#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1m h SER 2 N 0.00 -0.25 -0.46 1.61 0.87 -2.10 -1.97 113.55 111.24 1x1m h SER 2 Ca 0.00 0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 1x1m h SER 2 Cb 0.00 0.29 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 1x1m h SER 2 CO 0.00 -0.13 -0.54 -1.28 -0.53 0.00 0.00 176.83 174.35 1x1m h SER 3 N 0.14 -1.83 -0.39 6.23 0.87 -2.13 -3.48 113.55 112.96 1x1m h SER 3 Ca 0.37 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 1x1m h SER 3 Cb 0.63 0.76 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1x1m h SER 3 CO -0.58 -0.37 0.00 0.61 -0.53 0.00 0.00 176.83 175.96 1x1m n GLY 4 N -1.35 -1.11 3.36 5.77 0.00 -0.74 -4.90 105.19 106.22 1x1m n GLY 4 Ca -0.03 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1x1m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1m s SER 5 N -4.00 5.94 -0.02 1.61 0.15 -1.26 -5.05 113.70 111.07 1x1m s SER 5 Ca 0.00 -1.27 -0.00 0.00 0.70 0.00 0.00 55.95 55.38 1x1m s SER 5 Cb 0.00 -2.10 0.02 0.00 -1.71 0.00 0.00 66.02 62.23 1x1m s SER 5 CO 0.00 -0.55 0.03 -0.44 1.20 0.00 0.00 173.24 173.48 1x1m s SER 6 N 2.18 0.02 0.00 5.45 0.01 -1.26 -5.04 113.70 115.06 1x1m s SER 6 Ca 0.04 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1x1m s SER 6 Cb -0.22 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1x1m s SER 6 CO 0.06 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1x1m n GLY 7 N 3.72 1.22 3.57 3.44 0.00 -1.26 -5.14 105.19 110.75 1x1m n GLY 7 Ca -0.21 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 1x1m n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x1m s MET 8 N 0.00 -0.48 0.26 1.61 0.00 -1.26 -5.06 119.30 114.37 1x1m s MET 8 Ca 0.00 0.55 0.11 0.00 0.00 0.00 0.00 55.69 56.35 1x1m s MET 8 Cb 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 34.83 33.16 1x1m s MET 8 CO 0.00 -3.36 -0.13 -1.12 0.00 0.00 0.00 175.02 170.41 1x1m s SER 9 N -3.09 3.94 -0.09 -1.18 0.01 -1.26 -5.12 113.70 106.91 1x1m s SER 9 Ca 0.67 -0.86 -0.23 0.00 1.31 0.00 0.00 55.95 56.84 1x1m s SER 9 Cb -0.20 -0.50 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 1x1m s SER 9 CO 0.60 0.04 0.69 -0.76 0.41 0.00 0.00 173.24 174.22 1x1m s LEU 10 N -3.46 4.28 0.42 2.44 2.01 -1.26 -5.06 118.68 118.05 1x1m s LEU 10 Ca 0.29 1.13 0.01 0.00 0.01 0.00 0.00 54.13 55.57 1x1m s LEU 10 Cb -0.06 -3.05 -0.01 0.00 0.01 0.00 0.00 46.19 43.08 1x1m s LEU 10 CO 0.16 -0.15 0.63 -0.94 1.01 0.00 0.00 176.35 177.06 1x1m s SER 11 N 0.87 5.95 -0.17 2.29 1.04 -1.26 -5.05 113.70 117.37 1x1m s SER 11 Ca 0.36 0.30 -0.18 0.00 0.48 0.00 0.00 55.95 56.91 1x1m s SER 11 Cb -0.17 -1.64 -0.15 0.00 0.10 0.00 0.00 66.02 64.16 1x1m s SER 11 CO 0.16 -0.59 0.22 -0.78 0.98 0.00 0.00 173.24 173.23 1x1m h ASP 12 N 0.51 0.00 -2.46 7.02 3.58 -1.97 -3.46 116.42 119.64 1x1m h ASP 12 Ca -0.47 -0.44 -0.54 0.00 0.42 0.00 0.00 57.03 56.01 1x1m h ASP 12 Cb 1.24 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.33 1x1m h ASP 12 CO 0.58 1.12 1.11 1.87 -2.88 0.00 0.00 179.24 181.04 1x1m n TRP 13 N -4.55 2.59 -4.29 0.28 -0.00 -1.26 -4.99 117.44 105.23 1x1m n TRP 13 Ca -0.19 -0.15 -0.17 0.00 -0.00 0.00 0.00 57.50 57.00 1x1m n TRP 13 Cb 0.48 -2.73 -0.10 0.00 -0.00 0.00 0.00 31.31 28.95 1x1m n TRP 13 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 177.69 174.31 1x1m s HIS 14 N 2.86 1.48 0.01 5.87 -3.43 -1.26 -4.00 115.29 116.82 1x1m s HIS 14 Ca 0.83 -0.64 -0.13 0.00 -0.80 0.00 0.00 55.06 54.32 1x1m s HIS 14 Cb -0.49 -0.72 0.02 0.00 -1.43 0.00 0.00 32.58 29.95 1x1m s HIS 