#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1m s SER 2 N 0.00 5.23 0.29 1.61 0.01 -1.26 -5.09 113.70 114.49 1x1m s SER 2 Ca 0.00 -2.03 -0.20 0.00 1.31 0.00 0.00 55.95 55.03 1x1m s SER 2 Cb 0.00 -1.82 -0.09 0.00 0.21 0.00 0.00 66.02 64.32 1x1m s SER 2 CO 0.00 -0.53 0.80 -0.44 0.41 0.00 0.00 173.24 173.47 1x1m s SER 3 N 1.77 7.03 -0.34 2.44 0.01 -1.26 -4.99 113.70 118.37 1x1m s SER 3 Ca 0.08 1.50 0.08 0.00 1.31 0.00 0.00 55.95 58.93 1x1m s SER 3 Cb -0.23 -2.45 0.32 0.00 0.21 0.00 0.00 66.02 63.87 1x1m s SER 3 CO -0.04 -0.09 1.31 0.61 0.41 0.00 0.00 173.24 175.44 1x1m n GLY 4 N 0.28 1.08 2.83 3.44 0.00 -1.26 -5.15 105.19 106.42 1x1m n GLY 4 Ca 0.01 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1x1m n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1m n SER 5 N -0.84 -4.82 -0.05 1.61 3.41 -1.26 -4.91 113.62 106.77 1x1m n SER 5 Ca -0.11 0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.69 1x1m n SER 5 Cb 0.80 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.91 1x1m n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1x1m h SER 6 N -0.61 -0.01 -3.91 4.04 4.64 -2.06 -3.49 113.55 112.15 1x1m h SER 6 Ca -0.39 -0.79 -0.12 0.00 -0.47 0.00 0.00 61.79 60.01 1x1m h SER 6 Cb 1.24 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.42 1x1m h SER 6 CO 0.27 0.82 -0.36 0.61 -0.87 0.00 0.00 176.83 177.29 1x1m n GLY 7 N 1.23 0.03 3.11 -0.77 0.00 -1.26 -5.04 105.19 102.50 1x1m n GLY 7 Ca -0.09 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1x1m n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x1m s MET 8 N -3.93 2.28 -0.13 1.61 1.00 -1.26 -5.10 119.30 113.78 1x1m s MET 8 Ca 0.14 -1.35 -0.00 0.00 0.00 0.00 0.00 55.69 54.47 1x1m s MET 8 Cb -0.02 -3.05 -0.02 0.00 0.00 0.00 0.00 34.83 31.75 1x1m s MET 8 CO 0.32 -0.62 -0.12 -1.12 0.00 0.00 0.00 175.02 173.48 1x1m s SER 9 N 1.17 4.14 -1.20 3.03 0.01 -1.26 -5.04 113.70 114.55 1x1m s SER 9 Ca -0.06 -0.28 -0.07 0.00 1.31 0.00 0.00 55.95 56.85 1x1m s SER 9 Cb -0.20 -1.56 0.23 0.00 0.21 0.00 0.00 66.02 64.70 1x1m s SER 9 CO -0.03 0.19 1.74 0.00 0.41 0.00 0.00 173.24 175.54 1x1m n LEU 10 N 3.39 6.64 -4.11 2.44 -0.00 -1.26 -4.95 117.00 119.15 1x1m n LEU 10 Ca -0.18 -4.90 -0.21 0.00 -0.00 0.00 0.00 56.01 50.72 1x1m n LEU 10 Cb 0.53 -1.38 -0.14 0.00 -0.00 0.00 0.00 43.42 42.42 1x1m n LEU 10 CO 0.30 1.55 -0.46 -0.44 -0.00 0.00 0.00 177.39 178.34 1x1m s SER 11 N -0.31 1.55 -0.03 1.45 0.01 -1.26 -4.88 113.70 110.23 1x1m s SER 11 Ca 0.36 -0.32 -0.19 0.00 1.31 0.00 0.00 55.95 57.12 1x1m s SER 11 Cb 0.08 -0.14 -0.32 0.00 0.21 0.00 0.00 66.02 65.85 1x1m s SER 11 CO 0.04 0.11 0.88 -0.78 0.41 0.00 0.00 173.24 173.91 1x1m h ASP 12 N 5.49 0.57 -2.56 2.44 1.82 -1.92 -3.45 116.42 118.80 1x1m h ASP 12 Ca -0.35 -0.94 -0.53 0.00 -0.39 0.00 0.00 57.03 54.83 1x1m h ASP 12 Cb 1.17 -0.19 0.04 0.00 0.68 0.00 0.00 39.33 41.03 1x1m h ASP 12 CO 0.47 1.52 1.09 0.86 -1.61 0.00 0.00 179.24 181.57 1x1m s TRP 13 N -2.48 2.26 0.25 0.28 -0.11 -1.26 -4.99 118.94 112.88 1x1m s TRP 13 Ca -0.13 0.05 0.05 0.00 1.22 0.00 0.00 56.10 57.30 1x1m s TRP 13 Cb 0.02 -4.16 -0.05 0.00 -1.50 0.00 0.00 33.47 27.78 1x1m s TRP 13 CO 0.86 -4.71 -0.05 -3.38 -4.62 0.00 0.00 176.95 165.05 1x1m s HIS 14 N 2.53 1.74 0.09 5.86 -3.43 -1.26 -3.63 115.29 117.19 1x1m s HIS 14 Ca 0.80 -0.78 -0.10 0.00 -0.80 0.00 0.00 55.06 54.18 1x1m s HIS 14 Cb -0.46 -0.98 0.00 0.00 -1.43 0.00 0.00 32.58 29.71 1x1m s HIS 14 CO 0.35 0.15 0.23 -1.17 -2.00 0.00 0.00 174.74 172.30 1x1m s LEU 15 N -3.36 1.24 0.15 5.38 2.96 0.35 -4.34 118.68 121.06 1x1m s LEU 15 Ca 0.28 -0.59 