#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um1 s SER 2 N 0.00 -0.88 -0.19 1.61 0.15 -1.26 -5.15 113.70 107.98 1um1 s SER 2 Ca 0.00 1.47 -0.05 0.00 0.70 0.00 0.00 55.95 58.08 1um1 s SER 2 Cb 0.00 1.40 0.10 0.00 -1.71 0.00 0.00 66.02 65.80 1um1 s SER 2 CO 0.00 -0.24 0.34 -0.55 1.20 0.00 0.00 173.24 173.99 1um1 s SER 3 N 1.30 0.24 0.00 5.45 0.15 -1.26 -5.12 113.70 114.46 1um1 s SER 3 Ca -0.07 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1um1 s SER 3 Cb -0.05 0.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.25 1um1 s SER 3 CO -0.15 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1um1 n GLY 4 N 5.36 0.85 2.00 9.45 0.00 -1.26 -5.04 105.19 116.55 1um1 n GLY 4 Ca -0.06 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 1.89 -0.10 -3.37 1.61 2.88 -1.26 -5.10 113.62 110.17 1um1 n SER 5 Ca 0.00 0.28 -0.23 0.00 -1.33 0.00 0.00 58.87 57.59 1um1 n SER 5 Cb 0.00 0.24 0.02 0.00 -0.75 0.00 0.00 64.21 63.72 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 -3.06 -5.89 -0.95 -3.46 7.64 -1.26 -4.99 113.62 101.65 1um1 n SER 6 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1um1 n SER 6 Cb 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.63 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 0.44 5.97 3.81 0.23 0.00 -1.26 -5.16 105.19 109.22 1um1 n GLY 7 Ca -0.05 -2.08 -0.22 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.08 2.89 0.34 1.61 -0.85 -1.26 -5.02 117.35 114.97 1um1 s TYR 8 Ca 0.00 -0.28 0.08 0.00 -0.52 0.00 0.00 57.07 56.36 1um1 s TYR 8 Cb 0.00 -1.65 -0.04 0.00 0.38 0.00 0.00 41.96 40.65 1um1 s TYR 8 CO 0.00 0.31 0.12 0.08 -1.52 0.00 0.00 175.55 174.54 1um1 s VAL 9 N -2.30 2.97 -0.11 -3.49 1.01 -1.26 -2.89 120.40 114.33 1um1 s VAL 9 Ca 0.38 -1.73 -0.09 0.00 0.00 0.00 0.00 61.98 60.53 1um1 s VAL 9 Cb -0.05 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.40 1um1 s VAL 9 CO 0.25 -0.19 0.29 0.72 0.00 0.00 0.00 175.10 176.18 1um1 s PHE 10 N -2.44 -0.34 0.47 5.22 -0.12 -0.52 -4.96 117.98 115.29 1um1 s PHE 10 Ca 0.37 0.81 -0.11 0.00 -0.05 0.00 0.00 56.93 57.95 1um1 s PHE 10 Cb -0.02 0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.42 1um1 s PHE 10 CO 0.22 -0.17 0.85 0.99 -0.05 0.00 0.00 175.22 177.06 1um1 s THR 11 N 0.36 4.74 -0.16 -4.49 2.01 -1.26 -2.42 115.64 114.42 1um1 s THR 11 Ca -0.02 0.73 -0.04 0.00 0.31 0.00 0.00 61.69 62.68 1um1 s THR 11 Cb -0.03 -3.76 0.05 0.00 0.01 0.00 0.00 72.50 68.77 1um1 s THR 11 CO -0.01 -0.68 0.06 -0.69 -0.69 0.00 0.00 174.62 172.61 1um1 s VAL 12 N -2.57 0.17 -0.39 3.82 1.01 0.78 -4.94 120.40 118.29 1um1 s VAL 12 Ca 0.53 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1um1 s VAL 12 Cb -0.10 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.65 1um1 s VAL 12 CO 0.36 -0.15 0.21 -1.61 0.00 0.00 0.00 175.10 173.90 1um1 s GLU 13 N 2.03 2.65 0.44 2.72 2.02 -1.26 -0.40 118.70 126.89 1um1 s GLU 13 Ca 0.02 -1.31 0.05 0.00 0.02 0.00 0.00 54.97 53.75 1um1 s GLU 13 Cb -0.16 -3.69 -0.06 0.00 0.10 0.00 0.00 34.13 30.33 1um1 s GLU 13 CO -0.08 -0.82 0.01 -0.51 0.02 0.00 0.00 175.26 173.88 1um1 s LEU 14 N 1.45 2.69 -0.16 1.80 1.43 0.73 -4.97 118.68 121.65 1um1 s LEU 14 Ca 0.02 -1.46 0.01 0.00 -1.03 0.00 0.00 54.13 51.67 1um1 s LEU 14 Cb -0.21 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.18 1um1 s LEU 14 CO 0.03 -0.57 -0.20 -0.70 0.23 0.00 0.00 176.35 175.14 1um1 s GLU 15 N -3.76 3.02 -0.94 1.70 2.12 -1.26 -0.18 118.70 119.40 1um1 s GLU 15 Ca 0.26 -0.83 -0.26 0.00 0.36 0.00 0.00 