#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 -0.23 0.95 1.61 0.01 -1.26 -5.17 113.70 109.61 1um1 s SER 2 Ca 0.00 -0.67 -0.13 0.00 1.31 0.00 0.00 55.95 56.46 1um1 s SER 2 Cb 0.00 0.72 0.16 0.00 0.21 0.00 0.00 66.02 67.11 1um1 s SER 2 CO 0.00 -1.34 1.13 -0.55 0.41 0.00 0.00 173.24 172.89 1um1 s SER 3 N -2.94 3.15 0.48 2.44 0.15 -1.26 -5.09 113.70 110.64 1um1 s SER 3 Ca 0.12 0.97 0.02 0.00 0.70 0.00 0.00 55.95 57.76 1um1 s SER 3 Cb -0.05 -1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 62.71 1um1 s SER 3 CO 0.07 -2.78 0.07 -0.83 1.20 0.00 0.00 173.24 170.98 1um1 s GLY 4 N -3.92 2.93 -0.21 9.45 0.00 -1.26 -5.17 107.32 109.15 1um1 s GLY 4 Ca 0.65 -0.56 -0.27 0.00 0.00 0.00 0.00 44.72 44.53 1um1 s GLY 4 CO 0.54 -2.04 0.89 -1.35 0.00 0.00 0.00 173.10 171.14 1um1 s SER 5 N -3.78 -0.54 0.17 1.64 1.04 -1.26 -5.18 113.70 105.80 1um1 s SER 5 Ca 0.11 0.85 -0.15 0.00 0.48 0.00 0.00 55.95 57.24 1um1 s SER 5 Cb 0.01 0.80 0.02 0.00 0.10 0.00 0.00 66.02 66.95 1um1 s SER 5 CO 0.07 -0.31 0.43 -0.44 0.98 0.00 0.00 173.24 173.98 1um1 s SER 6 N -0.34 -0.17 0.00 7.02 0.01 -1.26 -5.17 113.70 113.80 1um1 s SER 6 Ca -0.01 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1um1 s SER 6 Cb -0.03 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1um1 s SER 6 CO 0.00 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1um1 n GLY 7 N -0.28 4.14 3.23 3.44 0.00 -1.26 -5.14 105.19 109.32 1um1 n GLY 7 Ca -0.10 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.23 1.29 0.31 1.61 -0.85 -1.26 -5.06 117.35 111.15 1um1 s TYR 8 Ca 0.00 -0.61 0.07 0.00 -0.52 0.00 0.00 57.07 56.01 1um1 s TYR 8 Cb 0.00 -0.68 -0.02 0.00 0.38 0.00 0.00 41.96 41.64 1um1 s TYR 8 CO 0.00 0.10 0.34 0.08 -1.52 0.00 0.00 175.55 174.55 1um1 s VAL 9 N -2.41 4.12 -0.10 -3.49 1.01 -1.26 -2.68 120.40 115.59 1um1 s VAL 9 Ca 0.09 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 1um1 s VAL 9 Cb -0.03 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1um1 s VAL 9 CO 0.02 -0.23 0.27 0.72 0.00 0.00 0.00 175.10 175.88 1um1 s PHE 10 N -2.19 -0.31 0.54 5.22 -0.71 -0.43 -4.95 117.98 115.16 1um1 s PHE 10 Ca 0.40 0.75 -0.08 0.00 -1.04 0.00 0.00 56.93 56.95 1um1 s PHE 10 Cb -0.08 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1um1 s PHE 10 CO 0.28 -0.16 0.90 0.99 -1.34 0.00 0.00 175.22 175.88 1um1 s THR 11 N 0.38 4.81 -0.15 -4.49 2.01 -1.26 -2.49 115.64 114.45 1um1 s THR 11 Ca -0.02 0.52 -0.04 0.00 0.31 0.00 0.00 61.69 62.46 1um1 s THR 11 Cb -0.04 -3.87 0.05 0.00 0.01 0.00 0.00 72.50 68.66 1um1 s THR 11 CO -0.02 -0.98 0.07 -0.69 -0.69 0.00 0.00 174.62 172.31 1um1 s VAL 12 N -2.94 0.07 -0.40 3.82 1.01 0.33 -4.94 120.40 117.36 1um1 s VAL 12 Ca 0.51 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 1um1 s VAL 12 Cb -0.11 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.69 1um1 s VAL 12 CO 0.49 -0.18 0.24 -1.61 0.00 0.00 0.00 175.10 174.04 1um1 s GLU 13 N 2.07 2.79 0.44 2.72 2.02 -1.26 -1.52 118.70 125.96 1um1 s GLU 13 Ca 0.02 -1.19 0.04 0.00 0.02 0.00 0.00 54.97 53.86 1um1 s GLU 13 Cb -0.16 -3.80 -0.05 0.00 0.10 0.00 0.00 34.13 30.23 1um1 s GLU 13 CO -0.08 -0.79 0.03 -0.51 0.02 0.00 0.00 175.26 173.93 1um1 s LEU 14 N 1.54 2.47 -0.21 1.80 1.43 -0.70 -5.01 118.68 120.00 1um1 s LEU 14 Ca 0.02 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 1um1 s LEU 14 Cb -0.20 -0.68 0.05 0.00 0.03 0.00 0.00 46.19 45.39 1um1 s LEU 14 CO 0.06 -0.68 -0.07 -0.70 0.23 0.00 0.00 176.35 175.19 1um1 s GLU 15 N -3.80 1.69 -0.53 1.70 2.12 -1.26 -1.62 118.70 117.01 1um1 s GLU 15 Ca 0.23 -0.81 -0.37 0.00 0.36 0.00 0.00 54.97 54.37 1um1 s GLU 15 Cb 0.06 -2.38 -0.18 0.00 0.26 0.00 0.00 34.13 31.89 1um1 s GLU 15 CO 0.12 -0.50 2.01 -2.13 -0.54 0.00 0.00 175.26 174.21 1um1 n ARG 16 N 4.73 0.00 -0.70 4.30 0.63 -0.87 -4.81 116.66 119.94 1um1 n ARG 16 Ca -0.13 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.71 1um1 n ARG 16 Cb 0.46 -1.35 0.06 0.00 0.45 0.00 0.00 32.46 32.08 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 6.58 -0.92 0.00 5.14 0.00 -1.26 -4.88 105.19 109.86 1um1 n GLY 17 Ca 0.51 -1.73 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 -1.83 0.75 -0.02 1.61 -0.04 -1.26 -2.32 135.00 131.90 1um1 n PRO 18 Ca 0.05 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1um1 n PRO 18 Cb 0.18 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.10 1um1 n PRO 18 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1um1 n SER 19 N -0.96 2.58 -0.22 3.54 3.41 -1.26 -5.03 113.62 115.68 1um1 n SER 19 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1um1 n SER 19 Cb 0.08 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 1um1 n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1um1 n GLY 20 N 2.02 0.68 5.00 5.00 0.00 -0.98 -4.43 105.19 112.48 1um1 n GLY 20 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.22 0.00 -1.96 0.99 4.77 -1.26 -4.48 117.00 114.84 1um1 n LEU 21 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1um1 n LEU 21 Cb 0.14 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1um1 n LEU 21 CO 0.00 0.00 0.04 0.61 -1.33 0.00 0.00 177.39 176.71 1um1 n GLY 22 N 0.00 0.02 2.86 -0.72 0.00 -1.26 -3.39 105.19 102.71 1um1 n GLY 22 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.24 1.18 -0.73 1.61 0.00 -1.26 -0.41 119.30 116.44 1um1 s MET 23 Ca 0.08 -1.12 -0.24 0.00 0.00 0.00 0.00 55.69 54.40 1um1 s MET 23 Cb -0.01 -2.45 -0.20 0.00 0.00 0.00 0.00 34.83 32.18 1um1 s MET 23 CO 0.20 -0.80 1.87 0.41 0.00 0.00 0.00 175.02 176.70 1um1 n GLY 24 N 4.69 1.55 3.71 2.11 0.00 0.15 -4.89 105.19 112.52 1um1 n GLY 24 Ca -0.05 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 4.40 4.33 0.19 0.99 1.43 -1.26 0.19 118.68 128.96 1um1 s LEU 25 Ca 0.64 1.41 0.08 0.00 -1.03 0.00 0.00 54.13 55.23 1um1 s LEU 25 Cb 0.10 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 1um1 s LEU 25 CO 0.18 -0.21 -0.16 -0.51 0.23 0.00 0.00 176.35 175.88 1um1 s ILE 26 N 1.02 1.78 -0.13 -0.59 2.07 0.11 -4.87 121.20 120.58 1um1 s ILE 26 Ca 0.44 -2.10 -0.29 0.00 -1.41 0.00 0.00 60.65 57.29 1um1 s ILE 26 Cb -0.19 -1.96 -0.02 0.00 0.13 0.00 0.00 42.46 40.41 1um1 s ILE 26 CO 0.22 -0.49 1.34 -0.62 -1.91 0.00 0.00 174.94 173.48 1um1 s ASP 27 N -3.08 6.90 0.56 4.50 2.15 -1.26 -0.29 116.67 126.15 1um1 s ASP 27 Ca 0.20 1.82 0.46 0.00 0.43 0.00 0.00 52.55 55.46 1um1 s ASP 27 Cb -0.03 -2.54 1.66 0.00 -0.30 0.00 0.00 42.92 41.71 1um1 s ASP 27 CO 0.07 -0.78 1.61 1.23 -0.17 0.00 0.00 175.17 177.13 1um1 h GLY 28 N 9.66 0.00 0.97 2.66 0.00 0.57 1.49 103.07 118.41 1um1 h GLY 28 Ca -0.30 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 1um1 h GLY 28 CO 0.96 0.00 -0.14 -0.33 0.00 0.00 0.00 176.54 177.03 1um1 h MET 29 N 0.00 0.73 -0.82 4.80 2.86 -0.70 -0.06 114.93 121.75 1um1 h MET 29 Ca 0.83 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 58.16 1um1 h MET 29 Cb 3.40 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 34.99 1um1 h MET 29 CO -0.01 0.91 0.47 0.45 1.06 0.00 0.00 176.91 179.79 1um1 h HIS 30 N 0.52 1.09 -4.12 -0.22 3.86 