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 1x1m s LEU 15 Cb 0.04 1.18 -0.04 0.00 0.50 0.00 0.00 46.19 47.87 1x1m s LEU 15 CO 0.10 -0.75 0.13 0.00 -1.32 0.00 0.00 176.35 174.51 1x1m s ALA 16 N -3.85 3.59 0.05 5.97 0.00 -0.82 -0.18 121.76 126.53 1x1m s ALA 16 Ca 0.05 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1x1m s ALA 16 Cb 0.04 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1x1m s ALA 16 CO -0.11 0.55 -0.05 0.08 0.00 0.00 0.00 175.76 176.22 1x1m s VAL 17 N -1.69 0.42 -0.13 0.00 1.01 -0.25 -2.34 120.40 117.42 1x1m s VAL 17 Ca 0.31 -1.38 -0.08 0.00 0.00 0.00 0.00 61.98 60.83 1x1m s VAL 17 Cb -0.10 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.37 1x1m s VAL 17 CO 0.23 -0.65 0.32 -0.54 0.00 0.00 0.00 175.10 174.47 1x1m s LYS 18 N -2.54 0.30 -0.76 2.72 -0.14 -0.39 -2.71 119.74 116.22 1x1m s LYS 18 Ca -0.03 0.63 -0.26 0.00 -1.36 0.00 0.00 55.97 54.95 1x1m s LYS 18 Cb -0.03 -0.05 0.04 0.00 -1.68 0.00 0.00 37.83 36.11 1x1m s LYS 18 CO -0.03 -0.15 1.27 -1.17 -0.76 0.00 0.00 175.35 174.50 1x1m s LEU 19 N 1.22 3.33 0.44 3.17 2.96 -1.26 -2.31 118.68 126.22 1x1m s LEU 19 Ca -0.09 -0.61 0.18 0.00 -0.22 0.00 0.00 54.13 53.40 1x1m s LEU 19 Cb -0.09 -2.55 1.12 0.00 0.50 0.00 0.00 46.19 45.18 1x1m s LEU 19 CO -0.10 -1.76 1.88 0.00 -1.32 0.00 0.00 176.35 175.05 1x1m h ALA 20 N 9.95 2.24 -0.51 5.97 0.00 -1.90 0.12 119.26 135.14 1x1m h ALA 20 Ca -0.23 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1x1m h ALA 20 Cb 1.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1x1m h ALA 20 CO 1.28 -0.50 0.09 0.22 0.00 0.00 0.00 179.25 180.34 1x1m h ASP 21 N 0.36 0.75 -3.72 0.00 3.58 -1.90 -3.37 116.42 112.13 1x1m h ASP 21 Ca 0.43 -0.15 -0.62 0.00 0.42 0.00 0.00 57.03 57.11 1x1m h ASP 21 Cb 1.11 -0.20 -0.40 0.00 1.72 0.00 0.00 39.33 41.57 1x1m h ASP 21 CO -0.14 0.76 -0.71 -1.10 -2.88 0.00 0.00 179.24 175.18 1x1m s GLN 22 N -5.13 1.41 0.32 0.28 -0.21 0.42 -4.95 119.66 111.79 1x1m s GLN 22 Ca -0.09 -1.98 0.26 0.00 0.02 0.00 0.00 55.36 53.56 1x1m s GLN 22 Cb 0.15 -2.72 1.07 0.00 1.00 0.00 0.00 33.01 32.51 1x1m s GLN 22 CO 0.80 -1.07 1.77 -1.00 -2.12 0.00 0.00 175.29 173.67 1x1m h PRO 23 N 7.09 0.00 0.00 2.91 0.13 -1.72 -2.69 132.00 137.71 1x1m h PRO 23 Ca -0.06 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.91 1x1m h PRO 23 Cb 0.95 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 1x1m h PRO 23 CO 0.54 0.00 -0.84 -0.07 -0.23 0.00 0.00 178.00 177.40 1x1m h LEU 24 N 0.00 0.00-10.03 1.56 3.38 -1.92 -3.46 115.31 104.83 1x1m h LEU 24 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1x1m h LEU 24 Cb 0.38 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.25 1x1m h LEU 24 CO 0.00 0.74 0.58 0.00 0.09 0.00 0.00 178.44 179.86 1x1m s ALA 25 N -2.83 2.88 0.98 1.53 0.00 -1.01 -5.00 121.76 118.30 1x1m s ALA 25 Ca 0.02 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 1x1m s ALA 25 Cb 0.09 -3.52 0.18 0.00 0.00 0.00 0.00 23.12 19.86 1x1m s ALA 25 CO 0.79 -1.19 1.09 -1.25 0.00 0.00 0.00 175.76 175.20 1x1m s PRO 26 N -2.82 0.59 0.18 0.00 0.04 -1.26 -4.86 135.00 126.87 1x1m s PRO 26 Ca 0.69 0.58 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 1x1m s PRO 26 Cb -0.38 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1x1m s PRO 26 CO 0.45 -2.64 0.69 0.21 0.04 0.00 0.00 177.00 175.76 1x1m s LYS 27 N -4.96 4.29 -0.09 4.56 2.20 -1.26 -4.77 119.74 119.71 1x1m s LYS 27 Ca 0.65 0.88 0.05 0.00 -0.36 0.00 0.00 55.97 57.19 1x1m s LYS 27 Cb -0.18 -3.04 -0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1x1m s LYS 27 CO 0.57 0.49 -0.24 -1.12 -0.36 0.00 0.00 175.35 174.69 1x1m s SER 28 N -1.44 3.08 0.03 1.43 0.01 -1.10 -4.96 113.70 110.75 1x1m s SER 28 Ca 0.38 -0.54 -0.20 0.00 1.31 0.00 0.00 55.95 56.90 1x1m s SER 28 Cb -0.19 -1.23 -0.06 0.00 0.21 0.00 0.00 66.02 64.75 1x1m s SER 28 CO 0.22 0.19 0.58 -0.63 0.41 0.00 0.00 173.24 174.00 1x1m s ILE 29 N 0.18 4.83 -0.06 1.44 -1.09 -1.26 -1.09 121.20 124.16 1x1m s ILE 29 Ca -0.14 1.22 0.04 0.00 -2.23 0.00 0.00 60.65 59.54 1x1m s ILE 29 Cb -0.17 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1x1m s ILE 29 CO 0.07 0.48 -0.18 -0.22 -1.23 0.00 0.00 174.94 173.87 1x1m s LEU 30 N -0.63 1.90 -0.19 2.97 2.96 0.75 -4.95 118.68 121.49 1x1m s LEU 30 Ca 0.30 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1x1m s LEU 30 Cb -0.19 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 1x1m s LEU 30 CO 0.18 0.13 -0.07 -1.10 -1.32 0.00 0.00 176.35 174.17 1x1m s GLN 31 N 0.25 3.38 0.50 1.98 -0.21 -1.26 -0.49 119.66 123.80 1x1m s GLN 31 Ca -0.10 -0.64 -0.18 0.00 0.02 0.00 0.00 55.36 54.46 1x1m s GLN 31 Cb -0.14 -2.89 -0.08 0.00 1.00 0.00 0.00 33.01 30.89 1x1m s GLN 31 CO 0.04 -0.07 0.98 -0.48 -2.12 0.00 0.00 175.29 173.64 1x1m s LEU 32 N 1.13 3.71 0.00 2.90 0.05 -1.24 -4.96 118.68 120.28 1x1m s LEU 32 Ca 0.01 1.64 -0.08 0.00 0.05 0.00 0.00 54.13 55.75 1x1m s LEU 32 Cb -0.14 -4.52 0.12 0.00 -2.05 0.00 0.00 46.19 39.59 1x1m s LEU 32 CO -0.01 -0.58 0.43 -0.81 -0.55 0.00 0.00 176.35 174.83 1x1m n PRO 33 N -1.33 -1.87 -0.78 1.48 -0.04 -1.26 -4.60 135.00 126.60 1x1m n PRO 33 Ca 0.07 -0.69 -0.32 0.00 -0.04 0.00 0.00 63.50 62.52 1x1m n PRO 33 Cb 0.54 -0.65 0.15 0.00 -0.04 0.00 0.00 33.50 33.50 1x1m n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x1m n GLU 34 N -2.83 -0.32 -4.27 0.54 1.02 -1.26 -5.00 120.64 108.53 1x1m n GLU 34 Ca 0.06 -0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 56.93 1x1m n GLU 34 Cb 0.23 -2.31 -0.08 0.00 -0.02 0.00 0.00 31.44 29.27 1x1m n GLU 34 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1x1m s THR 35 N -2.50 3.46 0.09 2.62 2.01 -1.26 -5.05 115.64 115.01 1x1m s THR 35 Ca 0.67 -1.72 -0.22 0.00 0.31 0.00 0.00 61.69 60.73 1x1m s THR 35 Cb -0.24 -2.79 -0.12 0.00 0.01 0.00 0.00 72.50 69.36 1x1m s THR 35 CO 0.58 -0.24 1.70 1.05 -0.69 0.00 0.00 174.62 177.03 1x1m h GLU 36 N 2.36 0.12 0.00 4.92 4.11 -1.95 -3.36 114.58 120.78 1x1m h GLU 36 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1x1m h GLU 36 Cb 1.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1x1m h GLU 36 CO 0.58 0.14 0.00 1.28 0.07 0.00 0.00 179.01 181.08 1x1m n LEU 37 N -4.99 1.09 0.00 3.06 7.99 -1.26 -5.09 117.00 117.80 1x1m n LEU 37 Ca -0.06 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 1x1m n LEU 37 Cb 0.06 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.10 1x1m n LEU 37 CO 0.34 -0.27 0.00 0.61 -1.51 0.00 0.00 177.39 176.56 1x1m n GLY 38 N 1.61 1.76 0.10 -0.72 0.00 -1.26 -5.05 105.19 101.64 1x1m n GLY 38 Ca 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 1x1m n GLY 38 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x1m n GLU 39 N 0.00 0.77 0.17 1.61 0.28 -1.26 -4.37 120.64 117.84 1x1m n GLU 39 Ca 0.00 0.08 0.13 0.00 -0.16 0.00 0.00 57.16 57.20 1x1m n GLU 39 Cb 0.00 -1.46 0.38 0.00 1.43 0.00 0.00 31.44 31.79 1x1m n GLU 39 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 177.13 177.07 1x1m h TYR 40 N 0.00 0.00 -1.37 -1.84 -0.00 -2.03 -3.41 116.97 108.32 1x1m h TYR 40 Ca -0.50 0.00 0.22 0.00 0.00 0.00 0.00 58.73 58.45 1x1m h TYR 40 Cb 1.92 0.00 -0.22 0.00 0.00 0.00 0.00 36.73 38.43 1x1m h TYR 40 CO 0.02 0.00 0.81 -1.12 -0.00 