65 Ca -0.05 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1um1 n ASN 65 Cb 0.48 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 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 -0.89 0.53 3.04 7.41 0.00 -1.26 -4.95 105.19 109.07 1um1 n GLY 66 Ca -0.20 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.91 4.67 -0.29 1.61 0.15 -0.42 -5.07 113.70 111.45 1um1 s SER 67 Ca 0.00 -1.88 -0.41 0.00 0.70 0.00 0.00 55.95 54.36 1um1 s SER 67 Cb 0.00 -1.61 -0.16 0.00 -1.71 0.00 0.00 66.02 62.54 1um1 s SER 67 CO 0.00 -0.32 1.70 -1.54 1.20 0.00 0.00 173.24 174.28 1um1 n SER 68 N 4.32 2.17 -2.50 5.45 3.41 -1.26 -2.58 113.62 122.64 1um1 n SER 68 Ca -0.03 1.09 -0.34 0.00 -0.26 0.00 0.00 58.87 59.34 1um1 n SER 68 Cb 0.42 -1.11 0.05 0.00 -0.26 0.00 0.00 64.21 63.31 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 5.02 6.90 -4.22 1.04 -0.00 -0.97 -4.75 117.00 120.03 1um1 n LEU 69 Ca 0.27 -4.65 -0.41 0.00 -0.00 0.00 0.00 56.01 51.22 1um1 n LEU 69 Cb 0.11 -0.86 -0.04 0.00 -0.00 0.00 0.00 43.42 42.63 1um1 n LEU 69 CO 0.81 1.75 0.45 -0.76 -0.00 0.00 0.00 177.39 179.64 1um1 s LEU 70 N -3.85 5.99 0.00 -1.96 1.43 -1.26 -4.29 118.68 114.74 1um1 s LEU 70 Ca 0.57 -3.37 0.00 0.00 -1.03 0.00 0.00 54.13 50.30 1um1 s LEU 70 Cb 0.46 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1um1 s LEU 70 CO -0.16 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.72 1um1 n GLY 71 N 2.92 1.96 3.68 -3.19 0.00 -1.26 -5.08 105.19 104.22 1um1 n GLY 71 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 4.33 0.96 0.99 1.43 -1.26 -4.96 118.68 120.18 1um1 s LEU 72 Ca 0.00 2.27 -0.13 0.00 -1.03 0.00 0.00 54.13 55.24 1um1 s LEU 72 Cb 0.00 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.72 1um1 s LEU 72 CO 0.00 -0.82 0.48 0.61 0.23 0.00 0.00 176.35 176.85 1um1 n GLY 73 N 3.86 -1.83 0.17 -3.19 0.00 -1.26 -4.61 105.19 98.33 1um1 n GLY 73 Ca 0.15 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.67 0.17 0.23 1.61 5.03 -1.99 0.99 116.97 121.35 1um1 h TYR 74 Ca -0.44 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 60.88 1um1 h TYR 74 Cb 1.29 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.55 1um1 h TYR 74 CO 0.38 0.04 -0.11 -0.07 -1.32 0.00 0.00 178.16 177.08 1um1 h LEU 75 N 0.24 -0.26 -1.24 2.82 3.38 -1.98 0.28 115.31 118.55 1um1 h LEU 75 Ca 0.19 -0.08 0.23 0.00 0.09 0.00 0.00 57.88 58.31 1um1 h LEU 75 Cb 0.22 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 1um1 h LEU 75 CO -0.24 -0.08 0.63 0.03 0.09 0.00 0.00 178.44 178.87 1um1 h ARG 76 N -0.43 0.52 -0.01 1.13 2.47 -1.78 0.37 114.38 116.65 1um1 h ARG 76 Ca -0.03 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1um1 h ARG 76 Cb 0.32 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1um1 h ARG 76 CO 0.05 0.35 -0.05 0.00 0.56 0.00 0.00 179.97 180.88 1um1 h ALA 77 N 1.64 0.02 -0.57 0.04 0.00 -0.32 -2.15 119.26 117.92 1um1 h ALA 77 Ca 0.57 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1um1 