54.97 54.50 1um1 s GLU 15 Cb 0.07 -2.53 -0.22 0.00 0.26 0.00 0.00 34.13 31.71 1um1 s GLU 15 CO 0.13 -0.12 2.47 -2.13 -0.54 0.00 0.00 175.26 175.07 1um1 n ARG 16 N 4.38 0.00 -0.64 4.30 0.63 -0.87 -4.75 116.66 119.71 1um1 n ARG 16 Ca -0.20 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.56 1um1 n ARG 16 Cb 0.51 -1.34 0.14 0.00 0.45 0.00 0.00 32.46 32.21 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 5.98 -2.46 0.00 5.14 0.00 -1.26 -4.84 105.19 107.75 1um1 n GLY 17 Ca 0.62 -1.50 0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.26 0.27 -0.00 1.61 -0.04 -1.26 -2.27 135.00 130.05 1um1 n PRO 18 Ca 0.09 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 1um1 n PRO 18 Cb 0.33 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.32 1.07 -0.04 3.54 7.64 -1.26 -4.99 113.62 118.26 1um1 n SER 19 Ca 0.10 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1um1 n SER 19 Cb 0.19 1.36 0.00 0.00 -1.01 0.00 0.00 64.21 64.75 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 1.49 1.40 2.27 0.23 0.00 -0.96 -4.10 105.19 105.52 1um1 n GLY 20 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.04 0.00 -3.75 0.99 4.77 -1.26 -4.43 117.00 113.28 1um1 n LEU 21 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1um1 n LEU 21 Cb 0.09 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1um1 n LEU 21 CO 0.00 0.00 -0.11 0.61 -1.33 0.00 0.00 177.39 176.56 1um1 n GLY 22 N -1.47 -0.75 2.92 -0.72 0.00 -1.26 -3.09 105.19 100.82 1um1 n GLY 22 Ca 0.00 0.36 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1um1 n GLY 22 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1um1 s MET 23 N -6.11 1.31 -1.11 1.61 0.00 -1.26 -1.45 119.30 112.28 1um1 s MET 23 Ca 0.33 -1.48 -0.20 0.00 0.00 0.00 0.00 55.69 54.33 1um1 s MET 23 Cb -0.12 -2.74 -0.07 0.00 0.00 0.00 0.00 34.83 31.91 1um1 s MET 23 CO 0.86 -0.89 1.94 0.41 0.00 0.00 0.00 175.02 177.34 1um1 n GLY 24 N 4.50 2.29 3.72 2.11 0.00 -0.88 -4.92 105.19 112.01 1um1 n GLY 24 Ca -0.01 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 5.32 4.41 0.15 0.99 1.43 -1.26 0.16 118.68 129.88 1um1 s LEU 25 Ca 0.59 1.59 0.04 0.00 -1.03 0.00 0.00 54.13 55.32 1um1 s LEU 25 Cb 0.07 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1um1 s LEU 25 CO 0.09 -0.13 -0.08 -0.51 0.23 0.00 0.00 176.35 175.95 1um1 s ILE 26 N 0.50 1.05 -0.22 -0.59 2.07 -0.33 -4.89 121.20 118.79 1um1 s ILE 26 Ca 0.46 -2.03 -0.29 0.00 -1.41 0.00 0.00 60.65 57.37 1um1 s ILE 26 Cb -0.21 -1.90 -0.01 0.00 0.13 0.00 0.00 42.46 40.47 1um1 s ILE 26 CO 0.26 -0.70 1.36 -0.62 -1.91 0.00 0.00 174.94 173.33 1um1 s ASP 27 N -3.16 6.73 0.58 4.50 -1.08 -1.26 -0.54 116.67 122.43 1um1 s ASP 27 Ca 0.18 1.52 0.41 0.00 -0.52 0.00 0.00 52.55 54.14 1um1 s ASP 27 Cb 0.04 -2.54 1.43 0.00 -1.46 0.00 0.00 42.92 40.39 1um1 s ASP 27 CO 0.01 -0.98 1.48 1.23 0.52 0.00 0.00 175.17 177.43 1um1 h GLY 28 N 10.53 0.00 0.39 2.66 0.00 0.21 1.06 103.07 117.92 1um1 h GLY 28 Ca -0.28 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1um1 h GLY 28 CO 1.00 0.00 -0.00 -0.33 0.00 0.00 0.00 176.54 177.21 1um1 h MET 29 N 0.00 -0.01 -0.85 4.80 2.86 -1.58 0.21 114.93 120.37 1um1 h MET 29 Ca 0.75 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.54 1um1 h MET 29 Cb 3.40 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 34.96 1um1 h MET 29 CO -0.01 0.60 0.44 0.45 1.06 0.00 0.00 176.91 179.45 1um1 h HIS 30 N -0.62 0.77 -4.26 -0.22 3.86 0.81 -3.40 115.15 112.09 1um1 h HIS 30 Ca -0.00 0.03 -0.49 0.00 -1.16 0.00 0.00 60.37 58.76 1um1 h HIS 30 Cb 0.61 -0.21 0.04 0.00 1.06 0.00 0.00 27.41 28.90 1um1 h HIS 30 CO 0.14 0.19 0.39 0.95 0.86 0.00 0.00 177.93 180.46 1um1 s THR 31 N -5.97 4.56 0.66 2.45 -4.23 -0.86 -4.89 115.64 107.36 1um1 s THR 31 Ca -0.12 1.07 0.26 0.00 -1.18 0.00 0.00 61.69 61.72 1um1 s THR 31 Cb 0.22 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.56 1um1 s THR 31 CO 0.78 -0.86 1.78 0.45 -0.54 0.00 0.00 174.62 176.24 1um1 h HIS 32 N 0.41 0.00 -0.86 3.99 3.86 -1.77 -2.39 115.15 118.39 1um1 h HIS 32 Ca -0.46 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 58.83 1um1 h HIS 32 Cb 1.19 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.56 1um1 h HIS 32 CO 0.64 0.00 -0.51 -0.11 0.86 0.00 0.00 177.93 178.82 1um1 n LEU 33 N -2.86 -0.91 0.00 2.43 -0.00 -1.25 -4.78 117.00 109.64 1um1 n LEU 33 Ca -0.01 1.55 0.00 0.00 -0.00 0.00 0.00 56.01 57.55 1um1 n LEU 33 Cb 0.48 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 1um1 n LEU 33 CO 0.12 -1.26 0.00 0.61 -0.00 0.00 0.00 177.39 176.86 1um1 n GLY 34 N -1.21 0.75 3.90 -3.96 0.00 0.06 -5.01 105.19 99.71 1um1 n GLY 34 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.79 3.93 0.39 4.61 0.00 -1.19 -4.80 121.76 121.91 1um1 s ALA 35 Ca 0.00 -0.71 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 1um1 s ALA 35 Cb 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.09 1um1 s ALA 35 CO 0.00 0.74 1.06 -1.25 0.00 0.00 0.00 175.76 176.30 1um1 s PRO 36 N -2.11 4.20 0.00 0.00 0.04 -1.26 -1.94 135.00 133.93 1um1 s PRO 36 Ca 0.31 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1um1 s PRO 36 Cb -0.13 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1um1 s PRO 36 CO 0.21 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.54 1um1 n GLY 37 N 0.43 -1.65 3.78 0.56 0.00 -1.26 -4.82 105.19 102.23 1um1 n GLY 37 Ca 0.04 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.58 1um1 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 38 N 0.00 3.76 0.04 0.99 1.43 -1.26 0.20 118.68 123.84 1um1 s LEU 38 Ca 0.00 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1um1 s LEU 38 Cb 0.00 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1um1 s LEU 38 CO 0.00 0.12 0.11 -0.31 0.23 0.00 0.00 176.35 176.50 1um1 s TYR 39 N -1.57 0.19 -0.29 0.29 1.51 0.30 -1.52 117.35 116.26 1um1 s TYR 39 Ca 0.30 -0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 55.55 1um1 s TYR 39 Cb -0.11 -0.13 -0.02 0.00 -0.11 0.00 0.00 41.96 41.59 1um1 s TYR 39 CO 0.22 -0.40 1.62 0.42 -1.11 0.00 0.00 175.55 176.30 1um1 s ILE 40 N -2.84 3.69 -0.10 2.71 1.01 0.18 -1.19 121.20 124.66 1um1 s ILE 40 Ca -0.03 0.75 -0.03 0.00 0.00 0.00 0.00 60.65 61.34 1um1 s ILE 40 Cb 0.00 -3.80 -0.26 0.00 0.01 0.00 0.00 42.46 38.41 1um1 s ILE 40 CO -0.06 -0.42 0.45 1.67 0.00 0.00 0.00 174.94 176.58 1um1 n GLN 41 N 7.95 0.73 -4.07 2.79 7.27 0.43 0.19 117.38 132.68 1um1 n GLN 41 Ca 0.19 0.27 -0.10 0.00 0.07 0.00 0.00 57.00 57.43 1um1 n GLN 41 Cb 0.46 -1.73 -0.07 0.00 2.41 0.00 0.00 30.24 31.31 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 -2.57 0.00 -0.27 1.69 -4.23 -1.05 -4.76 115.64 104.45 1um1 s THR 42 Ca -0.18 -1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1um1 s THR 42 Cb 0.07 -2.33 0.11 0.00 1.34 0.00 0.00 72.50 71.69 1um1 s THR 42 CO 0.79 0.00 0.21 -0.76 -0.54 0.00 0.00 174.62 174.31 1um1 s LEU 43 N -3.08 0.12 0.60 4.79 1.43 -1.26 -2.07 118.68 119.22 1um1 s LEU 43 Ca 0.28 -0.86 -0.18 0.00 -1.03 0.00 0.00 54.13 52.34 1um1 s LEU 43 