#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1m n SER 2 N 0.00 1.91 -4.14 1.61 2.88 -1.26 -5.01 113.62 109.61 1x1m n SER 2 Ca 0.00 0.13 -0.31 0.00 -1.33 0.00 0.00 58.87 57.35 1x1m n SER 2 Cb 0.00 -0.56 0.15 0.00 -0.75 0.00 0.00 64.21 63.05 1x1m n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x1m n SER 3 N -3.70 -2.55 -3.80 -3.46 2.88 -1.26 -5.03 113.62 96.71 1x1m n SER 3 Ca -0.44 -0.16 0.03 0.00 -1.33 0.00 0.00 58.87 56.97 1x1m n SER 3 Cb 0.87 -0.87 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1x1m n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1m s GLY 4 N -1.76 -0.20 0.40 0.46 0.00 -1.26 -5.15 107.32 99.82 1x1m s GLY 4 Ca 0.51 0.20 -0.24 0.00 0.00 0.00 0.00 44.72 45.18 1x1m s GLY 4 CO 0.62 4.67 1.11 -0.56 0.00 0.00 0.00 173.10 178.93 1x1m s SER 5 N -3.66 6.61 0.26 1.64 0.01 -1.26 -5.05 113.70 112.26 1x1m s SER 5 Ca 0.27 2.19 -0.14 0.00 1.31 0.00 0.00 55.95 59.58 1x1m s SER 5 Cb 0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1x1m s SER 5 CO -0.02 -0.60 0.53 -0.44 0.41 0.00 0.00 173.24 173.12 1x1m s SER 6 N -1.36 -0.08 -0.13 2.44 0.01 -1.26 -5.04 113.70 108.28 1x1m s SER 6 Ca 0.58 -0.90 -0.03 0.00 1.31 0.00 0.00 55.95 56.91 1x1m s SER 6 Cb -0.26 0.62 -0.07 0.00 0.21 0.00 0.00 66.02 66.52 1x1m s SER 6 CO 0.33 -1.20 2.79 0.61 0.41 0.00 0.00 173.24 176.18 1x1m n GLY 7 N -0.41 3.26 3.68 3.44 0.00 -1.26 -4.88 105.19 109.03 1x1m n GLY 7 Ca -0.02 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.17 2.46 -0.25 1.61 1.00 -1.26 -5.09 119.30 117.61 1x1m s MET 8 Ca 0.42 -1.14 -0.28 0.00 0.00 0.00 0.00 55.69 54.69 1x1m s MET 8 Cb 0.23 -2.36 0.01 0.00 0.00 0.00 0.00 34.83 32.71 1x1m s MET 8 CO -0.04 0.44 0.98 -1.54 0.00 0.00 0.00 175.02 174.85 1x1m s SER 9 N -3.16 6.99 0.09 3.03 1.04 -1.26 -5.03 113.70 115.40 1x1m s SER 9 Ca 0.29 1.22 0.06 0.00 0.48 0.00 0.00 55.95 58.00 1x1m s SER 9 Cb -0.09 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 1x1m s SER 9 CO 0.20 -0.65 -0.16 -0.76 0.98 0.00 0.00 173.24 172.84 1x1m s LEU 10 N 3.15 2.31 -0.27 2.42 1.43 -1.26 -5.05 118.68 121.41 1x1m s LEU 10 Ca 0.41 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1x1m s LEU 10 Cb -0.15 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.46 1x1m s LEU 10 CO 0.08 -0.05 -0.01 -0.94 0.23 0.00 0.00 176.35 175.66 1x1m s SER 11 N -1.91 4.62 -0.40 2.29 1.04 -1.26 -4.95 113.70 113.13 1x1m s SER 11 Ca 0.02 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.62 1x1m s SER 11 Cb -0.09 -1.74 0.22 0.00 0.10 0.00 0.00 66.02 64.51 1x1m s SER 11 CO 0.03 -0.15 2.16 0.47 0.98 0.00 0.00 173.24 176.73 1x1m n ASP 12 N 4.74 6.68 -4.68 7.02 8.00 -1.26 -4.83 116.55 132.22 1x1m n ASP 12 Ca -0.16 -3.21 -0.43 0.00 0.71 0.00 0.00 54.79 51.71 1x1m n ASP 12 Cb 0.47 -1.08 -0.02 0.00 -0.02 0.00 0.00 41.12 40.47 1x1m n ASP 12 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1x1m s TRP 