14 CO 0.38 0.21 0.27 -1.17 -2.00 0.00 0.00 174.74 172.43 1x1m s LEU 15 N -3.09 1.04 -0.08 5.38 2.96 -0.88 -3.08 118.68 120.93 1x1m s LEU 15 Ca 0.18 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.91 1x1m s LEU 15 Cb -0.00 1.17 -0.04 0.00 0.50 0.00 0.00 46.19 47.81 1x1m s LEU 15 CO 0.04 -0.51 0.18 0.00 -1.32 0.00 0.00 176.35 174.73 1x1m s ALA 16 N -1.92 3.89 -0.11 5.97 0.00 -0.75 -0.37 121.76 128.47 1x1m s ALA 16 Ca -0.10 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1x1m s ALA 16 Cb -0.03 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.12 1x1m s ALA 16 CO 0.00 0.65 -0.15 0.08 0.00 0.00 0.00 175.76 176.34 1x1m s VAL 17 N -1.13 1.47 -0.06 0.00 1.01 0.77 -1.67 120.40 120.80 1x1m s VAL 17 Ca 0.20 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1x1m s VAL 17 Cb -0.13 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1x1m s VAL 17 CO 0.09 0.44 -0.23 -0.54 0.00 0.00 0.00 175.10 174.86 1x1m s LYS 18 N 1.05 2.53 -0.51 2.72 -0.14 0.24 -1.35 119.74 124.29 1x1m s LYS 18 Ca -0.05 -0.86 -0.27 0.00 -1.36 0.00 0.00 55.97 53.42 1x1m s LYS 18 Cb -0.15 -2.21 0.03 0.00 -1.68 0.00 0.00 37.83 33.82 1x1m s LYS 18 CO -0.02 0.44 1.06 -1.17 -0.76 0.00 0.00 175.35 174.89 1x1m s LEU 19 N -0.29 3.76 0.37 3.17 2.96 -1.26 -2.12 118.68 125.28 1x1m s LEU 19 Ca 0.00 0.18 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 1x1m s LEU 19 Cb -0.13 -3.27 0.78 0.00 0.50 0.00 0.00 46.19 44.07 1x1m s LEU 19 CO 0.03 -1.24 1.97 0.00 -1.32 0.00 0.00 176.35 175.78 1x1m h ALA 20 N 9.27 1.74 0.00 5.97 0.00 -1.86 0.11 119.26 134.49 1x1m h ALA 20 Ca -0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1x1m h ALA 20 Cb 1.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x1m h ALA 20 CO 1.11 0.16 -0.21 0.22 0.00 0.00 0.00 179.25 180.53 1x1m h ASP 21 N 0.70 0.00 -3.01 0.00 3.58 -1.91 -3.36 116.42 112.42 1x1m h ASP 21 Ca 0.29 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 57.14 1x1m h ASP 21 Cb 0.25 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 40.91 1x1m h ASP 21 CO -0.09 0.21 -0.80 -1.10 -2.88 0.00 0.00 179.24 174.58 1x1m s GLN 22 N -4.00 1.04 0.00 0.28 -0.21 0.02 -4.96 119.66 111.83 1x1m s GLN 22 Ca -0.02 -1.85 0.15 0.00 0.02 0.00 0.00 55.36 53.65 1x1m s GLN 22 Cb 0.12 -1.91 0.68 0.00 1.00 0.00 0.00 33.01 32.90 1x1m s GLN 22 CO 0.63 -1.21 1.43 -0.35 -2.12 0.00 0.00 175.29 173.67 1x1m n PRO 23 N 3.54 0.11 -0.04 2.91 -0.04 -1.18 -2.36 135.00 137.94 1x1m n PRO 23 Ca 0.13 0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.73 1x1m n PRO 23 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 1x1m n PRO 23 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x1m n LEU 24 N -1.39 0.55 -4.69 1.53 4.77 -1.26 -4.95 117.00 111.56 1x1m n LEU 24 Ca 0.05 0.26 -0.38 0.00 -0.03 0.00 0.00 56.01 55.91 1x1m n LEU 24 Cb 0.14 0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1x1m n LEU 24 CO 0.12 0.36 0.80 0.00 -1.33 0.00 0.00 177.39 177.34 1x1m n ALA 25 N -2.57 0.94 -1.77 -1.18 0.00 -1.00 -4.94 120.51 109.99 1x1m n ALA 25 Ca -0.20 0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1x1m n ALA 25 Cb 1.02 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 1x1m n ALA 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x1m s PRO 26 N -2.99 4.46 0.31 0.00 0.04 -1.26 -4.85 135.00 130.71 1x1m s PRO 26 Ca 0.77 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.58 1x1m s PRO 26 Cb -0.41 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 30.91 1x1m s PRO 26 CO 0.45 -0.04 1.27 0.21 0.04 0.00 0.00 177.00 178.93 1x1m