#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 0.00 0.00 1.61 4.64 -2.14 -3.48 113.55 114.18 1um1 h SER 2 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1um1 h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1um1 h SER 2 CO 0.00 0.81 -0.03 -0.24 -0.87 0.00 0.00 176.83 176.49 1um1 n SER 3 N -4.63 -0.00 0.00 4.97 2.88 -1.26 -5.18 113.62 110.41 1um1 n SER 3 Ca -0.09 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1um1 n SER 3 Cb 0.27 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1um1 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1um1 n GLY 4 N 1.77 0.67 2.82 0.46 0.00 -1.26 -5.07 105.19 104.58 1um1 n GLY 4 Ca 0.00 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 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 -4.00 0.37 0.18 1.61 0.01 -1.26 -5.02 113.70 105.59 1um1 s SER 5 Ca 0.00 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1um1 s SER 5 Cb 0.00 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1um1 s SER 5 CO 0.00 -0.10 0.00 -0.24 0.41 0.00 0.00 173.24 173.31 1um1 n SER 6 N 4.09 -0.06 -4.59 2.44 2.88 -1.26 -5.10 113.62 112.02 1um1 n SER 6 Ca -0.27 0.30 -0.43 0.00 -1.33 0.00 0.00 58.87 57.15 1um1 n SER 6 Cb 0.51 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 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 1.63 -0.34 3.79 0.46 0.00 -1.26 -5.00 105.19 104.47 1um1 n GLY 7 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.21 2.67 0.29 1.61 -0.85 -1.26 -4.95 117.35 113.65 1um1 s TYR 8 Ca 0.61 -0.51 0.10 0.00 -0.52 0.00 0.00 57.07 56.75 1um1 s TYR 8 Cb -0.62 -1.97 -0.06 0.00 0.38 0.00 0.00 41.96 39.70 1um1 s TYR 8 CO 0.58 0.11 -0.13 0.54 -1.52 0.00 0.00 175.55 175.13 1um1 s VAL 9 N -2.52 2.18 -0.01 -3.49 0.11 -1.26 0.19 120.40 115.60 1um1 s VAL 9 Ca 0.43 -2.27 -0.09 0.00 -2.93 0.00 0.00 61.98 57.12 1um1 s VAL 9 Cb 0.00 -2.42 0.01 0.00 -1.53 0.00 0.00 36.38 32.44 1um1 s VAL 9 CO 0.24 -0.34 0.18 0.72 -3.33 0.00 0.00 175.10 172.58 1um1 s PHE 10 N -2.68 -0.03 0.38 1.54 -0.71 -0.23 -4.87 117.98 111.38 1um1 s PHE 10 Ca 0.30 0.01 -0.04 0.00 -1.04 0.00 0.00 56.93 56.16 1um1 s PHE 10 Cb -0.00 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 1um1 s PHE 10 CO 0.14 -0.30 0.64 0.99 -1.34 0.00 0.00 175.22 175.35 1um1 s THR 11 N -1.27 5.00 -0.16 -4.49 2.01 -1.26 -2.22 115.64 113.25 1um1 s THR 11 Ca -0.13 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 1um1 s THR 11 Cb -0.07 -3.82 0.06 0.00 0.01 0.00 0.00 72.50 68.69 1um1 s THR 11 CO 0.02 -0.58 0.11 -0.69 -0.69 0.00 0.00 174.62 172.79 1um1 s VAL 12 N -2.39 -0.13 -0.29 3.82 1.01 -0.16 -4.95 120.40 117.31 1um1 s VAL 12 Ca 0.44 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 1um1 s VAL 12 Cb -0.10 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1um1 s VAL 12 CO 0.37 -0.20 0.04 -1.61 0.00 0.00 0.00 175.10 173.70 1um1 s GLU 13 N 2.18 2.86 0.37 2.72 2.02 -1.26 -0.94 118.70 126.64 1um1 s GLU 13 Ca 0.03 -0.99 0.05 0.00 0.02 0.00 0.00 54.97 54.08 1um1 s GLU 13 Cb -0.15 -3.26 -0.07 0.00 0.10 0.00 0.00 34.13 30.74 1um1 s GLU 13 CO -0.09 -0.49 0.04 -0.51 0.02 0.00 0.00 175.26 174.23 1um1 s LEU 14 N 1.41 2.47 -0.24 1.80 1.43 0.40 -4.97 118.68 120.97 1um1 s LEU 14 Ca 0.00 -1.39 -0.05 0.00 -1.03 0.00 0.00 54.13 51.66 1um1 s LEU 14 Cb -0.18 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 1um1 s LEU 14 CO 0.00 -0.56 0.00 -1.61 0.23 0.00 0.00 176.35 174.42 1um1 s GLU 15 N -3.81 3.38 -0.31 1.70 2.02 -1.26 -0.57 118.70 119.84 1um1 s GLU 