#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 5.61 0.01 1.61 0.15 -1.26 -4.95 113.70 114.86 1x1m s SER 2 Ca 0.00 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.14 1x1m s SER 2 Cb 0.00 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 1x1m s SER 2 CO 0.00 -1.91 -0.02 -0.94 1.20 0.00 0.00 173.24 171.57 1x1m s SER 3 N 7.41 0.25 0.00 5.45 1.04 -1.26 -5.03 113.70 121.56 1x1m s SER 3 Ca 0.89 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1x1m s SER 3 Cb -0.26 0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1x1m s SER 3 CO 0.33 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.11 1x1m n GLY 4 N 2.68 0.00 3.46 7.32 0.00 -1.26 -5.12 105.19 112.26 1x1m n GLY 4 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 6.17 0.16 1.61 0.15 -1.26 -4.95 113.70 115.57 1x1m s SER 5 Ca 0.00 -0.87 -0.15 0.00 0.70 0.00 0.00 55.95 55.63 1x1m s SER 5 Cb 0.00 -2.21 0.03 0.00 -1.71 0.00 0.00 66.02 62.13 1x1m s SER 5 CO 0.00 -0.59 1.79 -1.28 1.20 0.00 0.00 173.24 174.37 1x1m h SER 6 N 8.73 0.53 -3.04 5.45 0.87 -2.07 -3.49 113.55 120.53 1x1m h SER 6 Ca -0.27 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1x1m h SER 6 Cb 1.11 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1x1m h SER 6 CO 0.81 0.42 0.00 0.61 -0.53 0.00 0.00 176.83 178.14 1x1m n GLY 7 N -1.12 0.18 2.57 5.77 0.00 -1.26 -5.12 105.19 106.21 1x1m n GLY 7 Ca 0.01 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 1x1m n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x1m n MET 8 N -1.24 0.00 -1.47 1.61 2.00 -1.26 -4.57 117.12 112.19 1x1m n MET 8 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 57.70 57.21 1x1m n MET 8 Cb 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 33.22 32.37 1x1m n MET 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1x1m n SER 9 N 1.85 2.26 -4.89 7.83 7.64 -1.26 -4.93 113.62 122.13 1x1m n SER 9 Ca 0.08 0.34 -0.29 0.00 1.01 0.00 0.00 58.87 60.01 1x1m n SER 9 Cb 0.32 -1.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 1x1m n SER 9 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1x1m s LEU 10 N 7.70 3.70 0.07 -3.43 2.96 -1.26 -5.09 118.68 123.33 1x1m s LEU 10 Ca 1.09 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 56.09 1x1m s LEU 10 Cb -0.76 -3.98 -0.04 0.00 0.50 0.00 0.00 46.19 41.90 1x1m s LEU 10 CO 0.46 -0.51 0.04 -0.55 -1.32 0.00 0.00 176.35 174.47 1x1m s SER 11 N -3.64 5.29 -0.13 3.68 0.15 -1.26 -5.04 113.70 112.74 1x1m s SER 11 Ca 0.50 -0.06 -0.25 0.00 0.70 0.00 0.00 55.95 56.83 1x1m s SER 11 Cb -0.10 -1.36 -0.26 0.00 -1.71 0.00 0.00 66.02 62.59 1x1m s SER 11 CO 0.39 0.19 0.67 0.44 1.20 0.00 0.00 173.24 176.13 1x1m h ASP 12 N 3.54 0.11 -3.37 5.45 5.19 -1.98 -3.45 116.42 121.91 1x1m h ASP 12 Ca -0.47 -0.89 -0.55 0.00 -0.62 0.00 0.00 57.03 54.49 1x1m h ASP 12 Cb 1.17 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.60 1x1m h ASP 12 CO 0.62 1.21 0.28 0.86 -3.12 0.00 0.00 179.24 179.09 1x1m s TRP 13 N -2.30 3.59 0.10 4.55 -0.11 -1.26 -5.05 118.94 118.45 1x1m s TRP 13 Ca -0.20 1.46 0.05 0.00 1.22 0.00 0.00 56.10 58.63 1x1m s TRP 13 Cb -0.00 -2.99 -0.03 0.00 -1.50 0.00 0.00 33.47 28.95 1x1m s TRP 13 CO 0.70 -0.02 -0.13 -3.38 -4.62 0.00 0.00 176.95 169.50 1x1m s HIS 14 N 1.15 1.26 0.04 5.86 -3.43 -1.26 -4.09 115.29 114.82 1x1m s HIS 14 Ca 0.44 -0.54 -0.05 0.00 -0.80 0.00 0.00 55.06 54.11 1x1m s HIS 14 Cb -0.19 -0.68 -0.01 0.00 -1.43 0.00 0.00 32.58 30.27 1x1m s HIS 14 CO 0.21 0.08 0.09 -1.17 -2.00 0.00 0.00 174.74 171.96 1x1m s LEU 15 N -2.18 1.84 