0.00 0.00 178.16 177.86 1x1m s SER 41 N -3.70 -0.15 -0.01 0.10 0.01 -1.26 -5.10 113.70 103.59 1x1m s SER 41 Ca -0.02 0.08 -0.05 0.00 1.31 0.00 0.00 55.95 57.27 1x1m s SER 41 Cb 0.07 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 1x1m s SER 41 CO 0.24 -0.19 -0.10 0.18 0.41 0.00 0.00 173.24 173.78 1x1m n LEU 42 N 0.23 1.00 -3.36 2.44 4.77 -1.26 -4.14 117.00 116.68 1x1m n LEU 42 Ca -0.01 0.15 -0.17 0.00 -0.03 0.00 0.00 56.01 55.94 1x1m n LEU 42 Cb 0.58 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1x1m n LEU 42 CO 0.10 -0.54 -0.17 0.61 -1.33 0.00 0.00 177.39 176.05 1x1m n GLY 43 N 2.68 -0.86 0.00 -0.72 0.00 -1.26 -4.59 105.19 100.44 1x1m n GLY 43 Ca -0.04 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1x1m n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1m n GLY 44 N -1.24 0.04 3.65 -0.02 0.00 -1.26 -4.94 105.19 101.42 1x1m n GLY 44 Ca -0.22 -0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.32 1x1m n GLY 44 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x1m n TYR 45 N 0.00 2.07 -3.16 1.61 4.01 -1.26 -4.84 117.16 115.59 1x1m n TYR 45 Ca 0.00 0.35 -0.39 0.00 -0.16 0.00 0.00 57.90 57.70 1x1m n TYR 45 Cb 0.00 -2.50 -0.06 0.00 -0.31 0.00 0.00 39.34 36.48 1x1m n TYR 45 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1x1m s SER 46 N 1.18 6.77 0.20 7.72 0.01 -1.26 -2.42 113.70 125.89 1x1m s SER 46 Ca 0.82 0.93 -0.05 0.00 1.31 0.00 0.00 55.95 58.96 1x1m s SER 46 Cb -0.77 -2.35 0.35 0.00 0.21 0.00 0.00 66.02 63.47 1x1m s SER 46 CO 0.42 -0.14 1.09 -0.38 0.41 0.00 0.00 173.24 174.64 1x1m n ILE 47 N 4.10 -0.29 -0.26 1.44 2.08 -0.80 0.14 119.36 125.76 1x1m n ILE 47 Ca -0.03 1.58 0.02 0.00 0.56 0.00 0.00 62.75 64.88 1x1m n ILE 47 Cb 0.51 -2.21 0.10 0.00 -0.75 0.00 0.00 39.64 37.29 1x1m n ILE 47 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1x1m h SER 48 N 0.00 -0.67 -0.40 4.38 0.87 -1.81 -1.80 113.55 114.12 1x1m h SER 48 Ca 0.35 0.22 0.04 0.00 -1.23 0.00 0.00 61.79 61.17 1x1m h SER 48 Cb 0.56 0.46 -0.05 0.00 -0.44 0.00 0.00 62.40 62.92 1x1m h SER 48 CO -0.71 -0.25 -0.29 0.15 -0.53 0.00 0.00 176.83 175.20 1x1m h PHE 49 N 0.01 -0.93 -0.30 2.24 3.57 0.86 -1.29 116.94 121.09 1x1m h PHE 49 Ca 0.37 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.99 1x1m h PHE 49 Cb 0.58 0.46 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 1x1m h PHE 49 CO -0.58 -0.21 -0.36 -0.07 -2.23 0.00 0.00 178.31 174.85 1x1m h LEU 50 N -0.07 -1.18 -0.93 0.59 3.38 -1.41 0.36 115.31 116.05 1x1m h LEU 50 Ca 0.06 0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.34 1x1m h LEU 50 Cb 0.24 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1x1m h LEU 50 CO -0.41 -0.36 0.90 0.11 0.09 0.00 0.00 178.44 178.77 1x1m h LYS 51 N -0.34 0.00 0.03 1.13 1.57 -0.79 0.50 116.57 118.67 1x1m h LYS 51 Ca 0.13 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.72 1x1m h LYS 51 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1x1m h LYS 51 CO -0.49 0.00 -1.03 1.96 -0.57 0.00 0.00 179.45 179.32 1x1m h GLN 52 N 0.00 0.06 0.64 3.15 4.20 0.33 -3.19 115.11 120.30 1x1m h GLN 52 Ca 0.20 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1x1m h GLN 52 Cb 2.00 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.82 1x1m h GLN 52 CO -0.00 1.05 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.78 1x1m h LEU 53 N -0.81 -0.89 -0.64 1.46 4.07 0.43 0.32 115.31 119.26 1x1m h LEU 53 Ca -0.26 0.04 0.11 0.00 0.08 0.00 0.00 57.88 57.85 1x1m h LEU 53 Cb 1.36 0.25 -0.08 0.00 1.08 0.00 0.00 40.66 43.27 1x1m h LEU 53 CO -0.09 -0.58 0.22 0.40 -1.08 0.00 0.00 178.44 177.31 