s LYS 27 N -1.63 4.42 0.20 4.56 2.36 -1.26 -4.89 119.74 123.50 1x1m s LYS 27 Ca 0.47 2.12 0.06 0.00 -2.55 0.00 0.00 55.97 56.08 1x1m s LYS 27 Cb -0.37 -3.10 -0.04 0.00 -1.05 0.00 0.00 37.83 33.27 1x1m s LYS 27 CO 0.48 -0.11 0.15 -1.12 1.55 0.00 0.00 175.35 176.30 1x1m s SER 28 N -0.50 5.46 -0.25 1.43 0.01 -0.46 -4.91 113.70 114.49 1x1m s SER 28 Ca 0.49 -0.20 -0.07 0.00 1.31 0.00 0.00 55.95 57.48 1x1m s SER 28 Cb -0.38 -1.39 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 1x1m s SER 28 CO 0.49 0.03 0.07 -0.63 0.41 0.00 0.00 173.24 173.61 1x1m s ILE 29 N -1.90 4.30 -0.29 1.44 -1.09 -1.26 -0.16 121.20 122.23 1x1m s ILE 29 Ca 0.31 -0.18 -0.08 0.00 -2.23 0.00 0.00 60.65 58.47 1x1m s ILE 29 Cb -0.09 -3.01 -0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1x1m s ILE 29 CO 0.24 0.35 0.12 -0.22 -1.23 0.00 0.00 174.94 174.19 1x1m s LEU 30 N 1.56 3.87 -0.48 2.97 2.96 0.50 -4.95 118.68 125.11 1x1m s LEU 30 Ca 0.06 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.38 1x1m s LEU 30 Cb -0.15 -1.96 0.10 0.00 0.50 0.00 0.00 46.19 44.68 1x1m s LEU 30 CO 0.03 -0.15 0.39 -1.10 -1.32 0.00 0.00 176.35 174.21 1x1m s GLN 31 N 1.59 2.80 0.59 1.98 1.11 -1.26 -2.07 119.66 124.40 1x1m s GLN 31 Ca 0.05 -1.58 -0.17 0.00 0.01 0.00 0.00 55.36 53.67 1x1m s GLN 31 Cb -0.16 -4.07 -0.03 0.00 -1.01 0.00 0.00 33.01 27.73 1x1m s GLN 31 CO 0.05 -1.14 1.10 -0.48 0.01 0.00 0.00 175.29 174.82 1x1m s LEU 32 N 1.52 3.57 1.11 2.90 0.05 -1.26 -4.94 118.68 121.64 1x1m s LEU 32 Ca 0.04 2.01 -0.16 0.00 0.05 0.00 0.00 54.13 56.07 1x1m s LEU 32 Cb -0.26 -4.56 0.24 0.00 -2.05 0.00 0.00 46.19 39.56 1x1m s LEU 32 CO 0.03 -1.32 1.10 -2.16 -0.55 0.00 0.00 176.35 173.45 1x1m s PRO 33 N -3.75 -0.45 0.56 1.48 0.04 -1.26 -4.76 135.00 126.86 1x1m s PRO 33 Ca 0.68 0.22 -0.08 0.00 0.04 0.00 0.00 61.00 61.86 1x1m s PRO 33 Cb -0.20 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1x1m s PRO 33 CO 0.34 -3.26 0.91 -2.00 0.04 0.00 0.00 177.00 173.03 1x1m s GLU 34 N -5.18 3.44 0.23 4.56 2.12 -1.26 -5.06 118.70 117.56 1x1m s GLU 34 Ca 0.68 0.39 0.11 0.00 0.36 0.00 0.00 54.97 56.51 1x1m s GLU 34 Cb -0.14 -2.23 -0.05 0.00 0.26 0.00 0.00 34.13 31.97 1x1m s GLU 34 CO 0.57 -0.45 -0.16 -0.08 -0.54 0.00 0.00 175.26 174.60 1x1m s THR 35 N -2.97 2.74 0.62 -1.70 -1.32 -1.26 -5.00 115.64 106.76 1x1m s THR 35 Ca 0.52 -2.07 0.27 0.00 -1.21 0.00 0.00 61.69 59.20 1x1m s THR 35 Cb -0.11 -2.39 0.33 0.00 -1.51 0.00 0.00 72.50 68.82 1x1m s THR 35 CO 0.49 -0.25 1.79 1.05 -2.21 0.00 0.00 174.62 175.48 1x1m h GLU 36 N 2.61 0.00 -7.81 7.08 9.09 -2.06 -3.41 114.58 120.08 1x1m h GLU 36 Ca -0.44 0.00 -0.44 0.00 0.05 0.00 0.00 59.36 58.54 1x1m h GLU 36 Cb 1.23 0.00 0.18 0.00 -1.65 0.00 0.00 28.75 28.51 1x1m h GLU 36 CO 0.55 0.00 0.39 -0.51 0.05 0.00 0.00 179.01 179.49 1x1m s LEU 37 N -6.64 2.46 0.00 3.06 2.01 -1.26 -5.08 118.68 113.24 1x1m s LEU 37 Ca -0.04 0.19 0.00 0.00 0.01 0.00 0.00 54.13 54.30 1x1m s LEU 37 Cb 0.12 -2.09 0.00 0.00 0.01 0.00 0.00 46.19 44.24 1x1m s LEU 37 CO 0.42 -3.12 0.00 0.61 1.01 0.00 0.00 176.35 175.27 1x1m n GLY 38 N -3.48 -1.58 0.03 -3.19 0.00 -1.26 -4.99 105.19 90.72 1x1m n GLY 38 Ca 0.17 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 1.18 -0.93 1.61 -0.00 -1.26 -4.74 120.64 116.50 1x1m n GLU 39 Ca 0.00 -0.06 -0.36 0.00 -0.00 0.00 0.00 57.16 56.73 1x1m n GLU 39 Cb 0.00 -1.32 0.07 0.00 -0.00 0.00 0.00 31.44 30.19 1x1m n GLU 39 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1x1m n TYR 40 N -2.21 -2.79 -0.97 -1.84 4.11 -1.26 -4.45 117.16 