0.03 5.38 2.96 -0.88 -2.96 118.68 122.87 1x1m s LEU 15 Ca 0.04 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1x1m s LEU 15 Cb -0.06 0.60 -0.04 0.00 0.50 0.00 0.00 46.19 47.18 1x1m s LEU 15 CO 0.02 -0.54 0.24 0.00 -1.32 0.00 0.00 176.35 174.75 1x1m s ALA 16 N -2.90 3.91 -0.04 5.97 0.00 -0.95 -1.50 121.76 126.25 1x1m s ALA 16 Ca -0.02 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1x1m s ALA 16 Cb 0.01 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1x1m s ALA 16 CO -0.06 0.72 -0.12 0.08 0.00 0.00 0.00 175.76 176.39 1x1m s VAL 17 N -1.39 1.01 -0.04 0.00 1.01 0.41 -2.93 120.40 118.48 1x1m s VAL 17 Ca 0.30 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1x1m s VAL 17 Cb -0.13 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1x1m s VAL 17 CO 0.20 0.31 -0.03 -0.54 0.00 0.00 0.00 175.10 175.04 1x1m s LYS 18 N 0.29 0.67 -0.39 2.72 -0.14 -1.03 -1.93 119.74 119.93 1x1m s LYS 18 Ca -0.06 -0.05 -0.29 0.00 -1.36 0.00 0.00 55.97 54.21 1x1m s LYS 18 Cb -0.11 -0.74 0.02 0.00 -1.68 0.00 0.00 37.83 35.32 1x1m s LYS 18 CO 0.02 -0.10 1.13 -1.17 -0.76 0.00 0.00 175.35 174.47 1x1m s LEU 19 N 0.96 3.78 0.28 3.17 2.96 -1.26 -1.80 118.68 126.77 1x1m s LEU 19 Ca -0.11 0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 54.57 1x1m s LEU 19 Cb -0.14 -3.55 0.39 0.00 0.50 0.00 0.00 46.19 43.40 1x1m s LEU 19 CO -0.00 -1.08 1.94 0.00 -1.32 0.00 0.00 176.35 175.89 1x1m h ALA 20 N 8.76 1.35 -0.42 5.97 0.00 -1.77 -2.00 119.26 131.16 1x1m h ALA 20 Ca -0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1x1m h ALA 20 Cb 1.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1x1m h ALA 20 CO 1.08 0.57 0.09 0.22 0.00 0.00 0.00 179.25 181.21 1x1m h ASP 21 N 1.14 0.58 -3.87 0.00 1.82 -1.91 -3.35 116.42 110.83 1x1m h ASP 21 Ca 0.30 -0.09 -0.62 0.00 -0.39 0.00 0.00 57.03 56.23 1x1m h ASP 21 Cb -0.09 -0.15 -0.40 0.00 0.68 0.00 0.00 39.33 39.37 1x1m h ASP 21 CO -0.06 0.59 -0.69 -1.10 -1.61 0.00 0.00 179.24 176.37 1x1m s GLN 22 N -5.14 1.56 0.13 0.28 -0.21 -0.76 -4.94 119.66 110.58 1x1m s GLN 22 Ca -0.08 -2.21 0.19 0.00 0.02 0.00 0.00 55.36 53.27 1x1m s GLN 22 Cb 0.16 -2.78 0.79 0.00 1.00 0.00 0.00 33.01 32.18 1x1m s GLN 22 CO 0.77 -1.12 1.58 -0.35 -2.12 0.00 0.00 175.29 174.05 1x1m n PRO 23 N 3.46 0.10 -0.01 2.91 -0.04 -1.20 -2.42 135.00 137.80 1x1m n PRO 23 Ca 0.06 0.34 -0.04 0.00 -0.04 0.00 0.00 63.50 63.83 1x1m n PRO 23 Cb 0.34 -1.68 -0.12 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.87 0.65 -4.50 1.53 4.77 -1.26 -4.96 117.00 111.37 1x1m n LEU 24 Ca 0.03 0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.94 1x1m n LEU 24 Cb 0.20 0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1x1m n LEU 24 CO 0.16 0.27 0.16 0.00 -1.33 0.00 0.00 177.39 176.65 1x1m n ALA 25 N -2.50 -1.19 -1.60 -1.18 0.00 -1.02 -4.94 120.51 108.08 1x1m n ALA 25 Ca -0.16 -0.20 -0.34 0.00 0.00 0.00 0.00 53.44 52.75 1x1m n ALA 25 Cb 0.94 -1.90 0.03 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.77 2.99 0.61 0.00 0.04 -1.26 -4.90 135.00 129.71 1x1m s PRO 26 Ca 0.68 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 1x1m s PRO 26 Cb -0.36 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1x1m s PRO 26 CO 0.56 -1.11 1.06 0.21 0.04 0.00 0.00 177.00 177.75 1x1m s LYS 27 N -3.83 3.25 -0.07 4.56 2.20 -1.26 -4.83 119.74 119.76 1x1m s LYS 27 Ca 0.69 1.20 0.01 0.00 -0.36 0.00 0.00 55.97 57.50 1x1m s LYS 27 Cb -0.22 -2.02 0.02 0.00 -1.51 0.00 0.00 37.83 34.10 1x1m s LYS 27 CO 0.37 -0.86 -0.06 -1.12 -0.36 0.00 0.00 