1x1m h ILE 54 N -0.93 0.72 -0.36 1.22 5.03 -1.39 0.16 117.51 121.96 1x1m h ILE 54 Ca -0.08 -0.13 -0.08 0.00 -0.12 0.00 0.00 64.86 64.44 1x1m h ILE 54 Cb 0.74 0.30 -0.02 0.00 -3.03 0.00 0.00 36.82 34.81 1x1m h ILE 54 CO 0.10 0.07 -0.13 0.00 -0.68 0.00 0.00 178.15 177.52 1x1m h ALA 55 N 1.46 1.10 0.00 1.87 0.00 -1.50 0.29 119.26 122.48 1x1m h ALA 55 Ca 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x1m h ALA 55 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1x1m h ALA 55 CO -0.35 0.56 0.00 0.78 0.00 0.00 0.00 179.25 180.24 1x1m h GLY 56 N 0.97 0.00 0.27 0.00 0.00 0.12 -2.76 103.07 101.67 1x1m h GLY 56 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.07 1x1m h GLY 56 CO 0.04 0.00 -2.23 0.28 0.00 0.00 0.00 176.54 174.63 1x1m n LYS 57 N -2.93 0.68 -1.03 4.80 4.76 0.41 -4.26 118.16 120.58 1x1m n LYS 57 Ca 0.03 0.12 -0.16 0.00 -2.87 0.00 0.00 58.31 55.43 1x1m n LYS 57 Cb 0.41 -1.60 0.19 0.00 -1.84 0.00 0.00 35.03 32.20 1x1m n LYS 57 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x1m n LEU 58 N -3.02 6.11 0.21 -0.35 4.77 0.97 -4.55 117.00 121.14 1x1m n LEU 58 Ca -0.33 -3.23 0.09 0.00 -0.03 0.00 0.00 56.01 52.51 1x1m n LEU 58 Cb 1.08 -0.78 0.47 0.00 -2.33 0.00 0.00 43.42 41.87 1x1m n LEU 58 CO 0.39 0.92 0.89 1.56 -1.33 0.00 0.00 177.39 179.82 1x1m h GLN 59 N 1.33 0.00 -0.30 3.23 1.08 -1.66 0.48 115.11 119.27 1x1m h GLN 59 Ca 0.47 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.57 1x1m h GLN 59 Cb 2.51 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.93 1x1m h GLN 59 CO 0.88 0.00 -0.21 1.05 -0.95 0.00 0.00 178.83 179.61 1x1m h GLU 60 N 0.00 0.56 0.00 1.46 4.11 -1.89 -3.37 114.58 115.45 1x1m h GLU 60 Ca 0.00 -0.20 -0.10 0.00 0.07 0.00 0.00 59.36 59.13 1x1m h GLU 60 Cb 0.65 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1x1m h GLU 60 CO 0.00 0.73 -1.35 0.43 0.07 0.00 0.00 179.01 178.89 1x1m n SER 61 N -4.14 2.36 -4.67 3.06 7.64 0.76 -4.99 113.62 113.64 1x1m n SER 61 Ca 0.00 0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.47 1x1m n SER 61 Cb 0.39 -0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 1x1m n SER 61 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x1m s VAL 62 N -2.12 4.28 -0.02 0.44 1.01 0.13 -4.95 120.40 119.18 1x1m s VAL 62 Ca -0.09 1.58 -0.25 0.00 0.00 0.00 0.00 61.98 63.22 1x1m s VAL 62 Cb 0.03 -4.02 -0.20 0.00 0.00 0.00 0.00 36.38 32.19 1x1m s VAL 62 CO 0.13 -0.07 1.23 1.55 0.00 0.00 0.00 175.10 177.94 1x1m h PRO 63 N 7.78 -0.06 -2.80 2.72 0.13 -1.86 -3.37 132.00 134.54 1x1m h PRO 63 Ca -0.30 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 1x1m h PRO 63 Cb 1.13 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 1x1m h PRO 63 CO 0.92 0.40 -0.03 -0.51 -0.23 0.00 0.00 178.00 178.56 1x1m s ASP 64 N -5.61 -0.38 0.35 1.44 1.01 -1.26 -5.04 116.67 107.18 1x1m s ASP 64 Ca -0.15 0.17 0.14 0.00 0.71 0.00 0.00 52.55 53.42 1x1m s ASP 64 Cb 0.02 0.45 0.66 0.00 1.01 0.00 0.00 42.92 45.06 1x1m s ASP 64 CO 0.64 -0.66 1.76 1.55 0.21 0.00 0.00 175.17 178.68 1x1m h PRO 65 N 3.01 0.00 0.00 8.23 0.13 -1.89 -2.96 132.00 138.52 1x1m h PRO 65 Ca -0.30 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.66 1x1m h PRO 65 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1x1m h PRO 65 CO 0.42 0.43 -0.92 0.93 -0.23 0.00 0.00 178.00 178.62 1x1m h GLU 66 N 0.00 0.00 -0.83 0.86 5.08 -1.97 -3.23 114.58 114.49 1x1m h GLU 66 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x1m h GLU 66 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1x1m h GLU 66 CO 0.06 0.67 0.00 1.28 -1.00 0.00 0.00 179.01 180.01 1x1m n LEU 