107.76 1x1m n TYR 40 Ca -0.11 0.28 -0.45 0.00 -0.00 0.00 0.00 57.90 57.62 1x1m n TYR 40 Cb 0.62 -1.48 -0.09 0.00 -0.00 0.00 0.00 39.34 38.40 1x1m n TYR 40 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1x1m n SER 41 N 2.15 0.59 -0.22 9.48 2.88 -1.26 -4.77 113.62 122.47 1x1m n SER 41 Ca -0.01 0.55 -0.06 0.00 -1.33 0.00 0.00 58.87 58.02 1x1m n SER 41 Cb 0.64 -0.67 -0.05 0.00 -0.75 0.00 0.00 64.21 63.38 1x1m n SER 41 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1m n LEU 42 N 5.29 -0.55 -4.00 2.46 4.77 -1.26 -4.81 117.00 118.90 1x1m n LEU 42 Ca 0.39 1.34 -0.37 0.00 -0.03 0.00 0.00 56.01 57.34 1x1m n LEU 42 Cb -0.03 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1x1m n LEU 42 CO 0.66 -0.96 -0.21 0.61 -1.33 0.00 0.00 177.39 176.16 1x1m n GLY 43 N -1.13 -0.66 0.00 -0.72 0.00 -1.26 -4.66 105.19 96.76 1x1m n GLY 43 Ca 0.01 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.06 0.01 3.50 -0.02 0.00 -1.26 -4.84 105.19 100.51 1x1m n GLY 44 Ca -0.17 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.27 -0.53 -4.79 1.61 4.02 -1.26 -4.84 117.16 111.10 1x1m n TYR 45 Ca 0.00 0.33 -0.33 0.00 -0.01 0.00 0.00 57.90 57.89 1x1m n TYR 45 Cb 0.00 -1.92 -0.15 0.00 -0.02 0.00 0.00 39.34 37.25 1x1m n TYR 45 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1x1m s SER 46 N -1.74 3.95 0.20 7.72 0.01 -1.26 -3.25 113.70 119.32 1x1m s SER 46 Ca 0.65 -0.34 -0.13 0.00 1.31 0.00 0.00 55.95 57.44 1x1m s SER 46 Cb -0.30 -1.60 0.25 0.00 0.21 0.00 0.00 66.02 64.58 1x1m s SER 46 CO 0.59 0.16 1.29 -0.38 0.41 0.00 0.00 173.24 175.31 1x1m n ILE 47 N 3.54 -0.42 -0.27 1.44 2.08 -1.19 0.13 119.36 124.67 1x1m n ILE 47 Ca -0.18 1.94 0.02 0.00 0.56 0.00 0.00 62.75 65.09 1x1m n ILE 47 Cb 0.53 -2.59 0.07 0.00 -0.75 0.00 0.00 39.64 36.89 1x1m n ILE 47 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1x1m n SER 48 N -5.26 -0.36 0.05 4.38 2.88 -1.26 0.41 113.62 114.46 1x1m n SER 48 Ca 0.10 1.26 -0.14 0.00 -1.33 0.00 0.00 58.87 58.76 1x1m n SER 48 Cb 0.35 -0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 63.40 1x1m n SER 48 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1x1m h PHE 49 N 0.00 -1.33 -0.40 0.66 3.57 -0.70 -2.29 116.94 116.45 1x1m h PHE 49 Ca 0.31 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.94 1x1m h PHE 49 Cb 0.49 0.58 -0.09 0.00 2.79 0.00 0.00 35.95 39.73 1x1m h PHE 49 CO -0.60 -0.52 -0.21 -0.07 -2.23 0.00 0.00 178.31 174.68 1x1m h LEU 50 N -0.59 -0.73 -1.21 0.59 3.38 -0.10 0.34 115.31 117.00 1x1m h LEU 50 Ca 0.04 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1x1m h LEU 50 Cb 0.68 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1x1m h LEU 50 CO -0.35 -0.24 0.79 0.11 0.09 0.00 0.00 178.44 178.84 1x1m h LYS 51 N -0.14 0.00 0.00 1.13 1.57 -0.72 0.28 116.57 118.69 1x1m h LYS 51 Ca 0.20 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1x1m h LYS 51 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1x1m h LYS 51 CO -0.49 0.00 -0.80 1.96 -0.57 0.00 0.00 179.45 179.55 1x1m h GLN 52 N 0.00 0.00 -0.22 3.15 4.20 -0.14 -3.17 115.11 118.93 1x1m h GLN 52 Ca 0.19 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.96 1x1m h GLN 52 Cb 1.77 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.48 1x1m h GLN 52 CO -0.00 0.55 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.30 1x1m h LEU 53 N -1.00 -1.10 -0.08 1.46 4.07 -0.35 0.16 115.31 118.46 1x1m h LEU 53 Ca -0.17 0.17 0.02 0.00 0.08 0.00 0.00 57.88 57.98 1x1m h LEU 53 Cb 0.89 0.48 -0.02 0.00 1.08 0.00 0.00 40.66 43.09 1x1m h LEU 53 