175.35 173.31 1x1m s SER 28 N -2.85 1.58 -0.27 1.43 0.01 -0.81 -4.97 113.70 107.81 1x1m s SER 28 Ca 0.63 -0.21 -0.19 0.00 1.31 0.00 0.00 55.95 57.50 1x1m s SER 28 Cb -0.16 -0.64 -0.02 0.00 0.21 0.00 0.00 66.02 65.41 1x1m s SER 28 CO 0.39 -0.08 0.56 -0.63 0.41 0.00 0.00 173.24 173.89 1x1m s ILE 29 N 1.25 5.02 -0.18 1.44 -1.09 -1.26 -0.44 121.20 125.94 1x1m s ILE 29 Ca -0.05 0.91 -0.08 0.00 -2.23 0.00 0.00 60.65 59.20 1x1m s ILE 29 Cb -0.14 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1x1m s ILE 29 CO -0.02 0.01 0.07 -0.22 -1.23 0.00 0.00 174.94 173.56 1x1m s LEU 30 N 2.41 3.90 -0.44 2.97 2.96 -0.56 -4.94 118.68 124.98 1x1m s LEU 30 Ca 0.23 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1x1m s LEU 30 Cb -0.15 -1.99 0.12 0.00 0.50 0.00 0.00 46.19 44.66 1x1m s LEU 30 CO 0.10 0.18 0.27 -1.10 -1.32 0.00 0.00 176.35 174.48 1x1m s GLN 31 N 0.31 2.21 0.62 1.98 -0.21 -1.26 -2.06 119.66 121.24 1x1m s GLN 31 Ca 0.04 -1.82 -0.17 0.00 0.02 0.00 0.00 55.36 53.44 1x1m s GLN 31 Cb -0.12 -3.73 -0.02 0.00 1.00 0.00 0.00 33.01 30.14 1x1m s GLN 31 CO -0.00 -1.13 1.12 -0.48 -2.12 0.00 0.00 175.29 172.68 1x1m s LEU 32 N 1.20 3.52 0.93 2.90 0.05 -1.26 -5.02 118.68 120.99 1x1m s LEU 32 Ca 0.07 2.06 -0.12 0.00 0.05 0.00 0.00 54.13 56.20 1x1m s LEU 32 Cb -0.24 -4.56 0.15 0.00 -2.05 0.00 0.00 46.19 39.48 1x1m s LEU 32 CO -0.03 -1.47 1.09 -2.16 -0.55 0.00 0.00 176.35 173.23 1x1m s PRO 33 N -3.81 1.01 1.02 1.48 0.04 -1.26 -4.80 135.00 128.68 1x1m s PRO 33 Ca 0.69 0.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.31 1x1m s PRO 33 Cb -0.22 -1.79 0.20 0.00 0.04 0.00 0.00 34.50 32.74 1x1m s PRO 33 CO 0.36 -2.39 1.16 -1.21 0.04 0.00 0.00 177.00 174.96 1x1m s GLU 34 N -4.94 0.24 -0.05 4.56 8.01 -1.26 -5.06 118.70 120.19 1x1m s GLU 34 Ca 0.64 0.06 0.04 0.00 0.01 0.00 0.00 54.97 55.71 1x1m s GLU 34 Cb -0.18 -1.76 -0.02 0.00 -4.31 0.00 0.00 34.13 27.86 1x1m s GLU 34 CO 0.57 -2.76 -0.16 0.95 0.01 0.00 0.00 175.26 173.87 1x1m s THR 35 N -3.29 2.92 0.45 3.63 -4.23 -1.26 -5.01 115.64 108.85 1x1m s THR 35 Ca 0.68 -0.77 0.12 0.00 -1.18 0.00 0.00 61.69 60.54 1x1m s THR 35 Cb -0.11 -2.14 0.24 0.00 1.34 0.00 0.00 72.50 71.83 1x1m s THR 35 CO 0.54 0.58 2.06 1.05 -0.54 0.00 0.00 174.62 178.32 1x1m h GLU 36 N 5.50 0.23 0.73 3.99 4.11 -2.03 -3.00 114.58 124.10 1x1m h GLU 36 Ca -0.44 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 58.94 1x1m h GLU 36 Cb 1.15 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1x1m h GLU 36 CO 0.50 0.20 -0.50 -0.07 0.07 0.00 0.00 179.01 179.21 1x1m h LEU 37 N 0.23 -1.30 0.00 3.06 -0.00 -2.00 -3.49 115.31 111.81 1x1m h LEU 37 Ca 0.06 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1x1m h LEU 37 Cb 0.07 0.39 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1x1m h LEU 37 CO -0.01 -0.74 0.00 0.61 -0.00 0.00 0.00 178.44 178.30 1x1m n GLY 38 N -1.62 0.48 0.20 0.83 0.00 -1.13 -4.98 105.19 98.97 1x1m n GLY 38 Ca -0.14 -1.07 0.02 0.00 0.00 0.00 0.00 46.02 44.83 1x1m n GLY 38 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x1m h GLU 39 N 0.00 0.08 -4.98 1.61 4.11 -1.94 -3.42 114.58 110.04 1x1m h GLU 39 Ca 0.00 -0.03 -0.48 0.00 0.07 0.00 0.00 59.36 58.93 1x1m h GLU 39 Cb 0.00 -0.01 0.17 0.00 0.50 0.00 0.00 28.75 29.42 1x1m h GLU 39 CO 0.00 0.38 -1.23 2.48 0.07 0.00 0.00 179.01 180.71 1x1m n TYR 40 N -4.15 -3.29 -0.99 2.06 4.11 -1.26 -4.37 117.16 109.27 1x1m n TYR 40 Ca -0.02 0.19 -0.45 0.00 -0.00 0.00 0.00 57.90 57.63 1x1m n TYR 40 Cb 0.37 -1.30 -0.08 0.00 -0.00 0.00 0.00 39.34 