15 Ca 0.35 -0.64 -0.35 0.00 0.02 0.00 0.00 54.97 54.35 1um1 s GLU 15 Cb 0.09 -3.14 -0.12 0.00 0.10 0.00 0.00 34.13 31.06 1um1 s GLU 15 CO 0.16 -0.24 2.12 -2.13 0.02 0.00 0.00 175.26 175.19 1um1 n ARG 16 N 4.83 1.23 -0.91 1.61 0.63 -0.55 -4.77 116.66 118.73 1um1 n ARG 16 Ca -0.17 0.36 -0.18 0.00 -0.92 0.00 0.00 57.85 56.94 1um1 n ARG 16 Cb 0.50 -2.48 0.14 0.00 0.45 0.00 0.00 32.46 31.07 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 6.08 -1.95 0.00 5.14 0.00 -1.26 -4.83 105.19 108.37 1um1 n GLY 17 Ca 0.38 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.08 0.26 -0.04 1.61 -0.04 -1.26 -2.45 135.00 130.00 1um1 n PRO 18 Ca 0.10 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.67 1um1 n PRO 18 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.41 0.00 3.54 7.64 -1.26 -5.01 113.62 117.61 1um1 n SER 19 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1um1 n SER 19 Cb 0.19 1.58 0.00 0.00 -1.01 0.00 0.00 64.21 64.97 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 1.54 0.62 7.00 0.23 0.00 -1.02 -4.97 105.19 108.59 1um1 n GLY 20 Ca -0.13 -0.18 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 0.00 0.00 0.00 0.99 4.77 -1.26 -4.78 117.00 116.72 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 -2.03 3.22 -0.72 0.00 -1.26 -4.44 105.19 99.96 1um1 n GLY 22 Ca 0.00 0.97 -0.11 0.00 0.00 0.00 0.00 46.02 46.88 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 -1.15 1.61 1.00 -1.26 -2.57 119.30 117.27 1um1 s MET 23 Ca 0.00 0.77 -0.10 0.00 0.00 0.00 0.00 55.69 56.36 1um1 s MET 23 Cb 0.00 -0.00 0.24 0.00 0.00 0.00 0.00 34.83 35.07 1um1 s MET 23 CO 0.00 -0.17 1.31 0.41 0.00 0.00 0.00 175.02 176.57 1um1 n GLY 24 N 4.43 4.12 3.82 -0.03 0.00 0.16 -4.90 105.19 112.80 1um1 n GLY 24 Ca -0.21 -2.39 -0.32 0.00 0.00 0.00 0.00 46.02 43.09 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 -0.56 3.49 -0.14 0.99 2.01 -1.26 0.18 118.68 123.40 1um1 s LEU 25 Ca 0.35 1.67 -0.29 0.00 0.01 0.00 0.00 54.13 55.87 1um1 s LEU 25 Cb -0.05 -4.52 0.10 0.00 0.01 0.00 0.00 46.19 41.74 1um1 s LEU 25 CO -0.03 -0.95 0.84 -0.51 1.01 0.00 0.00 176.35 176.71 1um1 s ILE 26 N -2.63 0.00 0.66 -0.59 2.07 -0.17 -4.80 121.20 115.73 1um1 s ILE 26 Ca 0.61 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.70 1um1 s ILE 26 Cb -0.13 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.46 1um1 s ILE 26 CO 0.38 0.00 1.09 1.51 -1.91 0.00 0.00 174.94 176.01 1um1 s ASP 27 N -0.86 5.25 -0.11 4.50 1.47 -1.26 -2.62 116.67 123.04 1um1 s ASP 27 Ca -0.05 1.89 -0.00 0.00 1.18 0.00 0.00 52.55 55.57 1um1 s ASP 27 Cb -0.01 -2.54 0.10 0.00 -0.34 0.00 0.00 42.92 40.13 1um1 s ASP 27 CO 0.04 -1.53 1.78 0.61 0.68 0.00 0.00 175.17 176.75 1um1 n GLY 28 N -0.86 2.95 0.24 2.12 0.00 -0.94 -3.90 105.19 104.82 1um1 n GLY 28 Ca 0.09 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1um1 n GLY 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1um1 n MET 29 N 0.82 0.50 0.12 1.61 2.81 -1.22 0.29 117.12 122.04 1um1 n MET 29 Ca 0.12 0.22 -0.02 0.00 -1.81 0.00 0.00 57.70 56.20 1um1 n MET 29 Cb 0.58 -1.35 0.07 0.00 -0.71 0.00 0.00 33.22 31.81 1um1 n MET 29 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1um1 h HIS 30 N -0.87 0.00 -4.29 2.03 2.07 -1.94 -3.40 115.15 108.75 1um1 h HIS 30 Ca -0.51 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 56.52 1um1 h HIS 30 Cb 1.42 0.00 0.04 0.00 2.57 0.00 0.00 27.41 31.44 1um1 h HIS 30 CO -0.13 0.71 0.40 0.95 -3.07 0.00 0.00 177.93 176.79 1um1 