CO -0.10 -0.36 -0.04 0.40 -1.08 0.00 0.00 178.44 177.26 1x1m h ILE 54 N -0.37 0.88 -0.06 1.22 5.03 -1.42 -1.01 117.51 121.79 1x1m h ILE 54 Ca 0.12 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.87 1x1m h ILE 54 Cb 0.56 0.88 -0.00 0.00 -3.03 0.00 0.00 36.82 35.23 1x1m h ILE 54 CO -0.43 0.00 0.10 0.00 -0.68 0.00 0.00 178.15 177.14 1x1m h ALA 55 N 1.06 1.44 0.00 1.87 0.00 -1.37 0.98 119.26 123.24 1x1m h ALA 55 Ca 0.05 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1x1m h ALA 55 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1x1m h ALA 55 CO -0.10 -0.13 -0.74 0.78 0.00 0.00 0.00 179.25 179.06 1x1m h GLY 56 N 0.00 0.00 0.76 0.00 0.00 0.62 -3.11 103.07 101.34 1x1m h GLY 56 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.02 1x1m h GLY 56 CO -0.00 0.00 -1.88 0.28 0.00 0.00 0.00 176.54 174.94 1x1m n LYS 57 N -3.16 0.70 -0.53 4.80 4.76 -0.10 -4.00 118.16 120.63 1x1m n LYS 57 Ca -0.01 0.27 0.01 0.00 -2.87 0.00 0.00 58.31 55.71 1x1m n LYS 57 Cb 0.77 -1.74 0.20 0.00 -1.84 0.00 0.00 35.03 32.43 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 -3.28 3.90 0.26 -0.35 4.77 0.15 -4.42 117.00 118.03 1x1m n LEU 58 Ca -0.25 -1.99 0.09 0.00 -0.03 0.00 0.00 56.01 53.82 1x1m n LEU 58 Cb 1.05 -0.62 0.50 0.00 -2.33 0.00 0.00 43.42 42.02 1x1m n LEU 58 CO 0.44 0.52 0.97 1.56 -1.33 0.00 0.00 177.39 179.55 1x1m h GLN 59 N 1.92 0.00 -0.47 3.23 1.08 -1.67 0.37 115.11 119.56 1x1m h GLN 59 Ca 0.06 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1x1m h GLN 59 Cb 1.46 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.86 1x1m h GLN 59 CO 0.34 0.00 0.10 1.05 -0.95 0.00 0.00 178.83 179.36 1x1m h GLU 60 N 0.00 0.72 0.00 1.46 4.11 -1.90 -3.36 114.58 115.60 1x1m h GLU 60 Ca 0.00 -0.14 -0.08 0.00 0.07 0.00 0.00 59.36 59.20 1x1m h GLU 60 Cb 0.87 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1x1m h GLU 60 CO 0.00 0.66 -1.30 0.43 0.07 0.00 0.00 179.01 178.87 1x1m n SER 61 N -4.29 2.15 -4.67 3.06 7.64 0.91 -4.99 113.62 113.43 1x1m n SER 61 Ca 0.03 0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 1x1m n SER 61 Cb 0.22 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 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 -2.10 4.10 -0.02 0.44 1.01 0.89 -4.94 120.40 119.78 1x1m s VAL 62 Ca -0.07 1.37 -0.25 0.00 0.00 0.00 0.00 61.98 63.02 1x1m s VAL 62 Cb 0.02 -3.88 -0.20 0.00 0.00 0.00 0.00 36.38 32.32 1x1m s VAL 62 CO 0.11 -0.08 1.23 1.55 0.00 0.00 0.00 175.10 177.90 1x1m h PRO 63 N 8.22 -0.06 -3.17 2.72 0.13 -1.86 -3.37 132.00 134.62 1x1m h PRO 63 Ca -0.31 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1x1m h PRO 63 Cb 1.13 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.12 1x1m h PRO 63 CO 0.94 0.41 -0.14 -0.51 -0.23 0.00 0.00 178.00 178.47 1x1m s ASP 64 N -5.61 -0.23 0.54 1.44 1.11 -1.26 -5.04 116.67 107.62 1x1m s ASP 64 Ca -0.15 -0.11 0.33 0.00 0.18 0.00 0.00 52.55 52.80 1x1m s ASP 64 Cb 0.02 0.41 1.37 0.00 1.07 0.00 0.00 42.92 45.79 1x1m s ASP 64 CO 0.64 -0.68 1.99 1.55 1.18 0.00 0.00 175.17 179.85 1x1m h PRO 65 N 2.96 0.00 0.00 8.23 0.13 -1.87 -2.87 132.00 138.58 1x1m h PRO 65 Ca -0.32 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.56 1x1m h PRO 65 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1x1m h PRO 65 CO 0.45 0.03 -1.45 0.93 -0.23 0.00 0.00 178.00 177.73 1x1m h GLU 66 N 0.00 0.00 -0.77 0.86 5.08 -1.96 -3.30 114.58 114.48 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 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x1m h GLU 66 CO 0.00 0.64 0.00 1.28 -1.00 0.00 0.00 179.01 179.93 1x1m n LEU 67 N -3.13 3.15 0.00 1.33 4.77 -1.09 -4.88 117.00 117.14 1x1m n LEU 67 Ca -0.11 -1.59 -0.11 0.00 -0.03 0.00 0.00 56.01 54.17 1x1m n LEU 67 Cb 1.00 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1x1m n LEU 67 CO 0.45 0.43 -0.06 2.30 -1.33 0.00 0.00 177.39 179.19 1x1m n ILE 68 N 0.31 0.00 -3.95 -0.08 -6.64 -1.20 -2.64 119.36 105.17 1x1m n ILE 68 Ca 0.13 -1.35 -0.08 0.00 -1.77 0.00 0.00 62.75 59.68 1x1m n ILE 68 Cb 0.67 0.67 -0.04 0.00 -1.44 0.00 0.00 39.64 39.50 1x1m n ILE 68 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 1x1m s ASP 69 N -2.29 -0.13 -0.08 7.28 1.01 0.93 -4.73 116.67 118.66 1x1m s ASP 69 Ca 0.22 -0.84 0.04 0.00 0.71 0.00 0.00 52.55 52.68 1x1m s ASP 69 Cb 0.01 0.64 -0.01 0.00 1.01 0.00 0.00 42.92 44.57 1x1m s ASP 69 CO 0.15 -1.23 -0.20 -0.22 0.21 0.00 0.00 175.17 173.89 1x1m s LEU 70 N -2.99 2.38 -0.12 1.23 2.96 -1.26 -1.71 118.68 119.16 1x1m s LEU 70 Ca 0.19 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1x1m s LEU 70 Cb -0.03 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.19 1x1m s LEU 70 CO 0.09 0.24 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.50 1x1m s ILE 71 N -0.13 2.12 -0.00 6.68 -1.09 0.15 -1.17 121.20 127.75 1x1m s ILE 71 Ca -0.03 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.41 1x1m s ILE 71 Cb -0.14 -1.82 -0.00 0.00 -1.58 0.00 0.00 42.46 38.92 1x1m s ILE 71 CO 0.04 0.55 -0.04 -0.47 -1.23 0.00 0.00 174.94 173.79 1x1m s TYR 72 N 0.51 0.33 -1.75 3.97 5.04 0.67 -0.85 117.35 125.27 1x1m s TYR 72 Ca -0.14 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.40 1x1m s TYR 72 Cb -0.17 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 41.93 1x1m s TYR 72 CO 0.05 -0.01 0.00 0.00 -1.34 0.00 0.00 175.55 174.25 1x1m n GLY 74 N -0.80 0.58 2.95 0.00 0.00 -1.26 -5.02 105.19 101.64 1x1m n GLY 74 Ca -0.22 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.61 0.10 0.82 1.61 1.70 0.33 -5.15 118.95 116.74 1x1m s ARG 75 Ca 0.00 0.14 -0.12 0.00 -0.47 0.00 0.00 55.73 55.28 1x1m s ARG 75 Cb 0.00 0.02 0.09 0.00 -0.57 0.00 0.00 34.95 34.49 1x1m s ARG 75 CO 0.00 -0.03 1.17 0.21 -1.08 0.00 0.00 175.30 175.57 1x1m s LYS 76 N 0.16 1.65 -0.18 3.89 2.20 -1.26 -0.24 119.74 125.97 1x1m s LYS 76 Ca -0.01 1.60 0.01 0.00 -0.36 0.00 0.00 55.97 57.21 1x1m s LYS 76 Cb -0.02 -1.79 0.02 0.00 -1.51 0.00 0.00 37.83 34.52 1x1m s LYS 76 CO -0.00 -2.17 -0.18 -0.51 -0.36 0.00 0.00 175.35 172.12 1x1m s LEU 77 N -5.89 2.22 0.86 5.43 1.43 -0.32 -4.77 118.68 117.64 1x1m s LEU 77 Ca 0.69 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1x1m s LEU 77 Cb -0.25 -1.51 0.11 0.00 0.03 0.00 0.00 46.19 44.57 1x1m s LEU 77 CO 0.52 0.00 1.09 -0.54 0.23 0.00 0.00 176.35 177.66 1x1m s LYS 78 N 1.27 1.55 0.00 1.70 1.02 -1.26 -4.64 119.74 119.38 1x1m s LYS 78 Ca 0.04 0.75 0.14 0.00 0.02 0.00 0.00 55.97 56.93 1x1m s LYS 78 Cb -0.13 -1.85 0.59 0.00 -0.52 0.00 0.00 37.83 35.92 1x1m s LYS 78 CO -0.11 -2.02 1.42 -0.40 -0.92 0.00 0.00 175.35 173.32 1x1m n ASP 79 N -3.72 1.15 -0.69 2.83 5.75 -1.26 -3.36 116.55 117.24 1x1m n ASP 79 Ca 0.07 -1.77 0.06 0.00 -0.01 0.00 0.00 54.79 53.14 1x1m n ASP 79 Cb 0.56 -0.10 0.17 0.00 -1.03 0.00 0.00 41.12 40.71 1x1m n ASP 79 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1x1m n ASP 80 N 0.04 3.04 -4.88 -1.12 8.00 -1.26 -4.44 116.55 115.93 1x1m n ASP 80 Ca 0.12 -2.07 -0.23 0.00 0.71 0.00 0.00 54.79 53.32 1x1m n ASP 80 Cb 0.22 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 1x1m n ASP 80 