38.33 1x1m n TYR 40 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1x1m n SER 41 N 2.46 0.62 -0.03 9.48 7.64 -1.26 -4.78 113.62 127.75 1x1m n SER 41 Ca 0.03 0.58 -0.01 0.00 1.01 0.00 0.00 58.87 60.48 1x1m n SER 41 Cb 0.42 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 1x1m n SER 41 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x1m n LEU 42 N 4.79 -0.07 -2.81 -3.43 4.77 -1.26 -4.82 117.00 114.16 1x1m n LEU 42 Ca 0.35 0.83 -0.25 0.00 -0.03 0.00 0.00 56.01 56.91 1x1m n LEU 42 Cb -0.03 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1x1m n LEU 42 CO 0.64 -0.45 -0.24 0.61 -1.33 0.00 0.00 177.39 176.62 1x1m n GLY 43 N -1.02 0.12 0.00 -0.72 0.00 -1.26 -4.65 105.19 97.67 1x1m n GLY 43 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 0.07 0.44 3.64 -0.02 0.00 -1.26 -4.92 105.19 103.13 1x1m n GLY 44 Ca -0.06 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 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 1.85 -3.12 1.61 4.01 -1.26 -4.81 117.16 115.44 1x1m n TYR 45 Ca 0.00 0.54 -0.40 0.00 -0.16 0.00 0.00 57.90 57.88 1x1m n TYR 45 Cb 0.00 -2.39 -0.05 0.00 -0.31 0.00 0.00 39.34 36.59 1x1m n TYR 45 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1x1m s SER 46 N 0.05 6.78 0.33 7.72 1.04 -1.26 -2.19 113.70 126.17 1x1m s SER 46 Ca 0.67 0.95 0.23 0.00 0.48 0.00 0.00 55.95 58.27 1x1m s SER 46 Cb -0.70 -2.36 1.14 0.00 0.10 0.00 0.00 66.02 64.20 1x1m s SER 46 CO 0.53 -0.18 1.24 -0.38 0.98 0.00 0.00 173.24 175.42 1x1m n ILE 47 N 4.24 -0.24 -0.10 -1.02 2.08 -0.83 0.80 119.36 124.29 1x1m n ILE 47 Ca -0.02 1.48 -0.07 0.00 0.56 0.00 0.00 62.75 64.70 1x1m n ILE 47 Cb 0.50 -2.42 -0.00 0.00 -0.75 0.00 0.00 39.64 36.97 1x1m n ILE 47 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1x1m h SER 48 N 0.00 -0.86 -0.48 4.38 4.64 -1.81 -2.22 113.55 117.20 1x1m h SER 48 Ca 0.69 0.17 0.05 0.00 -0.47 0.00 0.00 61.79 62.22 1x1m h SER 48 Cb 2.09 0.42 -0.07 0.00 -0.31 0.00 0.00 62.40 64.52 1x1m h SER 48 CO -0.45 -0.28 -0.45 0.15 -0.87 0.00 0.00 176.83 174.93 1x1m h PHE 49 N -0.21 -1.39 -0.38 4.77 3.57 0.00 -1.64 116.94 121.66 1x1m h PHE 49 Ca 0.18 0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.82 1x1m h PHE 49 Cb 0.48 0.67 -0.09 0.00 2.79 0.00 0.00 35.95 39.81 1x1m h PHE 49 CO -0.47 -0.35 -0.46 -0.07 -2.23 0.00 0.00 178.31 174.73 1x1m h LEU 50 N -0.21 -1.53 -0.92 0.59 3.38 -1.54 0.53 115.31 115.62 1x1m h LEU 50 Ca 0.08 0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.41 1x1m h LEU 50 Cb 0.42 0.65 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1x1m h LEU 50 CO -0.56 -0.39 0.95 0.11 0.09 0.00 0.00 178.44 178.64 1x1m h LYS 51 N -0.37 0.00 0.00 1.13 1.57 -0.73 0.35 116.57 118.52 1x1m h LYS 51 Ca 0.12 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.69 1x1m h LYS 51 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1x1m h LYS 51 CO -0.56 0.00 -1.14 1.96 -0.57 0.00 0.00 179.45 179.13 1x1m h GLN 52 N 0.00 0.00 -0.06 3.15 4.20 0.44 -3.19 115.11 119.65 1x1m h GLN 52 Ca 0.23 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.98 1x1m h GLN 52 Cb 2.12 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.85 1x1m h GLN 52 CO -0.00 0.97 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.77 1x1m h LEU 53 N -1.00 -0.87 0.23 1.46 4.07 0.60 0.21 115.31 120.01 1x1m h LEU 53 Ca -0.31 0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 1x1m h LEU 53 Cb 1.26 0.36 -0.01 0.00 1.08 0.00 0.00 40.66 43.35 1x1m h LEU 53 CO -0.19 -0.34 -0.18 0.40 -1.08 0.00 0.00 178.44 