s THR 31 N -3.21 4.65 0.62 6.12 -4.23 -1.26 -4.89 115.64 113.45 1um1 s THR 31 Ca 0.00 0.99 0.24 0.00 -1.18 0.00 0.00 61.69 61.75 1um1 s THR 31 Cb 0.11 -3.82 0.31 0.00 1.34 0.00 0.00 72.50 70.44 1um1 s THR 31 CO 0.77 -0.99 1.64 0.45 -0.54 0.00 0.00 174.62 175.96 1um1 h HIS 32 N 0.12 0.00 -0.97 3.99 3.86 -1.75 -1.59 115.15 118.81 1um1 h HIS 32 Ca -0.45 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 58.85 1um1 h HIS 32 Cb 1.19 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.54 1um1 h HIS 32 CO 0.65 0.00 -0.57 -0.11 0.86 0.00 0.00 177.93 178.76 1um1 n LEU 33 N -3.21 -1.02 -0.32 2.43 7.94 -1.26 -4.78 117.00 116.78 1um1 n LEU 33 Ca 0.08 1.73 -0.04 0.00 -1.11 0.00 0.00 56.01 56.67 1um1 n LEU 33 Cb 0.83 -0.23 -0.02 0.00 0.53 0.00 0.00 43.42 44.53 1um1 n LEU 33 CO 0.19 -1.42 -0.04 0.61 -1.11 0.00 0.00 177.39 175.62 1um1 n GLY 34 N -1.25 0.69 3.09 -3.96 0.00 0.15 -5.00 105.19 98.92 1um1 n GLY 34 Ca 0.02 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.05 1.01 0.09 4.61 0.00 0.85 -4.89 121.76 121.38 1um1 s ALA 35 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 1um1 s ALA 35 Cb 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 1um1 s ALA 35 CO 0.00 0.22 1.15 -1.25 0.00 0.00 0.00 175.76 175.88 1um1 s PRO 36 N -0.62 4.49 0.00 0.00 0.04 -1.26 -2.21 135.00 135.45 1um1 s PRO 36 Ca 0.03 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1um1 s PRO 36 Cb -0.06 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1um1 s PRO 36 CO 0.00 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1um1 n GLY 37 N 2.83 -0.56 3.10 0.56 0.00 -1.26 -4.85 105.19 105.01 1um1 n GLY 37 Ca 0.07 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 1um1 n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1um1 s LEU 38 N 0.00 2.03 0.14 0.99 1.98 -1.26 -3.69 118.68 118.88 1um1 s LEU 38 Ca 0.00 -0.25 -0.23 0.00 -2.89 0.00 0.00 54.13 50.77 1um1 s LEU 38 Cb 0.00 -0.68 0.07 0.00 0.66 0.00 0.00 46.19 46.23 1um1 s LEU 38 CO 0.00 0.16 0.58 -0.31 -1.89 0.00 0.00 176.35 174.89 1um1 s TYR 39 N -0.33 -0.51 0.19 5.38 1.51 -1.08 -2.52 117.35 119.99 1um1 s TYR 39 Ca 0.05 0.32 -0.28 0.00 -1.01 0.00 0.00 57.07 56.16 1um1 s TYR 39 Cb -0.05 0.52 -0.08 0.00 -0.11 0.00 0.00 41.96 42.23 1um1 s TYR 39 CO -0.00 -0.82 0.86 0.42 -1.11 0.00 0.00 175.55 174.89 1um1 s ILE 40 N -3.61 4.25 -0.05 2.71 1.01 -0.06 -1.00 121.20 124.46 1um1 s ILE 40 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.55 1um1 s ILE 40 Cb -0.01 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1um1 s ILE 40 CO -0.12 0.50 -0.04 1.67 0.00 0.00 0.00 174.94 176.95 1um1 n GLN 41 N 1.65 0.20 -3.94 2.79 7.27 0.48 0.25 117.38 126.07 1um1 n GLN 41 Ca -0.04 0.03 -0.09 0.00 0.07 0.00 0.00 57.00 56.97 1um1 n GLN 41 Cb 0.48 -1.10 -0.07 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 -2.10 0.08 -0.34 1.69 -4.23 -0.99 -4.80 115.64 104.94 1um1 s THR 42 Ca -0.07 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1um1 s THR 42 Cb 0.02 -1.77 0.10 0.00 1.34 0.00 0.00 72.50 72.19 1um1 s THR 42 CO 0.12 -0.34 0.08 -0.76 -0.54 0.00 0.00 174.62 173.17 1um1 s LEU 43 N -2.95 4.03 0.28 4.79 2.01 -1.26 0.41 118.68 125.97 1um1 s LEU 43 Ca 0.15 -2.07 -0.25 0.00 0.01 0.00 0.00 54.13 51.97 1um1 s LEU 43 Cb 0.04 -1.41 -0.16 0.00 0.01 0.00 0.00 46.19 44.66 1um1 s LEU 43 CO -0.02 -0.38 0.37 -0.11 1.01 0.00 0.00 176.35 177.22 1um1 n LEU 44 N 4.35 -1.79 -4.82 1.79 0.00 -1.06 -4.77 117.00 110.70 1um1 n LEU 44 Ca 0.03 1.01 -0.31 0.00 0.00 