67 N -3.22 2.85 -3.91 1.33 4.77 -1.12 -4.85 117.00 112.86 1x1m n LEU 67 Ca -0.02 -1.44 -0.09 0.00 -0.03 0.00 0.00 56.01 54.43 1x1m n LEU 67 Cb 0.86 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 1x1m n LEU 67 CO 0.44 0.40 -0.17 0.27 -1.33 0.00 0.00 177.39 177.00 1x1m s ILE 68 N -1.69 0.15 0.41 -0.08 -5.25 -1.21 -2.87 121.20 110.64 1x1m s ILE 68 Ca 0.21 -1.21 0.04 0.00 -0.99 0.00 0.00 60.65 58.70 1x1m s ILE 68 Cb 0.16 -1.19 -0.04 0.00 2.95 0.00 0.00 42.46 44.34 1x1m s ILE 68 CO 0.06 -0.67 0.05 -0.62 -1.79 0.00 0.00 174.94 171.98 1x1m s ASP 69 N -2.56 3.19 -0.02 4.36 -1.08 0.20 -4.82 116.67 115.93 1x1m s ASP 69 Ca 0.01 -1.52 0.08 0.00 -0.52 0.00 0.00 52.55 50.60 1x1m s ASP 69 Cb 0.03 0.15 -0.02 0.00 -1.46 0.00 0.00 42.92 41.62 1x1m s ASP 69 CO -0.08 -0.72 -0.26 -0.22 0.52 0.00 0.00 175.17 174.42 1x1m s LEU 70 N -3.65 2.07 -0.05 -1.34 2.96 -1.26 -1.86 118.68 115.55 1x1m s LEU 70 Ca 0.26 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1x1m s LEU 70 Cb 0.06 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.40 1x1m s LEU 70 CO 0.13 0.31 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.67 1x1m s ILE 71 N -0.57 1.42 0.01 6.68 -1.09 0.99 -2.12 121.20 126.52 1x1m s ILE 71 Ca 0.09 -0.70 -0.05 0.00 -2.23 0.00 0.00 60.65 57.76 1x1m s ILE 71 Cb -0.10 -1.22 -0.01 0.00 -1.58 0.00 0.00 42.46 39.55 1x1m s ILE 71 CO -0.00 0.41 0.08 -0.47 -1.23 0.00 0.00 174.94 173.72 1x1m s TYR 72 N 0.12 0.13 -1.61 3.97 5.04 0.68 -1.49 117.35 124.18 1x1m s TYR 72 Ca -0.06 -0.31 -0.19 0.00 -2.44 0.00 0.00 57.07 54.08 1x1m s TYR 72 Cb -0.12 -0.11 0.18 0.00 0.35 0.00 0.00 41.96 42.27 1x1m s TYR 72 CO 0.03 -0.26 0.58 0.00 -1.34 0.00 0.00 175.55 174.55 1x1m n GLY 74 N -1.09 -0.30 3.61 0.00 0.00 -1.26 -5.00 105.19 101.16 1x1m n GLY 74 Ca 0.09 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1x1m n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x1m s ARG 75 N -5.55 0.77 0.53 1.61 1.70 0.39 -5.16 118.95 113.24 1x1m s ARG 75 Ca 0.27 1.06 -0.21 0.00 -0.47 0.00 0.00 55.73 56.39 1x1m s ARG 75 Cb -0.12 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.50 1x1m s ARG 75 CO 0.34 -0.12 1.18 0.21 -1.08 0.00 0.00 175.30 175.84 1x1m s LYS 76 N 0.85 3.37 -0.20 3.89 2.36 -1.26 -0.23 119.74 128.52 1x1m s LYS 76 Ca -0.04 1.79 -0.03 0.00 -2.55 0.00 0.00 55.97 55.14 1x1m s LYS 76 Cb -0.05 -2.15 -0.01 0.00 -1.05 0.00 0.00 37.83 34.58 1x1m s LYS 76 CO -0.07 -0.87 -0.07 -0.51 1.55 0.00 0.00 175.35 175.38 1x1m s LEU 77 N -3.58 2.81 0.93 5.43 1.43 -0.90 -4.86 118.68 119.95 1x1m s LEU 77 Ca 0.71 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1x1m s LEU 77 Cb -0.29 -1.70 0.15 0.00 0.03 0.00 0.00 46.19 44.39 1x1m s LEU 77 CO 0.33 0.02 1.10 -0.54 0.23 0.00 0.00 176.35 177.49 1x1m s LYS 78 N 1.22 0.95 0.41 1.70 -0.14 -1.26 -4.67 119.74 117.95 1x1m s LYS 78 Ca 0.03 1.12 0.22 0.00 -1.36 0.00 0.00 55.97 55.97 1x1m s LYS 78 Cb -0.14 -1.75 0.40 0.00 -1.68 0.00 0.00 37.83 34.66 1x1m s LYS 78 CO -0.02 -2.54 1.61 0.38 -0.76 0.00 0.00 175.35 174.02 1x1m h ASP 79 N -1.78 0.00 1.20 2.83 2.03 -1.97 -3.06 116.42 115.66 1x1m h ASP 79 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1x1m h ASP 79 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1x1m h ASP 79 CO 0.49 0.16 -0.09 0.47 -1.03 0.00 0.00 179.24 179.24 1x1m n ASP 80 N -3.16 0.50 -4.92 4.15 9.92 -1.26 -4.03 116.55 117.75 1x1m n ASP 80 Ca 0.03 0.46 -0.27 0.00 -0.53 0.00 0.00 54.79 54.48 1x1m n ASP 80 Cb 0.56 -0.54 0.05 0.00 -0.64 0.00 0.00 41.12 40.55 1x1m n ASP 80 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1x1m s GLN 81 N -3.06 2.56 0.44 -1.24 -1.52 -1.16 -4.95 119.66 110.72 1x1m s GLN 81 Ca 0.11 -0.02 0.03 0.00 -1.95 0.00 0.00 55.36 53.53 1x1m s GLN 81 Cb 0.15 -2.17 -0.02 0.00 -0.22 0.00 0.00 33.01 30.75 1x1m s GLN 81 CO 0.59 -1.03 0.10 0.95 -0.25 0.00 0.00 175.29 175.66 1x1m s THR 82 N -3.19 0.71 0.14 -0.19 -4.23 -1.26 -1.91 115.64 105.72 1x1m s THR 82 Ca 0.58 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.93 1x1m s THR 82 Cb -0.11 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1x1m s THR 82 CO 0.46 0.00 1.72 -0.07 -0.54 0.00 0.00 174.62 176.19 1x1m h LEU 83 N 1.67 0.58 0.11 4.79 -0.00 -1.80 -3.15 115.31 117.50 1x1m h LEU 83 Ca -0.37 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.37 1x1m h LEU 83 Cb 1.28 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1x1m h LEU 83 CO 0.60 0.55 -0.05 -0.78 -0.00 0.00 0.00 178.44 178.75 1x1m h ASP 84 N 0.56 -0.13 -0.80 -0.43 1.82 -1.88 0.19 116.42 115.75 1x1m h ASP 84 Ca 0.15 -0.31 0.31 0.00 -0.39 0.00 0.00 57.03 56.79 1x1m h ASP 84 Cb 0.13 0.03 -0.15 0.00 0.68 0.00 0.00 39.33 40.02 1x1m h ASP 84 CO -0.02 0.26 0.32 0.33 -1.61 0.00 0.00 179.24 178.52 1x1m n PHE 85 N -4.98 0.83 -0.05 0.28 -0.00 -1.19 0.14 117.46 112.47 1x1m n PHE 85 Ca -0.09 0.95 -0.09 0.00 -0.00 0.00 0.00 57.45 58.23 1x1m n PHE 85 Cb 0.23 -1.30 -0.15 0.00 -0.00 0.00 0.00 39.48 38.26 1x1m n PHE 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1x1m n TYR 86 N -4.90 0.61 -0.89 -5.13 4.01 -1.18 -4.99 117.16 104.68 1x1m n TYR 86 Ca 0.27 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 1x1m n TYR 86 Cb 0.92 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 1x1m n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x1m n GLY 87 N 1.63 1.27 3.76 2.72 0.00 0.37 -5.06 105.19 109.88 1x1m n GLY 87 Ca -0.23 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 1x1m n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x1m s ILE 88 N -2.02 2.85 0.20 -0.61 1.01 -0.26 -4.99 121.20 117.39 1x1m s ILE 88 Ca 0.00 0.47 0.10 0.00 0.00 0.00 0.00 60.65 61.22 1x1m s ILE 88 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1x1m s ILE 88 CO 0.00 -0.17 -0.17 -1.10 0.00 0.00 0.00 174.94 173.50 1x1m s GLN 89 N -3.64 1.78 0.00 2.79 1.11 -1.26 -4.82 119.66 115.62 1x1m s GLN 89 Ca 0.73 -1.45 0.11 0.00 0.01 0.00 0.00 55.36 54.75 1x1m s GLN 89 Cb -0.26 -1.97 0.63 0.00 -1.01 0.00 0.00 33.01 30.40 1x1m s GLN 89 CO 0.36 0.40 1.07 -0.35 0.01 0.00 0.00 175.29 176.79 1x1m n PRO 90 N 0.01 0.49 -0.66 2.91 -0.04 -1.26 -2.46 135.00 133.99 1x1m n PRO 90 Ca -0.11 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.41 1x1m n PRO 90 Cb 0.56 -1.34 0.16 0.00 -0.04 0.00 0.00 33.50 32.84 1x1m n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1m n GLY 91 N -0.02 4.22 3.79 0.55 0.00 -1.26 -4.01 105.19 108.46 1x1m n GLY 91 Ca 0.08 -1.15 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1x1m n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1m s SER 92 N -2.88 4.70 -0.17 1.61 0.01 -1.03 -4.96 113.70 110.98 1x1m s SER 92 Ca 0.35 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.70 1x1m s SER 92 Cb 0.34 -0.55 0.02 0.00 0.21 0.00 0.00 66.02 66.04 1x1m s SER 92 CO -0.07 -0.56 -0.20 -0.89 0.41 0.00 0.00 173.24 171.94 1x1m s THR 93 N -2.53 2.03 -0.07 1.44 2.01 -1.26 -1.93 115.64 115.32 1x1m s THR 93 Ca 0.43 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.47 1x1m s THR 93 Cb 0.00 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1x1m s THR 93 CO 0.25 0.54 0.07 0.68 -0.69 0.00 0.00 174.62 175.47 1x1m s VAL 94 N 1.25 4.86 0.15 3.82 -7.23 -0.99 -4.86 120.40 117.41 1x1m s