Cb 0.02 0.11 -0.05 0.00 0.03 0.00 0.00 46.19 46.29 1um1 s LEU 43 CO 0.11 -0.40 0.83 0.18 0.23 0.00 0.00 176.35 177.31 1um1 n LEU 44 N 5.29 2.89 -0.02 1.79 4.32 -0.53 -4.86 117.00 125.88 1um1 n LEU 44 Ca -0.04 0.77 -0.16 0.00 -0.02 0.00 0.00 56.01 56.56 1um1 n LEU 44 Cb 0.45 -1.33 -0.11 0.00 -1.62 0.00 0.00 43.42 40.82 1um1 n LEU 44 CO 0.04 -2.23 0.36 1.55 -1.22 0.00 0.00 177.39 175.89 1um1 h PRO 45 N 0.34 0.30 -1.68 3.23 0.13 -1.98 -3.26 132.00 129.08 1um1 h PRO 45 Ca -0.48 -0.29 -0.27 0.00 -0.87 0.00 0.00 66.00 64.09 1um1 h PRO 45 Cb 1.38 0.08 -0.11 0.00 0.13 0.00 0.00 31.00 32.47 1um1 h PRO 45 CO 0.49 0.97 0.31 0.41 -0.23 0.00 0.00 178.00 179.95 1um1 n GLY 46 N 0.93 3.79 3.38 1.56 0.00 -1.26 -4.72 105.19 108.88 1um1 n GLY 46 Ca -0.09 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 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 0.61 2.42 0.00 1.61 1.04 -1.23 -4.50 113.70 113.65 1um1 s SER 47 Ca 0.29 -1.18 -0.20 0.00 0.48 0.00 0.00 55.95 55.34 1um1 s SER 47 Cb 0.21 -0.10 -0.22 0.00 0.10 0.00 0.00 66.02 66.01 1um1 s SER 47 CO -0.02 -0.38 1.13 1.55 0.98 0.00 0.00 173.24 176.49 1um1 h PRO 48 N 2.38 0.38 -0.99 4.02 0.13 -1.87 -2.70 132.00 133.35 1um1 h PRO 48 Ca -0.39 -0.36 0.17 0.00 -0.87 0.00 0.00 66.00 64.54 1um1 h PRO 48 Cb 1.23 0.09 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 1um1 h PRO 48 CO 0.66 1.03 -0.34 0.00 -0.23 0.00 0.00 178.00 179.12 1um1 n ALA 49 N -2.56 -0.01 0.17 -0.56 0.00 -1.18 0.18 120.51 116.56 1um1 n ALA 49 Ca -0.09 1.02 -0.14 0.00 0.00 0.00 0.00 53.44 54.23 1um1 n ALA 49 Cb 0.60 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 1um1 n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1um1 h ALA 50 N 1.56 -0.44 -0.91 0.00 0.00 -1.74 -2.92 119.26 114.81 1um1 h ALA 50 Ca 0.39 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.37 1um1 h ALA 50 Cb 0.63 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.45 1um1 h ALA 50 CO -0.99 -0.60 0.31 0.00 0.00 0.00 0.00 179.25 177.97 1um1 h ALA 51 N -0.18 1.43 -0.32 0.00 0.00 -0.21 0.11 119.26 120.09 1um1 h ALA 51 Ca -0.04 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1um1 h ALA 51 Cb 0.49 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1um1 h ALA 51 CO 0.07 -0.49 -0.53 0.22 0.00 0.00 0.00 179.25 178.52 1um1 h ASP 52 N 0.24 -1.76 0.00 0.00 3.58 0.21 -3.47 116.42 115.22 1um1 h ASP 52 Ca 0.59 0.22 0.00 0.00 0.42 0.00 0.00 57.03 58.27 1um1 h ASP 52 Cb 1.23 0.71 0.00 0.00 1.72 0.00 0.00 39.33 42.99 1um1 h ASP 52 CO -0.65 -0.41 0.00 0.61 -2.88 0.00 0.00 179.24 175.91 1um1 n GLY 53 N -1.38 2.56 0.44 -0.78 0.00 0.36 -4.88 105.19 101.51 1um1 n GLY 53 Ca -0.04 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.34 -6.00 1.61 1.12 -1.86 -3.39 114.38 105.51 1um1 h ARG 54 Ca 0.00 0.02 -0.82 0.00 -1.11 0.00 0.00 59.98 58.08 1um1 h ARG 54 Cb 0.00 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.02 1um1 h ARG 54 CO 0.00 -0.23 1.03 1.28 -3.11 0.00 0.00 179.97 178.94 1um1 n LEU 55 N -5.27 1.04 -4.46 3.80 4.32 -1.26 -4.90 117.00 110.27 1um1 n LEU 55 Ca -0.03 0.91 -0.22 0.00 -0.02 0.00 0.00 56.01 56.65 1um1 n LEU 55 Cb 0.32 -0.91 -0.10 0.00 -1.62 0.00 0.00 43.42 41.11 1um1 n LEU 55 CO -0.01 -0.79 -0.37 -0.44 -1.22 0.00 0.00 177.39 174.56 1um1 s SER 56 N 4.63 3.01 0.32 -1.43 0.01 -1.26 -4.80 113.70 114.17 1um1 s SER 56 Ca 1.12 -1.19 -0.29 0.00 1.31 0.00 0.00 55.95 56.91 1um1 s SER 56 Cb -1.47 -0.21 -0.10 0.00 0.21 0.00 0.00 66.02 64.45 1um1 s SER 56 CO 0.73 -0.30 1.23 -0.76 