0.00 0.00 56.01 56.73 1um1 n LEU 44 Cb 0.41 -0.93 0.04 0.00 0.00 0.00 0.00 43.42 42.94 1um1 n LEU 44 CO 0.20 -3.41 0.71 -2.16 0.00 0.00 0.00 177.39 172.73 1um1 s PRO 45 N -1.01 3.08 -0.30 1.96 0.04 -1.26 -3.37 135.00 134.13 1um1 s PRO 45 Ca 0.62 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1um1 s PRO 45 Cb -0.82 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1um1 s PRO 45 CO 0.59 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1um1 n GLY 46 N -1.72 -0.28 3.98 0.56 0.00 -1.26 -4.88 105.19 101.59 1um1 n GLY 46 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.81 5.45 -0.08 1.61 1.04 -1.22 -5.03 113.70 113.66 1um1 s SER 47 Ca 0.00 -0.55 -0.26 0.00 0.48 0.00 0.00 55.95 55.61 1um1 s SER 47 Cb 0.00 -0.51 -0.22 0.00 0.10 0.00 0.00 66.02 65.39 1um1 s SER 47 CO 0.00 -0.81 0.97 1.55 0.98 0.00 0.00 173.24 175.93 1um1 h PRO 48 N 0.67 -0.02 0.15 4.02 0.13 -1.88 -2.24 132.00 132.84 1um1 h PRO 48 Ca -0.39 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1um1 h PRO 48 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1um1 h PRO 48 CO 0.47 0.69 -0.44 0.00 -0.23 0.00 0.00 178.00 178.49 1um1 h ALA 49 N 0.16 -0.81 -0.91 -0.56 0.00 -1.88 0.64 119.26 115.91 1um1 h ALA 49 Ca -0.00 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 54.97 1um1 h ALA 49 Cb 0.72 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 1um1 h ALA 49 CO 0.00 -1.02 0.51 0.00 0.00 0.00 0.00 179.25 178.74 1um1 h ALA 50 N -0.28 1.41 -0.33 0.00 0.00 -1.68 0.52 119.26 118.89 1um1 h ALA 50 Ca 0.01 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1um1 h ALA 50 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1um1 h ALA 50 CO -0.23 -0.02 0.02 0.00 0.00 0.00 0.00 179.25 179.01 1um1 h ALA 51 N 1.57 1.42 -1.03 0.00 0.00 -0.48 -2.03 119.26 118.70 1um1 h ALA 51 Ca 0.49 -0.18 0.28 0.00 0.00 0.00 0.00 54.91 55.51 1um1 h ALA 51 Cb 0.68 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.20 1um1 h ALA 51 CO -0.35 0.41 0.62 0.22 0.00 0.00 0.00 179.25 180.16 1um1 h ASP 52 N 0.49 0.56 0.00 0.00 3.58 0.55 -3.44 116.42 118.15 1um1 h ASP 52 Ca 0.11 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1um1 h ASP 52 Cb 0.29 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1um1 h ASP 52 CO 0.01 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 1um1 n GLY 53 N -1.36 1.52 0.22 -0.78 0.00 -0.77 -4.59 105.19 99.44 1um1 n GLY 53 Ca 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.70 1.61 1.12 -1.86 -3.37 114.38 106.30 1um1 h ARG 54 Ca 0.00 -0.01 -0.54 0.00 -1.11 0.00 0.00 59.98 58.33 1um1 h ARG 54 Cb 0.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 1um1 h ARG 54 CO 0.00 0.08 1.58 1.28 -3.11 0.00 0.00 179.97 179.80 1um1 n LEU 55 N -5.26 2.25 -4.98 3.80 4.77 -1.26 -4.92 117.00 111.41 1um1 n LEU 55 Ca 0.08 -0.09 -0.18 0.00 -0.03 0.00 0.00 56.01 55.79 1um1 n LEU 55 Cb 0.32 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1um1 n LEU 55 CO 0.13 -1.11 0.11 -0.44 -1.33 0.00 0.00 177.39 174.75 1um1 s SER 56 N 10.00 5.56 0.04 -1.43 0.01 -1.26 -4.90 113.70 121.73 1um1 s SER 56 Ca 1.06 -0.47 -0.28 0.00 1.31 0.00 0.00 55.95 57.57 1um1 s SER 56 Cb -0.48 -0.69 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 1um1 s SER 56 CO 0.35 -0.71 0.88 -0.76 0.41 0.00 0.00 173.24 173.41 1um1 s LEU 57 N -4.29 4.43 0.00 2.44 1.43 -1.26 -3.35 118.68 118.08 1um1 s LEU 57 Ca 0.53 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 1um1 s LEU 57 Cb -0.09 