VAL 94 Ca 0.04 -0.13 0.04 0.00 -1.81 0.00 0.00 61.98 60.12 1x1m s VAL 94 Cb -0.13 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 1x1m s VAL 94 CO -0.12 0.54 0.16 -1.00 -0.31 0.00 0.00 175.10 174.37 1x1m s HIS 95 N -1.03 3.24 -0.11 2.82 3.76 -0.56 -1.26 115.29 122.15 1x1m s HIS 95 Ca 0.17 0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.10 1x1m s HIS 95 Cb -0.12 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.98 1x1m s HIS 95 CO 0.06 0.52 -0.07 0.08 -0.85 0.00 0.00 174.74 174.48 1x1m s VAL 96 N -1.70 3.61 -0.15 -0.90 1.01 -0.98 -0.01 120.40 121.28 1x1m s VAL 96 Ca 0.32 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1x1m s VAL 96 Cb -0.11 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.78 1x1m s VAL 96 CO 0.24 0.55 -0.13 -0.22 0.00 0.00 0.00 175.10 175.55 1x1m s LEU 97 N -0.19 1.72 0.81 3.92 1.98 -0.78 -3.09 118.68 123.06 1x1m s LEU 97 Ca 0.02 -0.53 -0.14 0.00 -2.89 0.00 0.00 54.13 50.59 1x1m s LEU 97 Cb -0.13 -1.15 0.02 0.00 0.66 0.00 0.00 46.19 45.59 1x1m s LEU 97 CO 0.03 -0.08 0.69 0.54 -1.89 0.00 0.00 176.35 175.64 1x1m n ARG 98 N 4.78 0.10 -1.54 1.98 1.74 -1.26 -0.63 116.66 121.83 1x1m n ARG 98 Ca -0.16 0.09 -0.47 0.00 -0.77 0.00 0.00 57.85 56.54 1x1m n ARG 98 Cb 0.49 -2.02 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 1x1m n ARG 98 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x1m n LYS 99 N -1.76 0.91 0.07 5.56 4.76 -1.14 -4.67 118.16 121.89 1x1m n LYS 99 Ca 0.10 0.32 -0.12 0.00 -2.87 0.00 0.00 58.31 55.74 1x1m n LYS 99 Cb 0.51 -1.64 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 1x1m n LYS 99 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1x1m h SER 100 N 2.18 -0.17 -3.06 4.39 0.87 -1.94 -3.45 113.55 112.37 1x1m h SER 100 Ca -0.38 -0.33 -0.57 0.00 -1.23 0.00 0.00 61.79 59.28 1x1m h SER 100 Cb 1.37 0.05 0.18 0.00 -0.44 0.00 0.00 62.40 63.55 1x1m h SER 100 CO 0.63 0.28 -0.41 1.87 -0.53 0.00 0.00 176.83 178.66 1x1m n TRP 101 N -4.98 -0.80 0.27 2.24 -0.00 -1.26 -4.93 117.44 107.98 1x1m n TRP 101 Ca -0.09 0.39 -0.11 0.00 -0.00 0.00 0.00 57.50 57.70 1x1m n TRP 101 Cb 0.25 -1.93 -0.05 0.00 -0.00 0.00 0.00 31.31 29.58 1x1m n TRP 101 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 1x1m h SER 102 N -0.04 -0.60 0.00 5.87 0.02 -2.03 -3.49 113.55 113.28 1x1m h SER 102 Ca -0.46 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1x1m h SER 102 Cb 1.38 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1x1m h SER 102 CO 0.45 -0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.39 1x1m n GLY 103 N -0.75 1.02 3.57 -3.77 0.00 -1.26 -5.07 105.19 98.93 1x1m n GLY 103 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1x1m n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1m s PRO 104 N 0.00 2.53 -0.25 1.61 0.04 -1.26 -4.91 135.00 132.76 1x1m s PRO 104 Ca 0.00 -0.60 -0.43 0.00 0.04 0.00 0.00 61.00 60.01 1x1m s PRO 104 Cb 0.00 -5.13 -0.19 0.00 0.04 0.00 0.00 34.50 29.23 1x1m s PRO 104 CO 0.00 -3.59 1.45 0.43 0.04 0.00 0.00 177.00 175.32 1x1m n SER 105 N 14.12 1.14 -3.98 6.66 7.64 -1.26 -4.91 113.62 133.03 1x1m n SER 105 Ca 0.42 1.15 -0.31 0.00 1.01 0.00 0.00 58.87 61.14 1x1m n SER 105 Cb 0.47 -0.98 -0.13 0.00 -1.01 0.00 0.00 64.21 62.56 1x1m n SER 105 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x1m s SER 106 N 1.96 4.51 0.00 6.43 0.01 -1.26 -5.24 113.70 120.10 1x1m s SER 106 Ca 0.97 -2.89 0.00 0.00 1.31 0.00 0.00 55.95 55.34 1x1m s SER 106 Cb -1.29 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 63.27 1x1m s SER 106 CO 0.68 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.67