0.18 -3.37 115.15 113.08 1um1 h HIS 30 Ca 0.09 -0.01 -0.48 0.00 -1.16 0.00 0.00 60.37 58.80 1um1 h HIS 30 Cb 0.66 -0.35 0.02 0.00 1.06 0.00 0.00 27.41 28.80 1um1 h HIS 30 CO 0.05 0.73 0.33 0.95 0.86 0.00 0.00 177.93 180.86 1um1 s THR 31 N -5.80 4.62 0.54 2.45 -4.23 -0.94 -4.90 115.64 107.38 1um1 s THR 31 Ca -0.12 1.02 0.42 0.00 -1.18 0.00 0.00 61.69 61.83 1um1 s THR 31 Cb 0.17 -3.76 0.63 0.00 1.34 0.00 0.00 72.50 70.88 1um1 s THR 31 CO 0.81 -0.76 1.69 0.45 -0.54 0.00 0.00 174.62 176.27 1um1 h HIS 32 N 0.71 0.06 -1.00 3.99 3.86 -1.69 0.39 115.15 121.47 1um1 h HIS 32 Ca -0.46 0.00 0.39 0.00 -1.16 0.00 0.00 60.37 59.14 1um1 h HIS 32 Cb 1.19 -0.02 -0.18 0.00 1.06 0.00 0.00 27.41 29.46 1um1 h HIS 32 CO 0.64 -0.01 0.42 1.25 0.86 0.00 0.00 177.93 181.08 1um1 h LEU 33 N 0.02 0.13 0.42 2.43 5.85 -1.74 -3.43 115.31 118.99 1um1 h LEU 33 Ca 0.75 0.27 -0.18 0.00 0.84 0.00 0.00 57.88 59.55 1um1 h LEU 33 Cb 2.92 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 44.20 1um1 h LEU 33 CO -0.05 -0.42 -0.16 0.61 -0.34 0.00 0.00 178.44 178.08 1um1 n GLY 34 N -1.32 0.84 3.79 3.75 0.00 0.14 -4.95 105.19 107.45 1um1 n GLY 34 Ca 0.35 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.75 3.56 0.70 4.61 0.00 -1.10 -4.70 121.76 123.08 1um1 s ALA 35 Ca 0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 1um1 s ALA 35 Cb 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1um1 s ALA 35 CO 0.00 0.50 1.06 -1.25 0.00 0.00 0.00 175.76 176.07 1um1 s PRO 36 N -3.12 2.86 0.00 0.00 0.04 -1.26 -0.07 135.00 133.46 1um1 s PRO 36 Ca 0.31 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1um1 s PRO 36 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1um1 s PRO 36 CO 0.23 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.54 1um1 n GLY 37 N -2.01 1.49 3.90 0.56 0.00 -1.26 -4.69 105.19 103.19 1um1 n GLY 37 Ca 0.07 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 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 4.31 0.00 0.99 2.01 -1.26 0.94 118.68 125.66 1um1 s LEU 38 Ca 0.00 0.27 -0.05 0.00 0.01 0.00 0.00 54.13 54.36 1um1 s LEU 38 Cb 0.00 -2.79 -0.00 0.00 0.01 0.00 0.00 46.19 43.41 1um1 s LEU 38 CO 0.00 0.20 0.09 -0.31 1.01 0.00 0.00 176.35 177.34 1um1 s TYR 39 N -1.43 0.08 0.07 0.29 1.51 0.60 -0.37 117.35 118.10 1um1 s TYR 39 Ca 0.32 -0.18 -0.31 0.00 -1.01 0.00 0.00 57.07 55.89 1um1 s TYR 39 Cb -0.13 -0.07 -0.07 0.00 -0.11 0.00 0.00 41.96 41.58 1um1 s TYR 39 CO 0.24 -0.23 1.33 0.42 -1.11 0.00 0.00 175.55 176.20 1um1 s ILE 40 N -1.20 3.61 -0.06 2.71 1.01 0.71 0.07 121.20 128.05 1um1 s ILE 40 Ca -0.13 1.13 0.06 0.00 0.00 0.00 0.00 60.65 61.71 1um1 s ILE 40 Cb -0.07 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 1um1 s ILE 40 CO 0.01 0.07 0.03 1.67 0.00 0.00 0.00 174.94 176.72 1um1 n GLN 41 N 4.24 2.73 -3.64 2.79 -0.06 0.51 0.21 117.38 124.16 1um1 n GLN 41 Ca 0.11 -0.01 -0.16 0.00 -2.00 0.00 0.00 57.00 54.95 1um1 n GLN 41 Cb 0.44 -1.18 -0.07 0.00 -4.06 0.00 0.00 30.24 25.37 1um1 n GLN 41 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1um1 s THR 42 N -2.19 0.03 -0.08 1.69 -4.23 -1.09 -4.88 115.64 104.89 1um1 s THR 42 Ca -0.03 -0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 1um1 s THR 42 Cb 0.02 -0.81 -0.02 0.00 1.34 0.00 0.00 72.50 73.03 1um1 s THR 42 CO 0.28 -0.13 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.33 1um1 s LEU 43 N -1.24 2.70 0.10 4.79 2.01 -1.26 0.30 118.68 126.08 1um1 s LEU 43 Ca -0.12 -0.26 -0.24 0.00 0.01 0.00 0.00 54.13 53.52 1um1 s LEU 43 Cb -0.03 -1.57 -0.07 0.00 0.01 0.00 0.00 46.19 44.54 1um1 s LEU 43 CO 0.07 0.28 0.74 -0.22 1.01 0.00 0.00 176.35 178.23 1um1 s LEU 44 N -0.31 4.53 0.52 1.79 0.20 0.45 -4.98 118.68 120.87 1um1 s LEU 44 Ca 0.03 1.51 -0.19 0.00 0.69 0.00 0.00 54.13 56.16 1um1 s LEU 44 Cb -0.13 -3.21 -0.07 0.00 -0.43 0.00 0.00 46.19 42.35 1um1 s LEU 44 CO 0.03 0.14 1.04 -2.16 -0.29 0.00 0.00 176.35 175.11 1um1 s PRO 45 N -0.69 3.68 -1.18 0.98 0.04 -1.26 -3.10 135.00 133.46 1um1 s PRO 45 Ca 0.36 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1um1 s PRO 45 Cb -0.22 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1um1 s PRO 45 CO 0.24 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1um1 n GLY 46 N -0.51 1.06 3.98 0.56 0.00 -1.26 -4.94 105.19 104.08 1um1 n GLY 46 Ca 0.09 0.00 -0.20 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 -2.28 5.78 0.14 1.61 1.04 -1.18 -5.00 113.70 113.81 1um1 s SER 47 Ca 0.00 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.30 1um1 s SER 47 Cb 0.00 -1.15 -0.06 0.00 0.10 0.00 0.00 66.02 64.91 1um1 s SER 47 CO 0.00 -0.66 1.34 1.55 0.98 0.00 0.00 173.24 176.45 1um1 h PRO 48 N 0.60 0.45 0.58 4.02 0.13 -1.87 -1.18 132.00 134.73 1um1 h PRO 48 Ca -0.44 -0.44 -0.02 0.00 -0.87 0.00 0.00 66.00 64.23 1um1 h PRO 48 Cb 1.27 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1um1 h PRO 48 CO 0.52 1.08 -0.37 0.00 -0.23 0.00 0.00 178.00 179.00 1um1 h ALA 49 N 0.77 -1.17 -0.31 -0.56 0.00 -1.87 0.02 119.26 116.13 1um1 h ALA 49 Ca -0.06 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1um1 h ALA 49 Cb 1.49 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 1um1 h ALA 49 CO 0.15 -1.14 0.15 0.00 0.00 0.00 0.00 179.25 178.41 1um1 h ALA 50 N -1.34 0.38 -0.86 0.00 0.00 -1.74 -1.85 119.26 113.85 1um1 h ALA 50 Ca -0.08 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.06 1um1 h ALA 50 Cb 0.73 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.32 1um1 h ALA 50 CO 0.07 -0.23 0.08 0.00 0.00 0.00 0.00 179.25 179.16 1um1 h ALA 51 N 1.16 1.04 -1.00 0.00 0.00 -1.05 1.33 119.26 120.75 1um1 h ALA 51 Ca 0.13 0.27 0.28 0.00 0.00 0.00 0.00 54.91 55.58 1um1 h ALA 51 Cb 0.05 0.44 -0.14 0.00 0.00 0.00 0.00 17.79 18.15 1um1 h ALA 51 CO -0.09 -0.48 0.57 0.22 0.00 0.00 0.00 179.25 179.47 1um1 h ASP 52 N 0.11 0.58 0.00 0.00 3.58 -0.11 -3.45 116.42 117.14 1um1 h ASP 52 Ca 0.51 0.16 0.00 0.00 0.42 0.00 0.00 57.03 58.12 1um1 h ASP 52 Cb 0.99 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1um1 h ASP 52 CO -0.74 -0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.22 1um1 n GLY 53 N -1.30 1.99 0.33 -0.78 0.00 0.46 -4.68 105.19 101.20 1um1 n GLY 53 Ca 0.29 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 0.41 -6.04 1.61 1.12 -1.86 -3.35 114.38 106.27 1um1 h ARG 54 Ca 0.00 -0.02 -0.53 0.00 -1.11 0.00 0.00 59.98 58.31 1um1 h ARG 54 Cb 0.00 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.85 1um1 h ARG 54 CO 0.00 0.27 1.38 -0.51 -3.11 0.00 0.00 179.97 178.00 1um1 s LEU 55 N -10.44 3.41 0.02 3.80 1.02 -1.26 -4.94 118.68 110.29 1um1 s LEU 55 Ca -0.11 1.02 0.06 0.00 0.02 0.00 0.00 54.13 55.12 1um1 s LEU 55 Cb 0.27 -3.04 -0.02 0.00 0.02 0.00 0.00 46.19 43.42 1um1 s LEU 55 CO 0.79 -2.14 -0.18 -0.44 0.02 0.00 0.00 176.35 174.40 1um1 s SER 56 N 7.93 2.16 0.19 2.29 0.01 -1.26 -4.75 113.70 120.27 1um1 s SER 56 Ca 0.81 -0.44 -0.31 0.00 1.31 0.00 0.00 55.95 57.32 1um1 s SER 56 Cb -0.19 -0.19 -0.16 0.00 0.21 0.00 0.00 66.02 65.68 1um1 s SER 56 CO 0.28 0.15 0.87 0.18 0.41 0.00 0.00 173.24 175.14 1um1 n LEU 57 N 2.13 0.34 0.00 2.44 4.32 -1.26 -1.22 117.00 123.74 1um1 n LEU 57 Ca -0.16 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.97 1um1 n LEU 57 Cb 0.54 -1.