177.05 1x1m h ILE 54 N -0.40 0.62 -0.83 1.22 5.03 -1.44 -1.48 117.51 120.23 1x1m h ILE 54 Ca 0.08 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.97 1x1m h ILE 54 Cb 0.51 0.62 -0.06 0.00 -3.03 0.00 0.00 36.82 34.86 1x1m h ILE 54 CO -0.29 0.00 0.55 0.00 -0.68 0.00 0.00 178.15 177.73 1x1m h ALA 55 N 0.32 1.95 0.00 1.87 0.00 -1.47 0.38 119.26 122.32 1x1m h ALA 55 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1x1m h ALA 55 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1x1m h ALA 55 CO -0.01 -0.18 -0.44 0.78 0.00 0.00 0.00 179.25 179.40 1x1m h GLY 56 N 0.58 0.00 1.14 0.00 0.00 0.01 -2.31 103.07 102.49 1x1m h GLY 56 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.46 1x1m h GLY 56 CO -0.17 0.00 -1.60 0.50 0.00 0.00 0.00 176.54 175.27 1x1m h LYS 57 N 0.00 0.02 -0.89 4.80 1.79 0.17 -3.34 116.57 119.14 1x1m h LYS 57 Ca -0.00 -0.04 -0.43 0.00 -2.18 0.00 0.00 60.65 58.00 1x1m h LYS 57 Cb 0.96 0.02 -0.25 0.00 -1.58 0.00 0.00 32.23 31.37 1x1m h LYS 57 CO 0.06 0.64 0.51 1.28 -1.08 0.00 0.00 179.45 180.86 1x1m n LEU 58 N -3.13 6.37 0.20 2.94 4.77 0.11 -4.59 117.00 123.67 1x1m n LEU 58 Ca -0.15 -3.55 0.09 0.00 -0.03 0.00 0.00 56.01 52.38 1x1m n LEU 58 Cb 1.03 -0.80 0.51 0.00 -2.33 0.00 0.00 43.42 41.83 1x1m n LEU 58 CO 0.45 1.02 0.88 1.56 -1.33 0.00 0.00 177.39 179.98 1x1m h GLN 59 N 1.33 0.00 -0.24 3.23 4.20 -1.54 0.36 115.11 122.44 1x1m h GLN 59 Ca 0.53 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.16 1x1m h GLN 59 Cb 2.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.42 1x1m h GLN 59 CO 0.97 0.00 -0.18 1.05 -0.67 0.00 0.00 178.83 180.00 1x1m h GLU 60 N 0.00 0.43 0.00 1.46 4.11 -1.87 -3.36 114.58 115.34 1x1m h GLU 60 Ca 0.00 -0.13 -0.09 0.00 0.07 0.00 0.00 59.36 59.21 1x1m h GLU 60 Cb 0.52 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1x1m h GLU 60 CO 0.00 0.59 -1.33 0.43 0.07 0.00 0.00 179.01 178.78 1x1m n SER 61 N -4.18 2.62 -4.66 3.06 7.64 0.44 -4.99 113.62 113.55 1x1m n SER 61 Ca -0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1x1m n SER 61 Cb 0.34 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.41 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 -2.11 4.40 -0.02 0.44 1.01 0.97 -4.94 120.40 120.15 1x1m s VAL 62 Ca -0.08 1.69 -0.25 0.00 0.00 0.00 0.00 61.98 63.34 1x1m s VAL 62 Cb 0.02 -4.11 -0.20 0.00 0.00 0.00 0.00 36.38 32.10 1x1m s VAL 62 CO 0.12 -0.17 1.23 1.55 0.00 0.00 0.00 175.10 177.83 1x1m h PRO 63 N 8.00 -0.06 -2.96 2.72 0.13 -1.86 -3.38 132.00 134.60 1x1m h PRO 63 Ca -0.24 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.78 1x1m h PRO 63 Cb 1.09 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.03 1x1m h PRO 63 CO 0.98 0.41 -0.25 -0.51 -0.23 0.00 0.00 178.00 178.40 1x1m s ASP 64 N -5.61 -0.23 0.04 1.44 1.01 -1.26 -5.03 116.67 107.02 1x1m s ASP 64 Ca -0.15 0.16 0.15 0.00 0.71 0.00 0.00 52.55 53.42 1x1m s ASP 64 Cb 0.02 0.35 0.66 0.00 1.01 0.00 0.00 42.92 44.95 1x1m s ASP 64 CO 0.64 -0.44 1.49 -0.81 0.21 0.00 0.00 175.17 176.27 1x1m n PRO 65 N 1.35 0.03 -0.03 8.23 -0.04 -1.26 -2.38 135.00 140.91 1x1m n PRO 65 Ca -0.21 0.28 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1x1m n PRO 65 Cb 0.56 -1.55 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 1x1m n PRO 65 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x1m n GLU 66 N -1.60 0.65 -0.55 0.54 1.02 -1.26 -4.11 120.64 115.33 1x1m n GLU 66 Ca 0.03 0.05 0.04 0.00 -0.02 0.00 0.00 57.16 57.26 1x1m n GLU 66 Cb 0.17 -1.64 0.24 0.00 -0.02 0.00 0.00 31.44 30.20 1x1m