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1um1 s LEU 57 CO 0.32 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1um1 n GLY 58 N 2.54 3.05 3.13 -3.19 0.00 0.14 -4.55 105.19 106.31 1um1 n GLY 58 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.81 -4.10 1.61 8.00 -1.21 -4.37 116.55 111.66 1um1 n ASP 59 Ca 0.00 0.26 -0.31 0.00 0.71 0.00 0.00 54.79 55.44 1um1 n ASP 59 Cb 0.00 -0.89 -0.16 0.00 -0.02 0.00 0.00 41.12 40.05 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 -2.36 2.69 0.39 -1.24 3.52 -1.26 -0.88 118.95 119.82 1um1 s ARG 60 Ca 0.46 -0.72 -0.24 0.00 -0.13 0.00 0.00 55.73 55.10 1um1 s ARG 60 Cb -0.21 -2.29 -0.09 0.00 -1.56 0.00 0.00 34.95 30.79 1um1 s ARG 60 CO 0.77 -0.14 1.01 0.42 -0.81 0.00 0.00 175.30 176.55 1um1 s ILE 61 N 1.16 3.96 0.00 4.11 -1.09 -1.05 -1.84 121.20 126.45 1um1 s ILE 61 Ca -0.00 1.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.87 1um1 s ILE 61 Cb -0.14 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1um1 s ILE 61 CO -0.07 -0.04 0.00 0.18 -1.23 0.00 0.00 174.94 173.77 1um1 n LEU 62 N -0.10 1.30 -4.29 2.97 4.77 0.50 -4.69 117.00 117.47 1um1 n LEU 62 Ca 0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 1um1 n LEU 62 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1um1 n LEU 62 CO 0.43 0.20 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.69 1um1 s GLU 63 N -1.96 1.19 -0.24 3.23 2.02 -1.18 -2.22 118.70 119.54 1um1 s GLU 63 Ca 0.00 -1.55 -0.03 0.00 0.02 0.00 0.00 54.97 53.41 1um1 s GLU 63 Cb 0.00 -0.66 0.11 0.00 0.10 0.00 0.00 34.13 33.67 1um1 s GLU 63 CO 0.00 0.02 0.22 0.08 0.02 0.00 0.00 175.26 175.60 1um1 s VAL 64 N -3.33 -0.29 -0.69 2.63 1.01 -1.17 -1.47 120.40 117.08 1um1 s VAL 64 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1um1 s VAL 64 Cb 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1um1 s VAL 64 CO 0.04 -0.38 0.00 -3.20 0.00 0.00 0.00 175.10 171.57 1um1 n ASN 65 N 5.30 -3.91 -0.14 3.32 2.85 0.13 -2.60 115.26 120.21 1um1 n ASN 65 Ca -0.05 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1um1 n ASN 65 Cb 0.47 -1.99 0.00 0.00 1.24 0.00 0.00 39.78 39.51 1um1 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1um1 n GLY 66 N -2.02 0.64 2.81 8.20 0.00 -1.26 -4.91 105.19 108.65 1um1 n GLY 66 Ca -0.07 -0.76 -0.30 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 -2.92 4.04 -0.11 1.61 0.15 -1.07 -5.09 113.70 110.31 1um1 s SER 67 Ca 0.00 -1.60 -0.39 0.00 0.70 0.00 0.00 55.95 54.66 1um1 s SER 67 Cb 0.00 -1.01 -0.19 0.00 -1.71 0.00 0.00 66.02 63.11 1um1 s SER 67 CO 0.00 -0.38 1.13 -1.20 1.20 0.00 0.00 173.24 173.99 1um1 n SER 68 N 4.75 0.26 -1.62 5.45 7.64 -1.26 -3.06 113.62 125.77 1um1 n SER 68 Ca -0.03 1.10 -0.16 0.00 1.01 0.00 0.00 58.87 60.80 1um1 n SER 68 Cb 0.43 -0.86 0.10 0.00 -1.01 0.00 0.00 64.21 62.86 1um1 n SER 68 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1um1 n LEU 69 N 1.97 4.63 -4.49 -3.43 4.77 -0.94 -4.92 117.00 114.57 1um1 n LEU 69 Ca 0.21 -4.37 -0.43 0.00 -0.03 0.00 0.00 56.01 51.39 1um1 n LEU 69 Cb 0.05 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.57 1um1 n LEU 69 CO 0.64 1.76 0.35 -0.76 -1.33 0.00 0.00 177.39 178.05 1um1 s LEU 70 N -3.49 4.66 0.00 2.23 1.43 -1.26 -3.83 118.68 118.42 1um1 s LEU 70 Ca 0.49 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1um1 s LEU 70 Cb 0.41 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1um1 s LEU 70 CO 0.00 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.39 1um1 n GLY 71 N 5.09 2.54 3.75 -3.19 