0.41 0.00 0.00 173.24 174.54 1um1 s LEU 57 N -3.48 4.46 0.00 2.44 1.43 -1.26 -2.52 118.68 119.74 1um1 s LEU 57 Ca 0.30 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 1um1 s LEU 57 Cb 0.03 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1um1 s LEU 57 CO 0.13 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1um1 n GLY 58 N 0.93 3.15 3.16 -3.19 0.00 0.52 -4.41 105.19 105.33 1um1 n GLY 58 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.12 -4.51 -4.07 1.61 9.92 -1.05 -4.31 116.55 114.27 1um1 n ASP 59 Ca 0.00 0.45 -0.31 0.00 -0.53 0.00 0.00 54.79 54.40 1um1 n ASP 59 Cb 0.00 -0.84 -0.16 0.00 -0.64 0.00 0.00 41.12 39.48 1um1 n ASP 59 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1um1 s ARG 60 N -1.53 2.61 0.46 -1.24 3.52 -1.26 0.48 118.95 121.99 1um1 s ARG 60 Ca 0.50 -0.68 -0.20 0.00 -0.13 0.00 0.00 55.73 55.22 1um1 s ARG 60 Cb -0.36 -2.31 -0.10 0.00 -1.56 0.00 0.00 34.95 30.63 1um1 s ARG 60 CO 0.73 -0.22 0.98 0.42 -0.81 0.00 0.00 175.30 176.40 1um1 s ILE 61 N 1.38 4.26 0.00 4.11 -1.09 -0.58 -1.89 121.20 127.39 1um1 s ILE 61 Ca 0.04 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1um1 s ILE 61 Cb -0.13 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1um1 s ILE 61 CO -0.11 -0.36 0.00 0.18 -1.23 0.00 0.00 174.94 173.41 1um1 n LEU 62 N -0.90 1.45 -4.25 2.97 4.77 0.54 -4.50 117.00 117.08 1um1 n LEU 62 Ca 0.07 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 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 0.39 0.20 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.66 1um1 s GLU 63 N -1.89 1.07 -0.24 3.23 2.02 -1.18 -1.79 118.70 119.92 1um1 s GLU 63 Ca 0.00 -1.47 -0.03 0.00 0.02 0.00 0.00 54.97 53.48 1um1 s GLU 63 Cb 0.00 -0.53 0.10 0.00 0.10 0.00 0.00 34.13 33.79 1um1 s GLU 63 CO 0.00 0.02 0.19 0.08 0.02 0.00 0.00 175.26 175.58 1um1 s VAL 64 N -3.41 -0.24 -0.84 2.63 1.01 -0.88 -1.27 120.40 117.40 1um1 s VAL 64 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1um1 s VAL 64 Cb 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1um1 s VAL 64 CO 0.01 -0.40 0.00 -3.20 0.00 0.00 0.00 175.10 171.51 1um1 n ASN 65 N 5.29 -3.61 0.00 3.32 2.85 0.52 -2.33 115.26 121.30 1um1 n ASN 65 Ca -0.05 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1um1 n ASN 65 Cb 0.47 -2.32 0.00 0.00 1.24 0.00 0.00 39.78 39.17 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 -1.53 0.41 3.27 8.20 0.00 -1.26 -4.94 105.19 109.35 1um1 n GLY 66 Ca -0.09 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.96 4.19 -0.13 1.61 0.15 -0.98 -5.06 113.70 110.51 1um1 s SER 67 Ca 0.00 -0.52 -0.34 0.00 0.70 0.00 0.00 55.95 55.80 1um1 s SER 67 Cb 0.00 -1.70 -0.11 0.00 -1.71 0.00 0.00 66.02 62.50 1um1 s SER 67 CO 0.00 -0.04 1.96 -1.54 1.20 0.00 0.00 173.24 174.81 1um1 n SER 68 N 4.76 3.30 -3.38 5.45 3.41 -1.26 -2.08 113.62 123.82 1um1 n SER 68 Ca -0.18 0.83 -0.36 0.00 -0.26 0.00 0.00 58.87 58.90 1um1 n SER 68 Cb 0.50 -1.38 -0.00 0.00 -0.26 0.00 0.00 64.21 63.07 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 7.57 6.33 -0.09 1.04 0.00 -0.74 -4.64 117.00 126.48 1um1 n LEU 69 Ca 0.26 -5.49 -0.15 0.00 0.00 0.00 0.00 56.01 50.63 1um1 n LEU 69 Cb 0.30 -0.95 -0.05 0.00 0.00 0.00 0.00 43.42 42.73 1um1 n LEU 69 CO 0.73 2.16 -0.87 0.18 0.00 0.00 0.00 177.39 179.58 1um1 n LEU 70 N -0.13 1.74 -1.93 -1.96 4.77 -1.26 -4.64 117.00 113.59 1um1 n LEU 70 Ca 0.41 0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 56.46 1um1 n LEU 70 Cb 0.31 -0.68 0.11 0.00 -2.33 