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.24 1um1 n LEU 57 CO 0.23 -2.04 0.00 0.61 -1.22 0.00 0.00 177.39 174.97 1um1 n GLY 58 N 1.76 2.87 3.53 -0.72 0.00 0.13 -4.77 105.19 107.99 1um1 n GLY 58 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.54 -4.05 1.61 9.92 -0.36 -4.60 116.55 118.54 1um1 n ASP 59 Ca 0.00 0.61 -0.29 0.00 -0.53 0.00 0.00 54.79 54.58 1um1 n ASP 59 Cb 0.00 -1.29 -0.17 0.00 -0.64 0.00 0.00 41.12 39.02 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 -3.03 2.30 0.47 -1.24 3.52 -1.26 -0.21 118.95 119.50 1um1 s ARG 60 Ca 0.68 -0.58 -0.19 0.00 -0.13 0.00 0.00 55.73 55.51 1um1 s ARG 60 Cb -0.34 -2.02 -0.10 0.00 -1.56 0.00 0.00 34.95 30.93 1um1 s ARG 60 CO 0.55 -0.14 0.97 0.42 -0.81 0.00 0.00 175.30 176.29 1um1 s ILE 61 N 1.22 4.36 0.00 4.11 -1.09 0.50 -1.78 121.20 128.51 1um1 s ILE 61 Ca -0.01 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.76 1um1 s ILE 61 Cb -0.14 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1um1 s ILE 61 CO -0.06 -0.43 0.00 0.18 -1.23 0.00 0.00 174.94 173.40 1um1 n LEU 62 N -1.00 0.77 -4.23 2.97 4.77 0.53 -4.25 117.00 116.55 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 0.40 0.07 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.51 1um1 s GLU 63 N -1.95 1.00 -0.16 3.23 2.02 -1.16 -1.09 118.70 120.60 1um1 s GLU 63 Ca 0.00 -1.36 -0.05 0.00 0.02 0.00 0.00 54.97 53.58 1um1 s GLU 63 Cb 0.00 -0.62 0.06 0.00 0.10 0.00 0.00 34.13 33.67 1um1 s GLU 63 CO 0.00 0.08 0.12 0.08 0.02 0.00 0.00 175.26 175.56 1um1 s VAL 64 N -3.03 -0.14 -0.51 2.63 1.01 -1.02 -1.04 120.40 118.30 1um1 s VAL 64 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1um1 s VAL 64 Cb 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1um1 s VAL 64 CO 0.01 -0.22 0.00 0.59 0.00 0.00 0.00 175.10 175.48 1um1 n ASN 65 N 5.29 -5.24 -0.11 3.32 3.02 0.49 -1.68 115.26 120.34 1um1 n ASN 65 Ca -0.06 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1um1 n ASN 65 Cb 0.49 -3.16 0.00 0.00 -0.61 0.00 0.00 39.78 36.50 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 -0.18 1.12 2.94 7.41 0.00 -1.26 -4.92 105.19 110.30 1um1 n GLY 66 Ca -0.05 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.31 3.56 -0.21 1.61 0.15 -0.67 -5.08 113.70 110.73 1um1 s SER 67 Ca 0.00 -1.01 -0.36 0.00 0.70 0.00 0.00 55.95 55.27 1um1 s SER 67 Cb 0.00 -1.14 -0.13 0.00 -1.71 0.00 0.00 66.02 63.04 1um1 s SER 67 CO 0.00 -0.20 1.90 -1.54 1.20 0.00 0.00 173.24 174.60 1um1 n SER 68 N 4.71 2.82 -1.87 5.45 3.41 -1.26 -2.45 113.62 124.43 1um1 n SER 68 Ca -0.13 0.89 -0.18 0.00 -0.26 0.00 0.00 58.87 59.20 1um1 n SER 68 Cb 0.45 -1.27 0.11 0.00 -0.26 0.00 0.00 64.21 63.25 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 6.93 5.77 -4.38 1.04 -0.00 -0.25 -4.71 117.00 121.41 1um1 n LEU 69 Ca 0.28 -3.06 -0.45 0.00 -0.00 0.00 0.00 56.01 52.79 1um1 n LEU 69 Cb 0.22 -0.78 -0.04 0.00 -0.00 0.00 0.00 43.42 42.82 1um1 n LEU 69 CO 0.77 0.94 0.43 -0.76 -0.00 0.00 0.00 177.39 178.77 1um1 s LEU 70 N -2.31 5.35 0.00 -1.96 1.43 -1.26 -4.05 118.68 115.88 1um1 s LEU 70 Ca 0.40 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1um1 s LEU 70 Cb 0.33 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1um1 s LEU 70 CO 0.06 -1.13 0.00 0.61 0.23 0.00 0.00 176.35 176.12 1um1 n GLY 71 N 5.28 2.24 3.65 -3.19 0.00 -1.26 -5.05 105.19 