n GLU 66 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1m n LEU 67 N -2.70 3.88 -4.17 -4.62 4.77 -1.00 -4.89 117.00 108.26 1x1m n LEU 67 Ca -0.17 -1.97 -0.12 0.00 -0.03 0.00 0.00 56.01 53.73 1x1m n LEU 67 Cb 0.90 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 1x1m n LEU 67 CO 0.44 0.48 -0.19 0.27 -1.33 0.00 0.00 177.39 177.06 1x1m s ILE 68 N -2.06 0.00 0.33 -0.08 -5.25 -1.22 -0.91 121.20 112.01 1x1m s ILE 68 Ca 0.33 -1.92 0.07 0.00 -0.99 0.00 0.00 60.65 58.14 1x1m s ILE 68 Cb 0.25 -2.45 -0.03 0.00 2.95 0.00 0.00 42.46 43.19 1x1m s ILE 68 CO 0.10 -0.01 0.25 0.47 -1.79 0.00 0.00 174.94 173.95 1x1m n ASP 69 N -0.28 -0.40 -4.17 4.36 8.00 0.61 -4.87 116.55 119.79 1x1m n ASP 69 Ca 0.01 -3.10 -0.26 0.00 0.71 0.00 0.00 54.79 52.15 1x1m n ASP 69 Cb 0.65 1.52 -0.16 0.00 -0.02 0.00 0.00 41.12 43.11 1x1m n ASP 69 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1x1m s LEU 70 N 0.00 1.99 -0.08 0.64 2.96 -1.26 -2.29 118.68 120.63 1x1m s LEU 70 Ca 0.36 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 1x1m s LEU 70 Cb 0.02 -1.00 -0.00 0.00 0.50 0.00 0.00 46.19 45.70 1x1m s LEU 70 CO 0.25 0.20 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.61 1x1m s ILE 71 N -0.23 2.03 -0.02 6.68 -1.09 0.14 -0.82 121.20 127.90 1x1m s ILE 71 Ca 0.02 -1.02 -0.04 0.00 -2.23 0.00 0.00 60.65 57.38 1x1m s ILE 71 Cb -0.10 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 39.05 1x1m s ILE 71 CO 0.01 0.56 0.09 -0.47 -1.23 0.00 0.00 174.94 173.89 1x1m s TYR 72 N 0.14 -0.02 -0.96 3.97 6.14 0.28 -1.16 117.35 125.73 1x1m s TYR 72 Ca -0.12 0.06 0.00 0.00 0.64 0.00 0.00 57.07 57.64 1x1m s TYR 72 Cb -0.16 -0.02 0.00 0.00 0.42 0.00 0.00 41.96 42.20 1x1m s TYR 72 CO 0.07 -0.13 0.00 0.00 0.64 0.00 0.00 175.55 176.13 1x1m n GLY 74 N -0.51 0.36 3.13 0.00 0.00 -1.26 -5.04 105.19 101.86 1x1m n GLY 74 Ca -0.11 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.52 0.27 0.09 1.61 1.70 0.25 -5.13 118.95 114.22 1x1m s ARG 75 Ca 0.00 0.54 -0.31 0.00 -0.47 0.00 0.00 55.73 55.50 1x1m s ARG 75 Cb 0.00 -0.03 -0.08 0.00 -0.57 0.00 0.00 34.95 34.27 1x1m s ARG 75 CO 0.00 -0.13 1.43 0.21 -1.08 0.00 0.00 175.30 175.73 1x1m s LYS 76 N 1.00 4.29 -0.35 3.89 2.36 -1.26 -0.56 119.74 129.11 1x1m s LYS 76 Ca -0.07 2.10 -0.18 0.00 -2.55 0.00 0.00 55.97 55.27 1x1m s LYS 76 Cb -0.08 -3.35 -0.00 0.00 -1.05 0.00 0.00 37.83 33.35 1x1m s LYS 76 CO -0.07 -0.51 0.49 -0.51 1.55 0.00 0.00 175.35 176.30 1x1m s LEU 77 N 1.54 4.39 1.31 5.43 1.43 0.00 -4.93 118.68 127.85 1x1m s LEU 77 Ca 0.66 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.46 1x1m s LEU 77 Cb -0.36 -2.55 0.33 0.00 0.03 0.00 0.00 46.19 43.64 1x1m s LEU 77 CO 0.30 -0.47 1.01 -1.59 0.23 0.00 0.00 176.35 175.82 1x1m s LYS 78 N 2.34 -2.04 0.00 1.70 -2.85 -1.26 -4.48 119.74 113.15 1x1m s LYS 78 Ca 0.17 0.16 0.17 0.00 -1.00 0.00 0.00 55.97 55.48 1x1m s LYS 78 Cb -0.16 -1.48 0.49 0.00 -2.06 0.00 0.00 37.83 34.62 1x1m s LYS 78 CO 0.13 -4.30 1.40 -0.40 0.10 0.00 0.00 175.35 172.29 1x1m n ASP 79 N -5.22 2.82 -0.64 0.03 5.75 -1.26 -3.81 116.55 114.22 1x1m n ASP 79 Ca 0.11 -1.98 0.09 0.00 -0.01 0.00 0.00 54.79 53.00 1x1m n ASP 79 Cb 0.59 -0.33 0.06 0.00 -1.03 0.00 0.00 41.12 40.40 1x1m n ASP 79 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1x1m n ASP 80 N 1.04 2.30 -4.97 -1.12 -0.08 -1.26 -4.34 116.55 108.11 1x1m n ASP 80 Ca 0.18 -1.65 -0.19 0.00 -1.51 0.00 0.00 54.79 51.62 1x1m n ASP 80 Cb 0.45 0.11 0.01 0.00 2.34 0.00 0.00 41.12 44.03 1x1m n ASP 80 