0.00 0.00 43.42 40.83 1um1 n LEU 70 CO 0.45 -0.01 0.91 0.61 -1.33 0.00 0.00 177.39 178.03 1um1 n GLY 71 N 1.68 5.56 3.67 -0.72 0.00 -1.26 -4.96 105.19 109.16 1um1 n GLY 71 Ca -0.26 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 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 -3.55 3.80 0.74 0.99 1.43 -1.26 -5.09 118.68 115.74 1um1 s LEU 72 Ca 0.55 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 1um1 s LEU 72 Cb 0.45 -1.93 0.04 0.00 0.03 0.00 0.00 46.19 44.78 1um1 s LEU 72 CO 0.02 0.26 1.11 -0.83 0.23 0.00 0.00 176.35 177.14 1um1 s GLY 73 N -0.15 1.88 0.50 -3.19 0.00 -1.26 -4.72 107.32 100.39 1um1 s GLY 73 Ca 0.07 0.41 0.18 0.00 0.00 0.00 0.00 44.72 45.38 1um1 s GLY 73 CO 0.01 0.77 2.08 -1.82 0.00 0.00 0.00 173.10 174.14 1um1 h TYR 74 N -0.71 0.10 0.00 1.90 5.03 -1.98 0.43 116.97 121.74 1um1 h TYR 74 Ca -0.45 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 60.77 1um1 h TYR 74 Cb 1.24 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.47 1um1 h TYR 74 CO 0.56 0.06 -0.46 -0.07 -1.32 0.00 0.00 178.16 176.92 1um1 h LEU 75 N 0.10 0.00 0.22 2.82 3.38 -1.99 -1.82 115.31 118.03 1um1 h LEU 75 Ca 0.12 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.79 1um1 h LEU 75 Cb 0.35 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.13 1um1 h LEU 75 CO -0.01 0.46 -1.37 0.03 0.09 0.00 0.00 178.44 177.64 1um1 h ARG 76 N 0.00 0.46 0.04 1.13 2.47 -0.89 -2.77 114.38 114.82 1um1 h ARG 76 Ca -0.00 -0.79 -0.00 0.00 -1.26 0.00 0.00 59.98 57.92 1um1 h ARG 76 Cb 1.28 0.29 0.00 0.00 -1.65 0.00 0.00 29.97 29.90 1um1 h ARG 76 CO 0.06 1.38 -0.02 0.00 0.56 0.00 0.00 179.97 181.95 1um1 h ALA 77 N 0.12 -0.05 -0.12 0.04 0.00 -0.38 -0.83 119.26 118.04 1um1 h ALA 77 Ca -0.25 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.53 1um1 h ALA 77 Cb 2.03 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.78 1um1 h ALA 77 CO 0.23 -0.35 -0.28 -0.24 0.00 0.00 0.00 179.25 178.61 1um1 h VAL 78 N -0.41 0.36 -0.17 0.00 3.04 -1.46 -0.65 116.25 116.96 1um1 h VAL 78 Ca -0.01 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.74 1um1 h VAL 78 Cb 0.38 0.36 -0.06 0.00 -2.01 0.00 0.00 31.29 29.95 1um1 h VAL 78 CO 0.01 0.00 -0.25 -0.78 -1.01 0.00 0.00 177.57 175.54 1um1 h ASP 79 N -0.36 -0.78 -0.74 3.17 3.58 -1.47 0.92 116.42 120.74 1um1 h ASP 79 Ca 0.10 0.13 0.13 0.00 0.42 0.00 0.00 57.03 57.81 1um1 h ASP 79 Cb 0.50 0.35 -0.14 0.00 1.72 0.00 0.00 39.33 41.77 1um1 h ASP 79 CO -0.32 -0.29 -0.31 -0.07 -2.88 0.00 0.00 179.24 175.37 1um1 h LEU 80 N -0.30 -1.09 -0.55 2.28 3.38 -0.27 1.26 115.31 120.02 1um1 h LEU 80 Ca 0.11 0.25 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 1um1 h LEU 80 Cb 0.47 0.59 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1um1 h LEU 80 CO -0.34 -0.29 0.08 0.40 0.09 0.00 0.00 178.44 178.38 1um1 h ILE 81 N -0.08 1.26 0.19 1.22 5.03 0.05 -0.81 117.51 124.38 1um1 h ILE 81 Ca 0.30 -0.98 0.01 0.00 -0.12 0.00 0.00 64.86 64.07 1um1 h ILE 81 Cb 0.57 0.82 -0.03 0.00 -3.03 0.00 0.00 36.82 35.15 1um1 h ILE 81 CO -0.79 0.36 -0.28 0.03 -0.68 0.00 0.00 178.15 176.79 1um1 h ARG 82 N 0.81 -0.52 -1.20 2.37 2.47 0.61 -1.47 114.38 117.45 1um1 h ARG 82 Ca 0.17 0.04 -0.38 0.00 -1.26 0.00 0.00 59.98 58.54 1um1 h ARG 82 Cb 0.43 0.12 -0.19 0.00 -1.65 0.00 0.00 29.97 28.68 1um1 h ARG 82 CO 0.01 -0.35 0.49 0.72 0.56 0.00 0.00 179.97 181.41 1um1 n HIS 83 N -5.40 2.01 0.00 3.04 8.25 0.38 -4.79 115.22 118.71 1um1 n HIS 83 Ca -0.08 -1.86 0.00 0.00 -0.26 0.00 0.00 57.72 