0.00 -1.26 -5.06 105.19 107.06 1um1 n GLY 71 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 4.40 0.56 0.99 1.43 -1.25 -4.97 118.68 119.84 1um1 s LEU 72 Ca 0.00 2.57 -0.20 0.00 -1.03 0.00 0.00 54.13 55.47 1um1 s LEU 72 Cb 0.00 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1um1 s LEU 72 CO 0.00 -0.61 1.19 -0.83 0.23 0.00 0.00 176.35 176.32 1um1 s GLY 73 N 0.24 2.72 0.25 -3.19 0.00 -1.26 -4.70 107.32 101.38 1um1 s GLY 73 Ca 0.57 0.96 -0.12 0.00 0.00 0.00 0.00 44.72 46.13 1um1 s GLY 73 CO 0.43 1.36 1.58 -1.82 0.00 0.00 0.00 173.10 174.65 1um1 h TYR 74 N 1.18 -0.57 0.28 1.90 5.03 -1.93 0.50 116.97 123.37 1um1 h TYR 74 Ca -0.50 0.08 0.00 0.00 2.58 0.00 0.00 58.73 60.89 1um1 h TYR 74 Cb 1.28 0.38 -0.03 0.00 1.55 0.00 0.00 36.73 39.91 1um1 h TYR 74 CO 0.49 -0.38 -0.40 -0.07 -1.32 0.00 0.00 178.16 176.48 1um1 h LEU 75 N -0.02 -1.13 -1.17 2.82 3.38 -1.99 0.80 115.31 118.01 1um1 h LEU 75 Ca 0.39 0.11 0.18 0.00 0.09 0.00 0.00 57.88 58.65 1um1 h LEU 75 Cb 0.62 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 1um1 h LEU 75 CO -0.88 -0.52 0.61 0.03 0.09 0.00 0.00 178.44 177.77 1um1 h ARG 76 N -0.74 0.67 -0.36 1.13 2.47 -1.15 0.31 114.38 116.70 1um1 h ARG 76 Ca -0.01 -0.04 -0.15 0.00 -1.26 0.00 0.00 59.98 58.52 1um1 h ARG 76 Cb 0.70 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1um1 h ARG 76 CO -0.14 0.44 -0.37 0.00 0.56 0.00 0.00 179.97 180.47 1um1 h ALA 77 N 1.62 0.66 0.16 0.04 0.00 0.12 -2.91 119.26 118.94 1um1 h ALA 77 Ca 0.53 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1um1 h ALA 77 Cb 0.92 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1um1 h ALA 77 CO -0.30 0.67 -0.20 0.28 0.00 0.00 0.00 179.25 179.71 1um1 h VAL 78 N 0.70 0.56 -0.63 0.00 2.07 0.42 -1.92 116.25 117.45 1um1 h VAL 78 Ca 0.06 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.71 1um1 h VAL 78 Cb 0.94 0.56 -0.12 0.00 -1.52 0.00 0.00 31.29 31.15 1um1 h VAL 78 CO 0.09 0.00 -0.18 -0.78 0.02 0.00 0.00 177.57 176.72 1um1 h ASP 79 N -0.41 -0.65 -0.19 0.57 1.82 -1.06 1.37 116.42 117.88 1um1 h ASP 79 Ca 0.01 0.20 0.04 0.00 -0.39 0.00 0.00 57.03 56.89 1um1 h ASP 79 Cb 0.40 0.41 -0.07 0.00 0.68 0.00 0.00 39.33 40.75 1um1 h ASP 79 CO -0.07 -0.22 -0.47 -0.07 -1.61 0.00 0.00 179.24 176.80 1um1 h LEU 80 N -0.02 -1.49 -0.76 2.28 3.38 -1.21 0.95 115.31 118.45 1um1 h LEU 80 Ca 0.30 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.47 1um1 h LEU 80 Cb 0.48 0.61 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1um1 h LEU 80 CO -0.66 -0.44 0.50 0.40 0.09 0.00 0.00 178.44 178.33 1um1 h ILE 81 N -0.49 1.20 0.30 1.22 5.03 -0.26 0.16 117.51 124.66 1um1 h ILE 81 Ca 0.07 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1um1 h ILE 81 Cb 0.64 0.09 -0.03 0.00 -3.03 0.00 0.00 36.82 34.48 1um1 h ILE 81 CO -0.45 0.19 -0.42 0.03 -0.68 0.00 0.00 178.15 176.82 1um1 h ARG 82 N 1.03 -0.75 -1.27 2.37 2.47 0.36 -1.37 114.38 117.22 1um1 h ARG 82 Ca 0.28 0.05 -0.35 0.00 -1.26 0.00 0.00 59.98 58.70 1um1 h ARG 82 Cb -0.11 0.17 -0.17 0.00 -1.65 0.00 0.00 29.97 28.21 1um1 h ARG 82 CO -0.06 -0.50 0.45 0.72 0.56 0.00 0.00 179.97 181.14 1um1 n HIS 83 N -5.49 1.80 0.00 3.04 8.25 0.31 -4.79 115.22 118.34 1um1 n HIS 83 Ca -0.09 -1.82 0.00 0.00 -0.26 0.00 0.00 57.72 55.55 1um1 n HIS 83 Cb 0.40 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.62 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 -0.08 0.00 0.00 -1.41 0.00 0.02 -4.93 105.19 98.79 1um1 n GLY 84 