13 N -2.14 3.31 0.20 1.24 -0.11 -1.26 -5.03 118.94 115.14 1x1m s TRP 13 Ca 0.41 1.38 0.07 0.00 1.22 0.00 0.00 56.10 59.19 1x1m s TRP 13 Cb 0.31 -3.32 -0.05 0.00 -1.50 0.00 0.00 33.47 28.92 1x1m s TRP 13 CO -0.05 -0.80 -0.13 -3.38 -4.62 0.00 0.00 176.95 167.96 1x1m s HIS 14 N 2.39 1.64 0.08 5.86 -3.43 -1.26 -4.05 115.29 116.51 1x1m s HIS 14 Ca 0.51 -0.61 -0.07 0.00 -0.80 0.00 0.00 55.06 54.09 1x1m s HIS 14 Cb -0.21 -0.78 -0.01 0.00 -1.43 0.00 0.00 32.58 30.16 1x1m s HIS 14 CO 0.18 0.31 0.14 -1.17 -2.00 0.00 0.00 174.74 172.19 1x1m s LEU 15 N -3.30 1.68 0.01 5.38 2.96 -0.31 -4.32 118.68 120.78 1x1m s LEU 15 Ca 0.22 -0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1x1m s LEU 15 Cb 0.00 0.83 -0.04 0.00 0.50 0.00 0.00 46.19 47.48 1x1m s LEU 15 CO 0.06 -0.68 0.17 0.00 -1.32 0.00 0.00 176.35 174.58 1x1m s ALA 16 N -3.76 3.90 -0.11 5.97 0.00 -1.04 -0.23 121.76 126.49 1x1m s ALA 16 Ca 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1x1m s ALA 16 Cb 0.05 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.38 1x1m s ALA 16 CO -0.10 0.76 -0.12 0.08 0.00 0.00 0.00 175.76 176.38 1x1m s VAL 17 N -1.35 1.27 0.15 0.00 1.01 0.14 -2.35 120.40 119.27 1x1m s VAL 17 Ca 0.28 -0.48 0.11 0.00 0.00 0.00 0.00 61.98 61.89 1x1m s VAL 17 Cb -0.13 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1x1m s VAL 17 CO 0.20 0.40 -0.25 -0.54 0.00 0.00 0.00 175.10 174.91 1x1m s LYS 18 N 1.26 1.42 -0.46 2.72 -0.14 0.77 -0.24 119.74 125.07 1x1m s LYS 18 Ca -0.02 -1.40 -0.15 0.00 -1.36 0.00 0.00 55.97 53.03 1x1m s LYS 18 Cb -0.14 -1.84 0.06 0.00 -1.68 0.00 0.00 37.83 34.23 1x1m s LYS 18 CO -0.04 0.42 0.38 -1.17 -0.76 0.00 0.00 175.35 174.17 1x1m s LEU 19 N -2.27 5.47 0.30 3.17 2.96 -1.26 -1.68 118.68 125.36 1x1m s LEU 19 Ca 0.16 -1.20 0.03 0.00 -0.22 0.00 0.00 54.13 52.91 1x1m s LEU 19 Cb -0.09 -2.19 0.63 0.00 0.50 0.00 0.00 46.19 45.04 1x1m s LEU 19 CO 0.07 -0.60 1.85 0.00 -1.32 0.00 0.00 176.35 176.35 1x1m h ALA 20 N 8.73 1.60 -0.07 5.97 0.00 -1.78 0.68 119.26 134.38 1x1m h ALA 20 Ca -0.28 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1x1m h ALA 20 Cb 1.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1x1m h ALA 20 CO 0.84 0.15 -0.14 0.22 0.00 0.00 0.00 179.25 180.32 1x1m h ASP 21 N 0.91 0.10 -3.71 0.00 1.82 -1.93 -3.35 116.42 110.27 1x1m h ASP 21 Ca 0.48 -0.02 -0.62 0.00 -0.39 0.00 0.00 57.03 56.48 1x1m h ASP 21 Cb 0.54 -0.03 -0.40 0.00 0.68 0.00 0.00 39.33 40.12 1x1m h ASP 21 CO -0.25 0.26 -0.71 -1.10 -1.61 0.00 0.00 179.24 175.83 1x1m s GLN 22 N -4.72 1.41 0.00 0.28 -0.21 0.23 -4.95 119.66 111.70 1x1m s GLN 22 Ca -0.05 -2.03 0.14 0.00 0.02 0.00 0.00 55.36 53.45 1x1m s GLN 22 Cb 0.16 -2.65 0.63 0.00 1.00 0.00 0.00 33.01 32.15 1x1m s GLN 22 CO 0.71 -1.10 1.44 -0.35 -2.12 0.00 0.00 175.29 173.88 1x1m n PRO 23 N 3.69 0.04 -0.08 2.91 -0.04 -1.21 -2.60 135.00 137.71 1x1m n PRO 23 Ca 0.06 