55.52 1um1 n HIS 83 Cb 0.30 -0.92 0.00 0.00 1.12 0.00 0.00 29.99 30.50 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 -0.27 0.00 0.00 -1.41 0.00 -0.32 -4.93 105.19 98.26 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 -0.39 5.00 -0.02 0.00 -1.26 -4.93 105.19 103.58 1um1 n GLY 85 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.23 1.61 4.76 -1.26 -4.68 118.16 115.36 1um1 n LYS 86 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 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 3.19 -0.25 1.97 1.02 -1.26 -2.04 119.74 122.36 1um1 s LYS 87 Ca 0.00 -0.58 -0.08 0.00 0.02 0.00 0.00 55.97 55.33 1um1 s LYS 87 Cb 0.00 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 1um1 s LYS 87 CO 0.00 -0.91 0.10 -1.64 -0.92 0.00 0.00 175.35 171.99 1um1 s MET 88 N 2.42 3.76 -0.09 1.68 -1.94 0.75 -4.94 119.30 120.94 1um1 s MET 88 Ca 0.17 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 53.73 1um1 s MET 88 Cb -0.16 -3.41 -0.02 0.00 2.01 0.00 0.00 34.83 33.25 1um1 s MET 88 CO 0.16 -0.16 -0.12 0.50 -0.01 0.00 0.00 175.02 175.39 1um1 s ARG 89 N 1.58 2.97 -0.03 2.03 3.52 -1.26 -0.19 118.95 127.57 1um1 s ARG 89 Ca 0.06 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 55.03 1um1 s ARG 89 Cb -0.15 -2.55 0.01 0.00 -1.56 0.00 0.00 34.95 30.69 1um1 s ARG 89 CO 0.06 0.45 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.86 1um1 s PHE 90 N -0.26 0.84 -0.81 5.12 0.08 0.46 0.20 117.98 123.60 1um1 s PHE 90 Ca 0.02 -0.21 -0.12 0.00 0.12 0.00 0.00 56.93 56.75 1um1 s PHE 90 Cb -0.13 -0.62 0.21 0.00 -0.57 0.00 0.00 43.02 41.92 1um1 s PHE 90 CO 0.03 -0.10 0.74 -1.17 -0.10 0.00 0.00 175.22 174.61 1um1 s LEU 91 N 0.27 6.48 0.01 -0.37 2.96 -0.39 -0.15 118.68 127.49 1um1 s LEU 91 Ca -0.04 -2.79 -0.00 0.00 -0.22 0.00 0.00 54.13 51.08 1um1 s LEU 91 Cb -0.09 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1um1 s LEU 91 CO 0.00 -0.52 0.11 0.54 -1.32 0.00 0.00 176.35 175.17 1um1 s VAL 92 N 0.01 4.87 0.60 1.68 0.11 -1.01 0.20 120.40 126.86 1um1 s VAL 92 Ca 0.19 -0.42 0.06 0.00 -2.93 0.00 0.00 61.98 58.87 1um1 s VAL 92 Cb -0.12 -3.27 0.09 0.00 -1.53 0.00 0.00 36.38 31.56 1um1 s VAL 92 CO -0.08 0.29 0.83 0.00 -3.33 0.00 0.00 175.10 172.81 1um1 s ALA 93 N -1.27 4.33 -0.51 1.54 0.00 -0.79 -1.44 121.76 123.62 1um1 s ALA 93 Ca 0.26 -1.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.03 1um1 s ALA 93 Cb -0.12 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.34 1um1 s ALA 93 CO 0.17 -0.98 1.05 0.21 0.00 0.00 0.00 175.76 176.21 1um1 s LYS 94 N -4.79 3.55 0.70 0.00 2.36 -1.14 -4.39 119.74 116.03 1um1 s LYS 94 Ca 0.62 0.23 -0.07 0.00 -2.55 0.00 0.00 55.97 54.21 1um1 s LYS 94 Cb -0.06 -3.96 0.15 0.00 -1.05 0.00 0.00 37.83 32.91 1um1 s LYS 94 CO 0.40 -1.41 0.95 0.43 1.55 0.00 0.00 175.35 177.27 1um1 n SER 95 N 7.69 0.63 -4.68 1.43 7.64 -1.26 -4.95 113.62 120.12 1um1 n SER 95 Ca 0.08 -1.69 -0.32 0.00 1.01 0.00 0.00 58.87 57.95 1um1 n SER 95 Cb 0.49 -0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 62.93 1um1 n SER 95 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1um1 s ASP 96 N -4.67 3.97 -0.01 6.43 1.11 -1.26 -5.05 116.67 117.19 1um1 s ASP 96 Ca 0.58 -1.66 -0.17 0.00 0.18 0.00 0.00 52.55 51.49 1um1 s ASP 96 Cb -0.02 0.51 -0.09 0.00 1.07 0.00 0.00 42.92 44.39 1um1 s ASP 96 CO 0.40 -0.86 0.77 0.58 1.18 0.00 0.00 175.17 177.24 1um1 h VAL 97 N 1.41 0.00 -0.80 -1.27 2.07 -2.00 -3.06 116.25 112.60 1um1 h VAL 97 Ca -0.43 -0.40 0.19 0.00 0.82 0.00 0.00 66.70 66.88 