106.86 1um1 n GLY 71 Ca -0.09 -0.24 -0.50 0.00 0.00 0.00 0.00 46.02 45.19 1um1 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um1 n LEU 72 N 0.00 2.49 0.00 0.99 4.77 -1.26 -4.94 117.00 119.05 1um1 n LEU 72 Ca 0.00 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 1um1 n LEU 72 Cb 0.00 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 1um1 n LEU 72 CO 0.00 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 1um1 n GLY 73 N 3.34 -3.32 0.10 -0.72 0.00 -1.26 -4.67 105.19 98.65 1um1 n GLY 73 Ca 0.20 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.32 1.06 0.18 1.61 9.36 -1.26 -2.60 117.16 124.20 1um1 n TYR 74 Ca 0.00 0.31 0.07 0.00 3.32 0.00 0.00 57.90 61.61 1um1 n TYR 74 Cb 0.00 -1.17 0.16 0.00 -0.63 0.00 0.00 39.34 37.70 1um1 n TYR 74 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1um1 h LEU 75 N 0.03 0.00 0.14 2.98 3.38 -1.98 -1.06 115.31 118.79 1um1 h LEU 75 Ca -0.35 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.38 1um1 h LEU 75 Cb 2.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 1um1 h LEU 75 CO 0.08 0.27 -1.16 0.03 0.09 0.00 0.00 178.44 177.75 1um1 h ARG 76 N 0.00 0.29 -0.27 1.13 2.47 -1.91 -2.47 114.38 113.61 1um1 h ARG 76 Ca -0.00 -0.49 -0.08 0.00 -1.26 0.00 0.00 59.98 58.15 1um1 h ARG 76 Cb 1.13 0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.63 1um1 h ARG 76 CO 0.04 1.23 -0.14 0.00 0.56 0.00 0.00 179.97 181.66 1um1 h ALA 77 N 0.02 0.38 -0.41 0.04 0.00 -1.54 -1.40 119.26 116.34 1um1 h ALA 77 Ca -0.23 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1um1 h ALA 77 Cb 1.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1um1 h ALA 77 CO 0.11 0.26 0.25 -0.24 0.00 0.00 0.00 179.25 179.63 1um1 h VAL 78 N 0.31 1.14 -0.75 0.00 3.04 -1.33 -2.06 116.25 116.59 1um1 h VAL 78 Ca 0.06 -0.32 0.05 0.00 -1.01 0.00 0.00 66.70 65.48 1um1 h VAL 78 Cb 0.66 0.60 -0.06 0.00 -2.01 0.00 0.00 31.29 30.48 1um1 h VAL 78 CO 0.04 0.14 0.45 -0.78 -1.01 0.00 0.00 177.57 176.41 1um1 h ASP 79 N 0.55 0.71 0.12 3.17 1.82 -1.34 1.53 116.42 122.97 1um1 h ASP 79 Ca 0.15 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.82 1um1 h ASP 79 Cb 0.01 -0.13 -0.05 0.00 0.68 0.00 0.00 39.33 39.85 1um1 h ASP 79 CO -0.03 0.46 -0.48 -0.07 -1.61 0.00 0.00 179.24 177.51 1um1 h LEU 80 N 0.84 -1.42 -0.09 2.28 3.38 -0.58 1.70 115.31 121.42 1um1 h LEU 80 Ca 0.33 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 1um1 h LEU 80 Cb 0.15 0.53 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1um1 h LEU 80 CO -0.16 -0.53 0.01 0.40 0.09 0.00 0.00 178.44 178.25 1um1 h ILE 81 N -0.71 1.23 -0.28 1.22 5.03 -0.94 -1.34 117.51 121.72 1um1 h ILE 81 Ca 0.01 -0.72 0.07 0.00 -0.12 0.00 0.00 64.86 64.10 1um1 h ILE 81 Cb 0.73 1.54 -0.08 0.00 -3.03 0.00 0.00 36.82 35.98 1um1 h ILE 81 CO -0.27 0.20 -0.28 -0.09 -0.68 0.00 0.00 178.15 177.04 1um1 h ARG 82 N -0.11 -0.26 -1.22 2.37 2.43 0.26 0.18 114.38 118.03 1um1 h ARG 82 Ca 0.03 0.02 -0.37 0.00 -0.81 0.00 0.00 59.98 58.85 1um1 h ARG 82 Cb 0.31 0.06 -0.18 0.00 -0.42 0.00 0.00 29.97 29.74 1um1 h ARG 82 CO 0.00 -0.17 0.47 0.72 -1.51 0.00 0.00 179.97 179.48 1um1 n HIS 83 N -5.40 1.91 0.00 2.20 8.25 0.58 -4.87 115.22 117.89 1um1 n HIS 83 Ca -0.00 -1.82 0.00 0.00 -0.26 0.00 0.00 57.72 55.63 1um1 n HIS 83 Cb 0.31 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.52 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 -0.20 -1.64 3.67 -1.41 0.00 0.62 -4.90 105.19 101.33 1um1 n GLY 84 Ca 0.37 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1um1 