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x1m s GLN 81 N -1.12 2.38 0.21 -1.24 -1.52 -1.21 -5.05 119.66 112.11 1x1m s GLN 81 Ca 0.26 -1.76 0.05 0.00 -1.95 0.00 0.00 55.36 51.96 1x1m s GLN 81 Cb 0.14 -2.24 -0.05 0.00 -0.22 0.00 0.00 33.01 30.64 1x1m s GLN 81 CO 0.16 -0.37 -0.06 0.95 -0.25 0.00 0.00 175.29 175.72 1x1m s THR 82 N -2.61 1.26 0.38 -0.19 -4.23 -1.26 -3.20 115.64 105.80 1x1m s THR 82 Ca 0.43 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.91 1x1m s THR 82 Cb -0.02 -2.20 0.27 0.00 1.34 0.00 0.00 72.50 71.89 1x1m s THR 82 CO 0.25 -0.46 2.03 -0.07 -0.54 0.00 0.00 174.62 175.83 1x1m h LEU 83 N 2.53 0.60 -0.13 4.79 -0.00 -1.88 -1.89 115.31 119.34 1x1m h LEU 83 Ca -0.38 -0.01 -0.22 0.00 -0.00 0.00 0.00 57.88 57.27 1x1m h LEU 83 Cb 1.22 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 1x1m h LEU 83 CO 0.64 0.44 -0.99 -0.78 -0.00 0.00 0.00 178.44 177.75 1x1m h ASP 84 N 0.71 0.25 -0.46 -0.43 3.58 -1.88 0.97 116.42 119.16 1x1m h ASP 84 Ca 0.20 -0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.45 1x1m h ASP 84 Cb -0.06 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 1x1m h ASP 84 CO -0.04 1.09 0.25 0.15 -2.88 0.00 0.00 179.24 177.81 1x1m h PHE 85 N 0.08 0.46 0.02 0.28 3.04 -1.75 -2.81 116.94 116.26 1x1m h PHE 85 Ca -0.06 0.02 -0.25 0.00 3.98 0.00 0.00 57.97 61.66 1x1m h PHE 85 Cb 1.67 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 40.01 1x1m h PHE 85 CO 0.03 0.25 -1.32 1.88 -2.02 0.00 0.00 178.31 177.13 1x1m h TYR 86 N 0.50 0.08 0.00 0.41 0.05 -1.55 -3.49 116.97 112.97 1x1m h TYR 86 Ca 0.19 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1x1m h TYR 86 Cb 0.07 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 1x1m h TYR 86 CO -0.09 1.06 0.00 0.41 -1.05 0.00 0.00 178.16 178.50 1x1m n GLY 87 N 1.47 1.03 3.76 3.88 0.00 -0.47 -5.07 105.19 109.78 1x1m n GLY 87 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 2.50 0.15 -0.61 1.01 0.21 -4.99 121.20 117.48 1x1m s ILE 88 Ca 0.00 0.41 0.05 0.00 0.00 0.00 0.00 60.65 61.11 1x1m s ILE 88 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1x1m s ILE 88 CO 0.00 0.03 -0.12 -1.10 0.00 0.00 0.00 174.94 173.75 1x1m s GLN 89 N -2.58 1.10 -0.98 2.79 -0.21 -1.26 -4.72 119.66 113.80 1x1m s GLN 89 Ca 0.63 -1.43 -0.24 0.00 0.02 0.00 0.00 55.36 54.35 1x1m s GLN 89 Cb -0.37 -0.79 -0.06 0.00 1.00 0.00 0.00 33.01 32.80 1x1m s GLN 89 CO 0.46 0.12 1.94 -1.25 -2.12 0.00 0.00 175.29 174.44 1x1m s PRO 90 N -3.47 2.54 0.00 2.91 0.04 -1.26 -2.72 135.00 133.04 1x1m s PRO 90 Ca 0.16 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1x1m s PRO 90 Cb 0.00 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1x1m s PRO 90 CO 0.02 -3.54 0.00 0.41 0.04 0.00 0.00 177.00 173.94 1x1m n GLY 91 N 6.58 0.13 3.30 0.56 0.00 -1.18 -4.78 105.19 109.80 1x1m n GLY 91 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 1x1m n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1m n SER 92 N 0.00 -2.45 -3.85 1.61 7.64 -1.10 -4.63 113.62 110.83 1x1m n SER 92 Ca 0.00 -1.09 -0.21 0.00 1.01 0.00 0.00 58.87 58.58 1x1m n SER 92 Cb 0.00 -0.96 -0.17 0.00 -1.01 0.00 0.00 64.21 62.07 1x1m n SER 92 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x1m s THR 93 N -2.74 0.50 0.36 0.44 2.01 -1.26 -1.81 115.64 113.14 1x1m s THR 93 Ca 0.67 -0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.69 1x1m s THR 93 Cb -0.08 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 1x1m s THR 93 CO 0.53 0.24 0.43 0.68 -0.69 0.00 0.00 174.62 175.81 1x1m s VAL 94 N 1.27 3.60 -0.04 3.82 -7.23 -0.67 -4.83 120.40 116.31 1x1m s VAL 94 Ca -0.06 -1.12 0.05 0.00 -1.81 0.00 0.00 61.98 59.04 1x1m s VAL 94 Cb -0.14 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.56 1x1m s VAL 94 CO -0.02 -0.12 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.47 1x1m s HIS 95 N -2.27 1.81 -0.03 2.82 3.76 -0.03 -0.59 115.29 120.76 1x1m s HIS 95 Ca 0.46 -0.50 -0.17 0.00 -0.15 0.00 0.00 55.06 54.70 1x1m s HIS 95 Cb -0.08 -1.21 -0.05 0.00 1.11 0.00 0.00 32.58 32.35 1x1m s HIS 95 CO 0.30 -0.15 0.47 0.08 -0.85 0.00 0.00 174.74 174.58 1x1m s VAL 96 N -0.06 5.04 -0.07 -0.90 1.01 -0.90 0.31 120.40 124.83 1x1m s VAL 96 Ca -0.02 0.96 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1x1m s VAL 96 Cb -0.11 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1x1m s VAL 96 CO 0.02 0.47 -0.12 -0.22 0.00 0.00 0.00 175.10 175.25 1x1m s LEU 97 N -0.39 1.60 0.02 3.92 1.98 -0.70 -2.82 118.68 122.30 1x1m s LEU 97 Ca 0.26 -0.30 -0.28 0.00 -2.89 0.00 0.00 54.13 50.92 1x1m s LEU 97 Cb -0.17 -0.82 -0.04 0.00 0.66 0.00 0.00 46.19 45.82 1x1m s LEU 97 CO 0.13 0.02 0.87 -0.13 -1.89 0.00 0.00 176.35 175.35 1x1m s ARG 98 N 0.77 4.55 0.09 1.98 0.52 -1.26 -0.05 118.95 125.55 1x1m s ARG 98 Ca -0.13 1.25 -0.25 0.00 -0.52 0.00 0.00 55.73 56.08 1x1m s ARG 98 Cb -0.15 -3.42 -0.15 0.00 0.52 0.00 0.00 34.95 31.75 1x1m s ARG 98 CO 0.02 0.10 1.71 0.87 0.02 0.00 0.00 175.30 178.03 1x1m h LYS 99 N 6.27 -0.19 -3.70 3.54 1.57 -1.79 -3.47 116.57 118.79 1x1m h LYS 99 Ca -0.42 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.20 1x1m h LYS 99 Cb 1.21 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 1x1m h LYS 99 CO 0.73 -0.13 -0.02 0.45 -0.57 0.00 0.00 179.45 179.91 1x1m s SER 100 N -5.02 0.53 0.38 0.86 0.15 -1.26 -5.11 113.70 104.23 1x1m s SER 100 Ca -0.14 -1.32 -0.14 0.00 0.70 0.00 0.00 55.95 55.05 1x1m s SER 100 Cb 0.06 0.72 -0.08 0.00 -1.71 0.00 0.00 66.02 65.01 1x1m s SER 100 CO 0.65 -1.42 0.79 0.86 1.20 0.00 0.00 173.24 175.32 1x1m s TRP 101 N -2.89 3.41 0.03 3.44 -0.11 -1.26 -5.00 118.94 116.56 1x1m s TRP 101 Ca 0.25 1.21 -0.07 0.00 1.22 0.00 0.00 56.10 58.71 1x1m s TRP 101 Cb -0.02 -2.55 -0.02 0.00 -1.50 0.00 0.00 33.47 29.38 1x1m s TRP 101 CO 0.16 -0.03 1.11 1.03 -4.62 0.00 0.00 176.95 174.60 1x1m h SER 102 N 1.76 -0.41 0.00 5.86 0.87 -2.02 -3.47 113.55 116.14 1x1m h SER 102 Ca -0.48 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1x1m h SER 102 Cb 1.18 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1x1m h SER 102 CO 0.64 -0.07 0.00 0.61 -0.53 0.00 0.00 176.83 177.48 1x1m n GLY 103 N -1.07 -0.85 3.56 5.77 0.00 -1.26 -5.08 105.19 106.27 1x1m n GLY 103 Ca -0.00 0.41 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 2.55 0.02 1.61 0.04 -1.26 -4.93 135.00 133.03 1x1m s PRO 104 Ca 0.00 -0.41 -0.37 0.00 0.04 0.00 0.00 61.00 60.26 1x1m s PRO 104 Cb 0.00 -5.09 -0.16 0.00 0.04 0.00 0.00 34.50 29.29 1x1m s PRO 104 CO 0.00 -3.46 1.47 0.43 0.04 0.00 0.00 177.00 175.48 1x1m n SER 105 N 14.04 2.05 -3.47 6.66 7.64 -1.26 -4.95 113.62 134.33 1x1m n SER 105 Ca 0.41 1.10 0.01 0.00 1.01 0.00 0.00 58.87 61.39 1x1m n SER 105 Cb 0.47 -1.22 -0.04 0.00 -1.01 0.00 0.00 64.21 62.41 1x1m n SER 105 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x1m s SER 106 N 1.27 -0.72 0.00 6.43 0.15 -1.26 -5.24 113.70 114.33 1x1m s SER 106 Ca 0.87 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.51 1x1m s SER 106 Cb -0.93 1.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1x1m s SER 106 CO 0.49 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.40