h ALA 77 Cb 1.21 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1um1 h ALA 77 CO -0.32 -0.12 0.07 0.28 0.00 0.00 0.00 179.25 179.15 1um1 h VAL 78 N -0.56 0.60 -0.09 0.00 2.07 0.16 -0.13 116.25 118.31 1um1 h VAL 78 Ca -0.00 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1um1 h VAL 78 Cb 0.69 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1um1 h VAL 78 CO 0.01 0.03 -0.02 -0.78 0.02 0.00 0.00 177.57 176.83 1um1 h ASP 79 N 0.19 -0.08 -0.67 0.57 3.58 -0.40 0.71 116.42 120.32 1um1 h ASP 79 Ca 0.30 0.03 0.13 0.00 0.42 0.00 0.00 57.03 57.91 1um1 h ASP 79 Cb 0.46 0.05 -0.13 0.00 1.72 0.00 0.00 39.33 41.43 1um1 h ASP 79 CO -0.43 -0.03 -0.20 -0.07 -2.88 0.00 0.00 179.24 175.62 1um1 h LEU 80 N 0.00 -0.74 -0.40 2.28 3.38 -0.38 0.69 115.31 120.14 1um1 h LEU 80 Ca 0.04 0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 1um1 h LEU 80 Cb 0.06 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1um1 h LEU 80 CO -0.09 -0.24 -0.15 0.40 0.09 0.00 0.00 178.44 178.44 1um1 h ILE 81 N -0.03 1.28 -0.08 1.22 5.03 -0.59 -2.07 117.51 122.27 1um1 h ILE 81 Ca 0.31 -1.28 0.04 0.00 -0.12 0.00 0.00 64.86 63.82 1um1 h ILE 81 Cb 0.51 1.26 -0.06 0.00 -3.03 0.00 0.00 36.82 35.51 1um1 h ILE 81 CO -0.70 0.43 -0.32 0.03 -0.68 0.00 0.00 178.15 176.90 1um1 h ARG 82 N 0.62 -0.41 -1.21 2.37 2.47 0.40 0.07 114.38 118.69 1um1 h ARG 82 Ca 0.09 0.03 -0.39 0.00 -1.26 0.00 0.00 59.98 58.46 1um1 h ARG 82 Cb 0.70 0.09 -0.19 0.00 -1.65 0.00 0.00 29.97 28.92 1um1 h ARG 82 CO 0.05 -0.28 0.49 0.72 0.56 0.00 0.00 179.97 181.52 1um1 n HIS 83 N -5.41 2.00 0.00 3.04 8.25 0.20 -4.79 115.22 118.51 1um1 n HIS 83 Ca -0.04 -1.88 0.00 0.00 -0.26 0.00 0.00 57.72 55.54 1um1 n HIS 83 Cb 0.33 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.51 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 -0.25 0.00 0.00 -1.41 0.00 0.01 -4.93 105.19 98.61 1um1 n GLY 84 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 -0.34 5.00 -0.02 0.00 -1.26 -4.94 105.19 103.63 1um1 n GLY 85 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1um1 n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1um1 n LYS 86 N 0.00 0.00 -3.39 1.61 4.81 -1.26 -4.70 118.16 115.23 1um1 n LYS 86 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1um1 n LYS 86 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1um1 n LYS 86 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1um1 s LYS 87 N 0.00 3.22 -0.28 1.64 1.02 -1.26 -1.87 119.74 122.22 1um1 s LYS 87 Ca 0.00 -0.71 -0.10 0.00 0.02 0.00 0.00 55.97 55.17 1um1 s LYS 87 Cb 0.00 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.35 1um1 s LYS 87 CO 0.00 -0.71 0.17 -1.64 -0.92 0.00 0.00 175.35 172.24 1um1 s MET 88 N 1.98 3.83 -0.11 1.68 -1.94 -0.09 -4.93 119.30 119.71 1um1 s MET 88 Ca 0.10 -0.39 -0.01 0.00 -1.71 0.00 0.00 55.69 53.68 1um1 s MET 88 Cb -0.17 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 33.05 1um1 s MET 88 CO 0.12 -0.21 -0.08 1.03 -0.01 0.00 0.00 