n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1um1 s GLY 85 N 0.00 0.70 0.38 -0.02 0.00 -1.26 -5.01 107.32 102.10 1um1 s GLY 85 Ca 0.00 -0.96 0.19 0.00 0.00 0.00 0.00 44.72 43.95 1um1 s GLY 85 CO 0.00 -0.56 1.69 0.50 0.00 0.00 0.00 173.10 174.73 1um1 h LYS 86 N 2.08 0.29 -4.87 2.90 1.57 -1.95 -3.32 116.57 113.27 1um1 h LYS 86 Ca -0.28 -0.02 -0.67 0.00 -1.87 0.00 0.00 60.65 57.81 1um1 h LYS 86 Cb 1.25 -0.06 -0.26 0.00 0.08 0.00 0.00 32.23 33.23 1um1 h LYS 86 CO 0.37 0.19 -0.65 0.15 -0.57 0.00 0.00 179.45 178.94 1um1 s LYS 87 N -5.52 3.23 -0.19 3.15 1.02 -1.26 -2.04 119.74 118.12 1um1 s LYS 87 Ca -0.09 -0.76 -0.00 0.00 0.02 0.00 0.00 55.97 55.14 1um1 s LYS 87 Cb 0.29 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 1um1 s LYS 87 CO 0.80 -0.35 -0.15 -1.64 -0.92 0.00 0.00 175.35 173.08 1um1 s MET 88 N 1.51 3.11 -0.12 1.68 -1.94 -0.64 -4.96 119.30 117.94 1um1 s MET 88 Ca 0.04 -0.77 -0.02 0.00 -1.71 0.00 0.00 55.69 53.23 1um1 s MET 88 Cb -0.16 -2.70 -0.03 0.00 2.01 0.00 0.00 34.83 33.95 1um1 s MET 88 CO 0.01 -0.20 -0.04 1.03 -0.01 0.00 0.00 175.02 175.81 1um1 s ARG 89 N 1.34 3.34 -0.03 2.03 0.52 -1.26 -1.72 118.95 123.17 1um1 s ARG 89 Ca 0.05 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1um1 s ARG 89 Cb -0.13 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.53 1um1 s ARG 89 CO -0.10 0.41 -0.10 -0.06 0.02 0.00 0.00 175.30 175.47 1um1 s PHE 90 N -0.11 1.04 -0.72 -0.53 0.08 -0.57 0.18 117.98 117.35 1um1 s PHE 90 Ca 0.02 -0.26 -0.08 0.00 0.12 0.00 0.00 56.93 56.73 1um1 s PHE 90 Cb -0.13 -0.73 0.19 0.00 -0.57 0.00 0.00 43.02 41.77 1um1 s PHE 90 CO 0.03 -0.11 0.59 -1.17 -0.10 0.00 0.00 175.22 174.46 1um1 s LEU 91 N 0.17 5.94 0.06 -0.37 2.96 -0.21 -0.51 118.68 126.71 1um1 s LEU 91 Ca -0.03 -2.79 0.01 0.00 -0.22 0.00 0.00 54.13 51.11 1um1 s LEU 91 Cb -0.09 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1um1 s LEU 91 CO 0.01 -0.46 0.13 0.54 -1.32 0.00 0.00 176.35 175.24 1um1 s VAL 92 N 0.03 4.89 0.53 1.68 0.11 -1.04 0.20 120.40 126.80 1um1 s VAL 92 Ca 0.17 -0.57 0.06 0.00 -2.93 0.00 0.00 61.98 58.72 1um1 s VAL 92 Cb -0.16 -3.35 0.05 0.00 -1.53 0.00 0.00 36.38 31.40 1um1 s VAL 92 CO -0.06 0.17 0.73 0.00 -3.33 0.00 0.00 175.10 172.61 1um1 s ALA 93 N -1.40 4.34 -0.73 1.54 0.00 -0.74 -1.31 121.76 123.46 1um1 s ALA 93 Ca 0.30 -1.74 -0.21 0.00 0.00 0.00 0.00 51.96 50.30 1um1 s ALA 93 Cb -0.12 -1.73 0.09 0.00 0.00 0.00 0.00 23.12 21.36 1um1 s ALA 93 CO 0.23 -0.71 1.00 0.21 0.00 0.00 0.00 175.76 176.49 1um1 s LYS 94 N -4.64 3.23 0.84 0.00 2.36 -1.09 -4.37 119.74 116.07 1um1 s LYS 94 Ca 0.59 -1.10 -0.09 0.00 -2.55 0.00 0.00 55.97 52.82 1um1 s LYS 94 Cb -0.08 -4.42 0.15 0.00 -1.05 0.00 0.00 37.83 32.43 1um1 s LYS 94 CO 0.37 -1.80 1.16 -1.12 1.55 0.00 0.00 175.35 175.52 1um1 s SER 95 N 3.70 3.84 0.50 1.43 0.01 -1.26 -4.88 113.70 117.04 1um1 s SER 95 Ca 0.24 0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.62 1um1 s SER 95 Cb -0.14 -0.36 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 1um1 s SER 95 CO 0.05 -2.24 0.03 -1.81 0.41 0.00 0.00 173.24 169.68 1um1 s ASP 96 N -4.77 3.88 0.08 2.44 1.01 -1.26 -5.02 116.67 113.03 1um1 s ASP 96 Ca 0.69 -1.68 -0.26 0.00 0.71 0.00 0.00 52.55 52.01 1um1 s ASP 96 Cb -0.06 0.57 -0.16 0.00 1.01 0.00 0.00 42.92 44.28 1um1 s ASP 96 CO 0.49 -0.89 1.68 -0.37 0.21 0.00 0.00 175.17 176.29 1um1 h VAL 97 N 1.42 0.79 -0.92 -1.27 -1.51 -1.99 -2.73 116.25 110.03 1um1 h VAL 97 Ca -0.42 -0.04 0.17 0.00 -1.23 0.00 0.00 66.70 65.18 1um1 h VAL 