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.54 5.00 -0.02 0.00 -1.26 -4.93 105.19 103.43 1um1 n GLY 85 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1um1 n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1um1 n LYS 86 N 0.00 0.00 -3.21 1.61 4.76 -1.26 -4.68 118.16 115.38 1um1 n LYS 86 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1um1 n LYS 86 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 1um1 n LYS 86 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1um1 s LYS 87 N 0.00 3.33 -0.27 1.97 1.02 -1.26 -1.48 119.74 123.04 1um1 s LYS 87 Ca 0.00 -0.42 -0.10 0.00 0.02 0.00 0.00 55.97 55.48 1um1 s LYS 87 Cb 0.00 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 1um1 s LYS 87 CO 0.00 -0.86 0.14 -1.64 -0.92 0.00 0.00 175.35 172.08 1um1 s MET 88 N 2.51 3.78 0.11 1.68 -1.94 0.26 -4.89 119.30 120.82 1um1 s MET 88 Ca 0.19 -0.42 0.07 0.00 -1.71 0.00 0.00 55.69 53.82 1um1 s MET 88 Cb -0.15 -3.53 -0.04 0.00 2.01 0.00 0.00 34.83 33.11 1um1 s MET 88 CO 0.16 -0.21 -0.11 0.50 -0.01 0.00 0.00 175.02 175.35 1um1 s ARG 89 N 1.69 2.09 -0.13 2.03 3.52 -1.26 -0.46 118.95 126.43 1um1 s ARG 89 Ca 0.07 -1.06 -0.07 0.00 -0.13 0.00 0.00 55.73 54.53 1um1 s ARG 89 Cb -0.16 -2.27 0.05 0.00 -1.56 0.00 0.00 34.95 31.01 1um1 s ARG 89 CO 0.08 0.50 0.31 -0.06 -0.81 0.00 0.00 175.30 175.32 1um1 s PHE 90 N -1.26 -0.45 -0.76 5.12 0.08 -0.12 0.21 117.98 120.80 1um1 s PHE 90 Ca 0.21 1.01 -0.15 0.00 0.12 0.00 0.00 56.93 58.13 1um1 s PHE 90 Cb -0.11 0.13 0.19 0.00 -0.57 0.00 0.00 43.02 42.66 1um1 s PHE 90 CO 0.14 -0.29 0.72 -1.17 -0.10 0.00 0.00 175.22 174.52 1um1 s LEU 91 N 1.44 6.46 -0.11 -0.37 2.96 -0.54 -0.98 118.68 127.54 1um1 s LEU 91 Ca -0.08 -2.39 -0.06 0.00 -0.22 0.00 0.00 54.13 51.38 1um1 s LEU 91 Cb -0.10 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1um1 s LEU 91 CO -0.10 -0.69 0.10 0.54 -1.32 0.00 0.00 176.35 174.87 1um1 s VAL 92 N 0.77 5.17 -0.00 1.68 0.11 -0.94 0.19 120.40 127.37 1um1 s VAL 92 Ca 0.15 0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.17 1um1 s VAL 92 Cb -0.15 -3.24 -0.05 0.00 -1.53 0.00 0.00 36.38 31.41 1um1 s VAL 92 CO -0.05 0.61 0.33 0.00 -3.33 0.00 0.00 175.10 172.66 1um1 s ALA 93 N -0.91 3.76 -0.78 1.54 0.00 -0.77 -1.06 121.76 123.54 1um1 s ALA 93 Ca 0.14 -0.39 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 1um1 s ALA 93 Cb -0.12 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 1um1 s ALA 93 CO 0.03 0.55 1.72 0.21 0.00 0.00 0.00 175.76 178.27 1um1 s LYS 94 N -1.37 2.85 0.50 0.00 2.36 0.13 -4.10 119.74 120.12 1um1 s LYS 94 Ca 0.25 -0.06 0.01 0.00 -2.55 0.00 0.00 55.97 53.61 1um1 s LYS 94 Cb -0.15 -4.68 0.01 0.00 -1.05 0.00 0.00 37.83 31.97 1um1 s LYS 94 CO 0.13 -2.73 0.73 -1.12 1.55 0.00 0.00 175.35 173.91 1um1 s SER 95 N 6.80 5.56 0.92 1.43 0.01 -1.26 -4.39 113.70 122.77 1um1 s SER 95 Ca 0.59 0.15 -0.12 0.00 1.31 0.00 0.00 55.95 57.87 1um1 s SER 95 Cb -0.08 -1.22 0.14 0.00 0.21 0.00 0.00 66.02 65.08 1um1 s SER 95 CO 0.09 -0.92 1.13 -1.81 0.41 0.00 0.00 173.24 172.13 1um1 s ASP 96 N -4.32 3.40 0.27 2.44 1.11 -1.26 -4.94 116.67 113.36 1um1 s ASP 96 Ca 0.53 1.03 -0.03 0.00 0.18 0.00 0.00 52.55 54.26 1um1 s ASP 96 Cb -0.10 -1.64 0.35 0.00 1.07 0.00 0.00 42.92 42.60 1um1 s ASP 96 CO 0.38 -2.63 1.85 0.58 1.18 0.00 0.00 175.17 176.53 1um1 h VAL 97 N -1.55 1.23 -0.29 -1.27 2.07 -1.98 -3.01 116.25 111.45 1um1 h VAL 97 Ca -0.51 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.34 1um1 h VAL 97 Cb 1.33 