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1x1m s GLN 81 N -1.60 2.62 0.08 -0.67 -1.52 -1.25 -5.00 119.66 112.31 1x1m s GLN 81 Ca 0.19 -1.44 0.06 0.00 -1.95 0.00 0.00 55.36 52.21 1x1m s GLN 81 Cb 0.15 -2.60 -0.03 0.00 -0.22 0.00 0.00 33.01 30.31 1x1m s GLN 81 CO 0.27 -0.39 -0.15 0.95 -0.25 0.00 0.00 175.29 175.72 1x1m s THR 82 N -2.47 1.23 0.32 -0.19 -4.23 -1.26 -1.96 115.64 107.07 1x1m s THR 82 Ca 0.53 -1.36 0.16 0.00 -1.18 0.00 0.00 61.69 59.84 1x1m s THR 82 Cb -0.07 -1.17 0.31 0.00 1.34 0.00 0.00 72.50 72.91 1x1m s THR 82 CO 0.32 -0.20 1.38 0.18 -0.54 0.00 0.00 174.62 175.76 1x1m n LEU 83 N 1.22 0.25 -0.04 4.79 7.99 -0.93 0.74 117.00 131.02 1x1m n LEU 83 Ca -0.21 1.45 -0.13 0.00 -0.01 0.00 0.00 56.01 57.11 1x1m n LEU 83 Cb 0.54 -0.68 -0.11 0.00 -0.11 0.00 0.00 43.42 43.06 1x1m n LEU 83 CO 0.22 -1.61 0.53 -0.78 -1.51 0.00 0.00 177.39 174.24 1x1m h ASP 84 N 0.00 0.02 -0.99 -1.43 3.58 -1.86 0.31 116.42 116.05 1x1m h ASP 84 Ca 0.71 -0.69 0.36 0.00 0.42 0.00 0.00 57.03 57.82 1x1m h ASP 84 Cb 1.83 -0.01 -0.17 0.00 1.72 0.00 0.00 39.33 42.71 1x1m h ASP 84 CO -0.69 0.71 0.42 0.15 -2.88 0.00 0.00 179.24 176.95 1x1m h PHE 85 N -0.67 0.64 0.00 0.28 3.04 -0.07 1.01 116.94 121.17 1x1m h PHE 85 Ca -0.00 0.05 -0.13 0.00 3.98 0.00 0.00 57.97 61.87 1x1m h PHE 85 Cb 0.71 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 1x1m h PHE 85 CO 0.17 -0.39 -1.27 1.88 -2.02 0.00 0.00 178.31 176.68 1x1m h TYR 86 N 0.08 0.00 0.00 0.41 0.05 -1.44 -3.48 116.97 112.59 1x1m h TYR 86 Ca 0.76 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.54 1x1m h TYR 86 Cb 1.86 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.60 1x1m h TYR 86 CO -0.13 0.44 0.00 0.41 -1.05 0.00 0.00 178.16 177.83 1x1m n GLY 87 N 1.34 0.98 3.72 3.88 0.00 0.35 -5.04 105.19 110.42 1x1m n GLY 87 Ca -0.07 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 3.70 0.16 -0.61 1.01 0.97 -4.98 121.20 119.44 1x1m s ILE 88 Ca 0.00 1.23 0.05 0.00 0.00 0.00 0.00 60.65 61.93 1x1m s ILE 88 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1x1m s ILE 88 CO 0.00 0.10 0.12 -1.10 0.00 0.00 0.00 174.94 174.06 1x1m s GLN 89 N 1.02 2.84 -0.97 2.79 -1.52 -1.26 -4.71 119.66 117.85 1x1m s GLN 89 Ca 0.61 -0.89 -0.24 0.00 -1.95 0.00 0.00 55.36 52.89 1x1m s GLN 89 Cb -0.33 -2.61 -0.06 0.00 -0.22 0.00 0.00 33.01 29.79 1x1m s GLN 89 CO 0.30 0.48 1.94 -1.25 -0.25 0.00 0.00 175.29 176.52 1x1m s PRO 90 N -3.06 2.54 0.00 2.91 0.04 -1.26 -2.54 135.00 133.63 1x1m s PRO 90 Ca 0.30 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1x1m s PRO 90 Cb -0.10 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.34 1x1m s PRO 90 CO 0.23 -3.52 0.00 0.41 0.04 0.00 0.00 177.00 174.16 1x1m n GLY 91 N 6.62 0.21 2.07 0.56 0.00 -1.16 -4.78 105.19 108.71 1x1m n GLY 91 Ca 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.26 1x1m n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1m n SER 92 N 0.00 -1.40 -4.08 1.61 3.41 -1.05 -4.61 113.62 107.49 1x1m n SER 92 Ca 0.00 -0.94 -0.26 0.00 -0.26 0.00 0.00 58.87 57.41 1x1m n SER 92 Cb 0.00 -0.59 -0.16 0.00 -0.26 0.00 0.00 64.21 63.20 1x1m n SER 92 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x1m s THR 93 N -2.23 1.32 -0.11 6.66 2.01 -1.26 -2.23 115.64 119.79 1x1m s THR 93 Ca 0.42 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.83 1x1m s THR 93 Cb -0.04 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.32 1x1m s THR 93 CO 0.32 0.39 -0.22 0.68 -0.69 0.00 0.00 174.62 175.09 1x1m s VAL 94 N 0.36 1.99 -0.06 3.82 -7.23 -1.15 -4.76 120.40 113.36 1x1m s VAL 94 Ca -0.10 -0.