1um1 h VAL 97 Cb 1.31 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.94 1um1 h VAL 97 CO 0.72 0.00 0.06 -0.33 0.02 0.00 0.00 177.57 178.04 1um1 h GLU 98 N -1.00 0.12 -0.80 1.57 5.08 -1.99 0.43 114.58 117.99 1um1 h GLU 98 Ca -0.06 -0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.48 1um1 h GLU 98 Cb 0.46 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 1um1 h GLU 98 CO 0.10 0.08 0.20 1.15 -1.00 0.00 0.00 179.01 179.53 1um1 h THR 99 N 0.12 0.43 0.61 1.13 2.02 -1.96 -0.25 112.91 115.01 1um1 h THR 99 Ca 0.46 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.52 1um1 h THR 99 Cb 0.84 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1um1 h THR 99 CO -0.68 0.04 -0.29 0.00 0.37 0.00 0.00 175.52 174.96 1um1 h ALA 100 N 1.69 -0.82 -0.52 6.16 0.00 -0.05 -2.45 119.26 123.27 1um1 h ALA 100 Ca 0.47 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1um1 h ALA 100 Cb 0.87 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1um1 h ALA 100 CO -0.58 -0.94 -0.31 1.63 0.00 0.00 0.00 179.25 179.06 1um1 n LYS 101 N -5.43 -0.23 -0.32 0.00 5.02 -0.20 0.20 118.16 117.21 1um1 n LYS 101 Ca -0.13 1.23 0.07 0.00 -2.02 0.00 0.00 58.31 57.47 1um1 n LYS 101 Cb 0.34 -1.83 0.17 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.02 -0.69 1.97 1.57 -1.24 1.37 116.57 119.57 1um1 h LYS 102 Ca 0.08 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1um1 h LYS 102 Cb 0.21 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1um1 h LYS 102 CO -0.49 0.01 0.22 0.82 -0.57 0.00 0.00 179.45 179.44 1um1 h ILE 103 N 0.02 1.25 -3.19 1.86 1.08 0.11 -3.08 117.51 115.56 1um1 h ILE 103 Ca 0.47 -0.88 -0.44 0.00 -0.39 0.00 0.00 64.86 63.62 1um1 h ILE 103 Cb 0.81 0.52 0.22 0.00 -3.07 0.00 0.00 36.82 35.30 1um1 h ILE 103 CO -0.88 0.34 -0.08 1.41 -0.69 0.00 0.00 178.15 178.25 1um1 n HIS 104 N -4.32 -1.22 -3.11 1.37 8.25 0.54 -4.78 115.22 111.96 1um1 n HIS 104 Ca 0.05 -0.12 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 1um1 n HIS 104 Cb 0.22 -1.70 -0.07 0.00 1.12 0.00 0.00 29.99 29.56 1um1 n HIS 104 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1um1 s SER 105 N -2.37 6.31 0.64 0.41 0.01 -1.26 -4.85 113.70 112.59 1um1 s SER 105 Ca 0.68 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.45 1um1 s SER 105 Cb -0.25 -2.32 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1um1 s SER 105 CO 0.65 -0.81 0.95 -0.83 0.41 0.00 0.00 173.24 173.61 1um1 s GLY 106 N 2.13 1.65 0.33 3.44 0.00 -1.26 -5.05 107.32 108.55 1um1 s GLY 106 Ca 0.22 -0.79 -0.27 0.00 0.00 0.00 0.00 44.72 43.87 1um1 s GLY 106 CO 0.18 -0.46 1.07 2.56 0.00 0.00 0.00 173.10 176.45 1um1 s PRO 107 N -5.10 4.45 -0.18 2.90 0.04 -1.26 -5.04 135.00 130.82 1um1 s PRO 107 Ca 0.57 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 1um1 s PRO 107 Cb -0.11 -2.93 -0.00 0.00 0.04 0.00 0.00 34.50 31.50 1um1 s PRO 107 CO 0.45 0.08 -0.11 -1.54 0.04 0.00 0.00 177.00 175.92 1um1 s SER 108 N -1.18 3.95 -0.57 6.66 1.04 -1.26 -5.04 113.70 117.30 1um1 s SER 108 Ca 0.50 -0.42 -0.26 0.00 0.48 0.00 0.00 55.95 56.25 1um1 s SER 108 Cb -0.28 -1.64 -0.08 0.00 0.10 0.00 0.00 66.02 64.12 1um1 s SER 108 CO 0.35 0.05 2.38 -0.44 0.98 0.00 0.00 173.24 176.56 1um1 s SER 109 N 1.02 4.35 0.00 7.02 0.01 -1.26 -5.36 113.70 119.48 1um1 s SER 109 Ca -0.01 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1um1 s SER 109 Cb -0.15 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1um1 s SER 109 CO -0.02 -3.09 0.25 0.61 0.41 0.00 0.00 173.24 171.41