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 1um1 h VAL 97 CO 0.61 0.29 -0.51 -0.33 0.02 0.00 0.00 177.57 177.65 1um1 h GLU 98 N 0.98 -0.41 -0.96 1.57 5.08 -1.98 0.57 114.58 119.42 1um1 h GLU 98 Ca 0.23 0.03 0.40 0.00 -1.00 0.00 0.00 59.36 59.02 1um1 h GLU 98 Cb 0.17 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 29.35 1um1 h GLU 98 CO -0.02 -0.27 0.53 2.41 -1.00 0.00 0.00 179.01 180.65 1um1 n THR 99 N -5.17 -0.38 0.01 1.13 -1.04 -1.14 0.18 114.28 107.87 1um1 n THR 99 Ca -0.04 1.88 -0.18 0.00 -2.04 0.00 0.00 64.05 63.67 1um1 n THR 99 Cb 0.33 -3.06 -0.12 0.00 -1.82 0.00 0.00 70.33 65.65 1um1 n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1um1 h ALA 100 N 1.84 0.00 -0.99 2.41 0.00 -0.61 -3.13 119.26 118.79 1um1 h ALA 100 Ca 0.80 -0.59 0.20 0.00 0.00 0.00 0.00 54.91 55.32 1um1 h ALA 100 Cb 2.15 0.05 -0.19 0.00 0.00 0.00 0.00 17.79 19.80 1um1 h ALA 100 CO -0.70 0.28 -0.23 1.63 0.00 0.00 0.00 179.25 180.23 1um1 n LYS 101 N -4.27 -0.09 -0.13 0.00 5.02 0.49 0.19 118.16 119.37 1um1 n LYS 101 Ca -0.11 1.54 -0.09 0.00 -2.02 0.00 0.00 58.31 57.63 1um1 n LYS 101 Cb 0.68 -2.31 -0.01 0.00 -0.02 0.00 0.00 35.03 33.37 1um1 n LYS 101 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1um1 h LYS 102 N 0.00 0.55 0.00 1.97 1.57 -1.33 -1.35 116.57 117.98 1um1 h LYS 102 Ca 0.48 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.17 1um1 h LYS 102 Cb 0.76 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1um1 h LYS 102 CO -1.01 0.46 -0.10 0.82 -0.57 0.00 0.00 179.45 179.05 1um1 h ILE 103 N 0.49 0.98 -3.07 1.86 1.08 0.21 -2.47 117.51 116.58 1um1 h ILE 103 Ca 0.14 -0.35 -0.55 0.00 -0.39 0.00 0.00 64.86 63.70 1um1 h ILE 103 Cb 0.08 1.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 1um1 h ILE 103 CO -0.02 0.10 0.72 -1.00 -0.69 0.00 0.00 178.15 177.26 1um1 s HIS 104 N -4.74 3.17 0.03 1.37 3.76 0.48 -4.89 115.29 114.47 1um1 s HIS 104 Ca -0.04 1.22 -0.28 0.00 -0.15 0.00 0.00 55.06 55.80 1um1 s HIS 104 Cb 0.16 -3.41 -0.16 0.00 1.11 0.00 0.00 32.58 30.28 1um1 s HIS 104 CO 0.66 -1.27 1.27 0.66 -0.85 0.00 0.00 174.74 175.20 1um1 h SER 105 N 7.53 -0.86 -4.12 1.40 4.64 -1.80 -3.47 113.55 116.87 1um1 h SER 105 Ca -0.32 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1um1 h SER 105 Cb 1.15 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1um1 h SER 105 CO 0.89 -0.55 -0.03 0.61 -0.87 0.00 0.00 176.83 176.89 1um1 n GLY 106 N -1.06 -0.77 0.17 -0.77 0.00 -1.26 -4.98 105.19 96.50 1um1 n GLY 106 Ca -0.13 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1um1 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1um1 h PRO 107 N 0.30 0.53 -6.50 1.61 0.13 -2.04 -3.45 132.00 122.58 1um1 h PRO 107 Ca 0.00 -0.52 -0.66 0.00 -0.87 0.00 0.00 66.00 63.96 1um1 h PRO 107 Cb 0.94 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 32.06 1um1 h PRO 107 CO 0.14 1.15 -0.72 -1.54 -0.23 0.00 0.00 178.00 176.79 1um1 s SER 108 N -6.87 4.50 -0.25 1.44 1.04 -1.26 -5.11 113.70 107.20 1um1 s SER 108 Ca -0.12 -0.37 -0.08 0.00 0.48 0.00 0.00 55.95 55.85 1um1 s SER 108 Cb 0.05 -0.89 -0.04 0.00 0.10 0.00 0.00 66.02 65.24 1um1 s SER 108 CO 0.85 0.16 0.10 -0.44 0.98 0.00 0.00 173.24 174.90 1um1 s SER 109 N -2.34 5.46 0.00 7.02 0.01 -1.26 -5.19 113.70 117.40 1um1 s SER 109 Ca 0.23 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1um1 s SER 109 Cb -0.11 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1um1 s SER 109 CO 0.15 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.40