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.92 1x1m s VAL 94 Cb -0.14 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 1x1m s VAL 94 CO 0.03 0.54 0.51 -1.00 -0.31 0.00 0.00 175.10 174.88 1x1m s HIS 95 N 0.55 3.60 -0.17 2.82 3.76 -0.31 -2.46 115.29 123.09 1x1m s HIS 95 Ca -0.14 1.02 -0.12 0.00 -0.15 0.00 0.00 55.06 55.66 1x1m s HIS 95 Cb -0.17 -2.54 -0.05 0.00 1.11 0.00 0.00 32.58 30.94 1x1m s HIS 95 CO 0.04 0.30 0.24 0.08 -0.85 0.00 0.00 174.74 174.55 1x1m s VAL 96 N 0.11 5.34 -0.16 -0.90 1.01 -0.75 0.26 120.40 125.32 1x1m s VAL 96 Ca 0.28 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1x1m s VAL 96 Cb -0.16 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1x1m s VAL 96 CO 0.13 0.42 -0.14 -0.22 0.00 0.00 0.00 175.10 175.29 1x1m s LEU 97 N 0.35 1.78 0.22 3.92 1.98 -0.97 -2.17 118.68 123.79 1x1m s LEU 97 Ca 0.14 -0.54 -0.23 0.00 -2.89 0.00 0.00 54.13 50.61 1x1m s LEU 97 Cb -0.12 -1.21 -0.08 0.00 0.66 0.00 0.00 46.19 45.43 1x1m s LEU 97 CO 0.02 -0.06 0.78 0.00 -1.89 0.00 0.00 176.35 175.20 1x1m s ARG 98 N 1.46 4.44 -0.07 1.98 1.70 -1.26 -0.29 118.95 126.92 1x1m s ARG 98 Ca 0.04 1.07 -0.30 0.00 -0.47 0.00 0.00 55.73 56.07 1x1m s ARG 98 Cb -0.13 -3.02 -0.03 0.00 -0.57 0.00 0.00 34.95 31.19 1x1m s ARG 98 CO -0.11 0.45 1.27 0.15 -1.08 0.00 0.00 175.30 175.98 1x1m s LYS 99 N -1.65 4.31 -0.72 3.89 1.02 -0.08 -4.92 119.74 121.59 1x1m s LYS 99 Ca 0.41 1.75 -0.21 0.00 0.02 0.00 0.00 55.97 57.94 1x1m s LYS 99 Cb -0.20 -3.61 0.09 0.00 -0.52 0.00 0.00 37.83 33.59 1x1m s LYS 99 CO 0.24 -0.54 0.97 -1.12 -0.92 0.00 0.00 175.35 173.98 1x1m s SER 100 N 1.72 6.28 0.05 2.83 0.01 -1.26 -4.93 113.70 118.40 1x1m s SER 100 Ca 0.58 -1.30 -0.27 0.00 1.31 0.00 0.00 55.95 56.27 1x1m s SER 100 Cb -0.26 -2.40 0.09 0.00 0.21 0.00 0.00 66.02 63.66 1x1m s SER 100 CO 0.22 -1.31 0.85 0.86 0.41 0.00 0.00 173.24 174.26 1x1m s TRP 101 N 3.57 -0.34 1.16 2.43 -0.00 -1.26 -5.17 118.94 119.33 1x1m s TRP 101 Ca 0.23 0.17 -0.17 0.00 -0.00 0.00 0.00 56.10 56.33 1x1m s TRP 101 Cb -0.15 0.56 0.23 0.00 -0.00 0.00 0.00 33.47 34.11 1x1m s TRP 101 CO 0.05 -0.65 0.46 0.45 -0.00 0.00 0.00 176.95 177.26 1x1m n SER 102 N -0.30 -3.16 -4.21 5.86 2.88 -1.26 -4.97 113.62 108.45 1x1m n SER 102 Ca -0.10 -0.47 -0.35 0.00 -1.33 0.00 0.00 58.87 56.63 1x1m n SER 102 Cb 0.62 -0.88 -0.14 0.00 -0.75 0.00 0.00 64.21 63.06 1x1m n SER 102 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1m s GLY 103 N -2.27 1.70 0.30 0.46 0.00 -1.26 -4.96 107.32 101.28 1x1m s GLY 103 Ca 0.49 -1.56 0.25 0.00 0.00 0.00 0.00 44.72 43.89 1x1m s GLY 103 CO 0.46 0.60 1.75 -0.56 0.00 0.00 0.00 173.10 175.35 1x1m h PRO 104 N 8.05 0.00 -4.39 2.90 0.13 -2.06 -3.45 132.00 133.17 1x1m h PRO 104 Ca -0.28 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.26 1x1m h PRO 104 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1x1m h PRO 104 CO 0.57 0.00 0.84 0.43 -0.23 0.00 0.00 178.00 179.61 1x1m n SER 105 N -2.34 0.64 -4.82 1.44 7.64 -1.26 -4.86 113.62 110.05 1x1m n SER 105 Ca 0.02 0.60 -0.31 0.00 1.01 0.00 0.00 58.87 60.18 1x1m n SER 105 Cb 0.23 -0.65 0.03 0.00 -1.01 0.00 0.00 64.21 62.81 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 3.79 5.60 0.00 6.43 0.15 -1.26 -5.29 113.70 123.12 1x1m s SER 106 Ca 0.85 1.63 0.00 0.00 0.70 0.00 0.00 55.95 59.13 1x1m s SER 106 Cb -1.10 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 60.71 1x1m s SER 106 CO 0.51 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 174.27