175.02 175.87 1um1 s ARG 89 N 1.72 3.21 -0.04 2.03 0.52 -1.26 -0.67 118.95 124.47 1um1 s ARG 89 Ca 0.07 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 1um1 s ARG 89 Cb -0.16 -2.69 0.01 0.00 0.52 0.00 0.00 34.95 32.62 1um1 s ARG 89 CO 0.09 0.40 -0.09 -0.06 0.02 0.00 0.00 175.30 175.66 1um1 s PHE 90 N -0.10 1.04 -0.78 -0.53 0.08 -0.38 0.19 117.98 117.50 1um1 s PHE 90 Ca 0.00 -0.29 -0.10 0.00 0.12 0.00 0.00 56.93 56.66 1um1 s PHE 90 Cb -0.13 -0.76 0.20 0.00 -0.57 0.00 0.00 43.02 41.76 1um1 s PHE 90 CO 0.03 -0.14 0.68 -1.17 -0.10 0.00 0.00 175.22 174.51 1um1 s LEU 91 N 0.36 6.24 0.19 -0.37 2.96 -0.62 -0.78 118.68 126.65 1um1 s LEU 91 Ca -0.06 -2.81 0.05 0.00 -0.22 0.00 0.00 54.13 51.08 1um1 s LEU 91 Cb -0.11 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1um1 s LEU 91 CO 0.01 -0.49 0.22 0.54 -1.32 0.00 0.00 176.35 175.31 1um1 s VAL 92 N -0.01 4.80 0.22 1.68 0.11 -1.06 0.21 120.40 126.35 1um1 s VAL 92 Ca 0.18 -1.03 0.07 0.00 -2.93 0.00 0.00 61.98 58.28 1um1 s VAL 92 Cb -0.13 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 1um1 s VAL 92 CO -0.07 -0.18 0.07 0.00 -3.33 0.00 0.00 175.10 171.59 1um1 s ALA 93 N -1.86 3.35 -0.82 1.54 0.00 -0.74 -1.32 121.76 121.92 1um1 s ALA 93 Ca 0.33 -1.43 -0.24 0.00 0.00 0.00 0.00 51.96 50.61 1um1 s ALA 93 Cb -0.10 -1.08 0.06 0.00 0.00 0.00 0.00 23.12 22.01 1um1 s ALA 93 CO 0.26 0.36 1.23 0.21 0.00 0.00 0.00 175.76 177.82 1um1 s LYS 94 N -3.41 3.33 1.07 0.00 2.36 -1.20 -4.08 119.74 117.82 1um1 s LYS 94 Ca 0.30 -0.81 -0.18 0.00 -2.55 0.00 0.00 55.97 52.74 1um1 s LYS 94 Cb -0.08 -4.60 0.25 0.00 -1.05 0.00 0.00 37.83 32.34 1um1 s LYS 94 CO 0.21 -2.04 1.25 -1.12 1.55 0.00 0.00 175.35 175.21 1um1 s SER 95 N 4.04 2.10 0.26 1.43 0.01 -1.26 -4.83 113.70 115.45 1um1 s SER 95 Ca 0.35 0.34 0.06 0.00 1.31 0.00 0.00 55.95 58.01 1um1 s SER 95 Cb -0.08 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 1um1 s SER 95 CO 0.04 -3.37 0.32 -1.81 0.41 0.00 0.00 173.24 168.83 1um1 s ASP 96 N -4.56 5.99 0.11 2.44 1.11 -1.26 -5.03 116.67 115.48 1um1 s ASP 96 Ca 0.74 -0.08 -0.31 0.00 0.18 0.00 0.00 52.55 53.08 1um1 s ASP 96 Cb -0.05 -1.62 -0.10 0.00 1.07 0.00 0.00 42.92 42.22 1um1 s ASP 96 CO 0.54 -0.10 1.58 1.62 1.18 0.00 0.00 175.17 179.99 1um1 h VAL 97 N 1.25 0.13 -0.75 -1.27 3.04 -1.98 -2.20 116.25 114.47 1um1 h VAL 97 Ca -0.50 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.28 1um1 h VAL 97 Cb 1.24 0.13 -0.12 0.00 -2.01 0.00 0.00 31.29 30.53 1um1 h VAL 97 CO 0.60 0.00 -0.49 -0.33 -1.01 0.00 0.00 177.57 176.34 1um1 h GLU 98 N -0.65 -0.14 -1.25 4.17 5.08 -1.99 1.15 114.58 120.96 1um1 h GLU 98 Ca 0.02 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.77 1um1 h GLU 98 Cb 0.69 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.86 1um1 h GLU 98 CO -0.27 -0.09 0.82 1.15 -1.00 0.00 0.00 179.01 179.62 1um1 h THR 99 N -0.14 0.28 -0.13 1.13 2.02 -1.80 1.15 112.91 115.42 1um1 h THR 99 Ca 0.19 -0.06 -0.18 0.00 0.77 0.00 