97 Cb 1.31 0.81 -0.16 0.00 -2.13 0.00 0.00 31.29 31.12 1um1 h VAL 97 CO 0.70 0.01 -0.30 -0.33 -1.23 0.00 0.00 177.57 176.42 1um1 h GLU 98 N -0.32 -0.02 -0.94 5.19 5.08 -1.98 1.40 114.58 123.00 1um1 h GLU 98 Ca -0.03 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.48 1um1 h GLU 98 Cb 0.24 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.41 1um1 h GLU 98 CO 0.05 -0.01 0.55 1.15 -1.00 0.00 0.00 179.01 179.75 1um1 h THR 99 N -0.02 0.80 -0.19 1.13 2.02 -1.86 -0.31 112.91 114.48 1um1 h THR 99 Ca 0.39 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 67.16 1um1 h THR 99 Cb 0.64 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1um1 h THR 99 CO -0.94 0.15 -0.40 0.00 0.37 0.00 0.00 175.52 174.70 1um1 h ALA 100 N 1.57 0.31 -0.91 6.16 0.00 0.17 -2.40 119.26 124.16 1um1 h ALA 100 Ca 0.50 -0.45 0.26 0.00 0.00 0.00 0.00 54.91 55.22 1um1 h ALA 100 Cb 0.64 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.22 1um1 h ALA 100 CO -0.32 0.41 0.21 0.87 0.00 0.00 0.00 179.25 180.42 1um1 h LYS 101 N 0.29 0.14 -0.18 0.00 1.57 0.23 1.41 116.57 120.03 1um1 h LYS 101 Ca 0.01 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1um1 h LYS 101 Cb 1.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1um1 h LYS 101 CO 0.09 0.09 -0.67 0.87 -0.57 0.00 0.00 179.45 179.26 1um1 h LYS 102 N 0.14 0.71 0.00 3.15 1.57 -1.32 -2.75 116.57 118.07 1um1 h LYS 102 Ca 0.59 -0.52 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1um1 h LYS 102 Cb 1.23 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 1um1 h LYS 102 CO -0.72 1.14 -0.10 0.82 -0.57 0.00 0.00 179.45 180.01 1um1 h ILE 103 N 0.51 0.56 -1.73 1.86 1.08 0.18 -2.63 117.51 117.34 1um1 h ILE 103 Ca -0.02 -0.45 -0.48 0.00 -0.39 0.00 0.00 64.86 63.51 1um1 h ILE 103 Cb 1.27 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 36.28 1um1 h ILE 103 CO 0.13 0.10 -0.41 -1.00 -0.69 0.00 0.00 178.15 176.29 1um1 s HIS 104 N -4.26 2.87 0.05 1.37 3.76 0.39 -4.88 115.29 114.60 1um1 s HIS 104 Ca -0.03 -0.35 0.07 0.00 -0.15 0.00 0.00 55.06 54.61 1um1 s HIS 104 Cb 0.13 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 1um1 s HIS 104 CO 0.58 0.05 -0.20 -1.12 -0.85 0.00 0.00 174.74 173.19 1um1 s SER 105 N -4.07 2.42 0.00 1.40 0.01 -1.26 -4.83 113.70 107.37 1um1 s SER 105 Ca 0.44 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1um1 s SER 105 Cb -0.06 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1um1 s SER 105 CO 0.28 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.67 1um1 n GLY 106 N 1.71 2.22 0.14 3.44 0.00 -1.26 -5.02 105.19 106.42 1um1 n GLY 106 Ca -0.18 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.38 -0.33 1.61 0.13 -1.98 -3.31 132.00 128.50 1um1 h PRO 107 Ca 0.00 -0.37 0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1um1 h PRO 107 Cb 0.00 0.10 -0.08 0.00 0.13 0.00 0.00 31.00 31.14 1um1 h PRO 107 CO 0.00 1.04 -0.31 1.03 -0.23 0.00 0.00 178.00 179.53 1um1 h SER 108 N -0.13 -1.01 -3.21 1.44 0.87 -2.06 -3.37 113.55 106.07 1um1 h SER 108 Ca -0.05 0.18 -0.56 0.00 -1.23 0.00 0.00 61.79 60.12 1um1 h SER 108 Cb 1.19 0.47 -0.04 0.00 -0.44 0.00 0.00 62.40 63.57 1um1 h SER 108 CO 0.10 -0.32 0.62 -0.55 -0.53 0.00 0.00 176.83 176.15 1um1 s SER 109 N -5.04 7.21 0.00 6.23 0.15 -1.25 -5.31 113.70 115.68 1um1 s SER 109 Ca -0.15 1.49 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1um1 s SER 109 Cb 0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1um1 s SER 109 CO 0.68 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 175.22