0.00 66.41 67.13 1um1 h THR 99 Cb 0.53 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1um1 h THR 99 CO -0.80 0.03 -0.62 0.00 0.37 0.00 0.00 175.52 174.50 1um1 h ALA 100 N 1.55 0.25 -0.67 6.16 0.00 0.17 -3.11 119.26 123.61 1um1 h ALA 100 Ca 0.72 -0.55 0.13 0.00 0.00 0.00 0.00 54.91 55.21 1um1 h ALA 100 Cb 2.24 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.90 1um1 h ALA 100 CO -0.31 0.51 -0.25 0.87 0.00 0.00 0.00 179.25 180.08 1um1 h LYS 101 N 0.30 -0.07 -0.96 0.00 1.57 0.34 0.87 116.57 118.63 1um1 h LYS 101 Ca -0.04 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1um1 h LYS 101 Cb 1.26 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.51 1um1 h LYS 101 CO 0.13 -0.04 0.60 0.87 -0.57 0.00 0.00 179.45 180.44 1um1 h LYS 102 N -0.07 1.01 0.00 3.15 1.57 -1.44 0.65 116.57 121.44 1um1 h LYS 102 Ca 0.30 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1um1 h LYS 102 Cb 0.54 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1um1 h LYS 102 CO -0.72 0.67 0.00 0.82 -0.57 0.00 0.00 179.45 179.65 1um1 h ILE 103 N 1.04 0.00 -3.52 1.86 1.08 0.72 -2.83 117.51 115.86 1um1 h ILE 103 Ca 0.44 -0.15 -0.71 0.00 -0.39 0.00 0.00 64.86 64.05 1um1 h ILE 103 Cb 0.30 0.95 -0.27 0.00 -3.07 0.00 0.00 36.82 34.73 1um1 h ILE 103 CO -0.21 0.00 -0.50 -1.00 -0.69 0.00 0.00 178.15 175.75 1um1 s HIS 104 N -3.73 3.30 0.34 1.37 3.76 0.23 -4.91 115.29 115.65 1um1 s HIS 104 Ca -0.01 -1.35 0.11 0.00 -0.15 0.00 0.00 55.06 53.66 1um1 s HIS 104 Cb 0.10 -2.71 1.06 0.00 1.11 0.00 0.00 32.58 32.13 1um1 s HIS 104 CO 0.37 -0.77 1.57 0.45 -0.85 0.00 0.00 174.74 175.51 1um1 n SER 105 N 4.93 0.12 0.00 1.40 2.88 -1.26 -4.85 113.62 116.84 1um1 n SER 105 Ca -0.11 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 1um1 n SER 105 Cb 0.44 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1um1 n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1um1 n GLY 106 N -1.38 0.93 2.58 0.46 0.00 -1.26 -4.92 105.19 101.60 1um1 n GLY 106 Ca 0.31 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1um1 n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1um1 n PRO 107 N 0.82 2.64 -2.04 1.61 -0.04 -1.26 -4.70 135.00 132.04 1um1 n PRO 107 Ca 0.00 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 1um1 n PRO 107 Cb 0.00 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 1um1 n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1um1 n SER 108 N 4.58 -8.69 -4.55 3.54 7.64 -1.26 -5.01 113.62 109.86 1um1 n SER 108 Ca 0.57 1.39 -0.31 0.00 1.01 0.00 0.00 58.87 61.53 1um1 n SER 108 Cb 0.22 -4.88 -0.11 0.00 -1.01 0.00 0.00 64.21 58.44 1um1 n SER 108 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1um1 s SER 109 N -0.50 4.36 0.00 6.43 0.15 -1.26 -5.27 113.70 117.61 1um1 s SER 109 Ca 0.00 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1um1 s SER 109 Cb 0.00 -0.92 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 1um1 s SER 109 CO 0.00 0.26 0.36 0.61 1.20 0.00 0.00 173.24 175.67