0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1x1m n PRO 23 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.46 1.16 -4.39 1.53 4.77 -1.26 -4.98 117.00 112.36 1x1m n LEU 24 Ca 0.04 0.09 -0.38 0.00 -0.03 0.00 0.00 56.01 55.73 1x1m n LEU 24 Cb 0.16 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1x1m n LEU 24 CO 0.13 0.61 -0.18 0.00 -1.33 0.00 0.00 177.39 176.62 1x1m n ALA 25 N -2.84 -1.80 -1.77 -1.18 0.00 -1.07 -4.91 120.51 106.93 1x1m n ALA 25 Ca -0.32 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 52.74 1x1m n ALA 25 Cb 1.08 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.71 3.40 0.30 0.00 0.04 -1.26 -4.87 135.00 130.90 1x1m s PRO 26 Ca 0.65 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 1x1m s PRO 26 Cb -0.47 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.93 1x1m s PRO 26 CO 0.58 -0.81 1.12 0.21 0.04 0.00 0.00 177.00 178.14 1x1m s LYS 27 N -3.22 4.56 0.24 4.56 2.36 -1.26 -4.83 119.74 122.15 1x1m s LYS 27 Ca 0.72 1.84 0.07 0.00 -2.55 0.00 0.00 55.97 56.04 1x1m s LYS 27 Cb -0.24 -3.12 -0.04 0.00 -1.05 0.00 0.00 37.83 33.38 1x1m s LYS 27 CO 0.28 0.13 0.19 -1.54 1.55 0.00 0.00 175.35 175.96 1x1m s SER 28 N -0.88 5.53 -0.19 1.43 1.04 0.67 -4.91 113.70 116.39 1x1m s SER 28 Ca 0.46 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.64 1x1m s SER 28 Cb -0.32 -1.42 -0.01 0.00 0.10 0.00 0.00 66.02 64.37 1x1m s SER 28 CO 0.42 -0.02 -0.08 -0.63 0.98 0.00 0.00 173.24 173.90 1x1m s ILE 29 N -2.06 3.18 -0.19 -1.02 -1.09 -1.26 0.23 121.20 118.99 1x1m s ILE 29 Ca 0.33 -0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 58.12 1x1m s ILE 29 Cb -0.08 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.36 1x1m s ILE 29 CO 0.25 0.47 -0.01 -0.22 -1.23 0.00 0.00 174.94 174.20 1x1m s LEU 30 N 1.09 3.27 -0.51 2.97 2.96 0.68 -4.96 118.68 124.17 1x1m s LEU 30 Ca 0.01 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1x1m s LEU 30 Cb -0.15 -1.82 0.13 0.00 0.50 0.00 0.00 46.19 44.86 1x1m s LEU 30 CO -0.01 0.09 0.31 -1.10 -1.32 0.00 0.00 176.35 174.32 1x1m s GLN 31 N 0.84 2.23 0.66 1.98 -0.21 -1.26 -1.16 119.66 122.74 1x1m s GLN 31 Ca 0.00 -2.23 -0.17 0.00 0.02 0.00 0.00 55.36 52.99 1x1m s GLN 31 Cb -0.14 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.27 1x1m s GLN 31 CO 0.02 -1.12 1.20 -0.48 -2.12 0.00 0.00 175.29 172.79 1x1m s LEU 32 N 0.43 3.47 0.66 2.90 0.05 -1.26 -4.99 118.68 119.95 1x1m s LEU 32 Ca 0.13 2.34 -0.15 0.00 0.05 0.00 0.00 54.13 56.51 1x1m s LEU 32 Cb -0.22 -4.59 0.00 0.00 -2.05 0.00 0.00 46.19 39.34 1x1m s LEU 32 CO -0.04 -1.92 1.11 -2.16 -0.55 0.00 0.00 176.35 172.79 1x1m s PRO 33 N -3.68 2.78 1.16 1.48 0.04 -1.26 -4.88 135.00 130.64 1x1m s PRO 33 Ca 0.75 1.37 -0.17 0.00 0.04 0.00 0.00 61.00 62.99 1x1m s PRO 33 Cb -0.29 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.48 1x1m s PRO 33 CO 0.40 -1.27 0.33 0.39 0.04 0.00 0.00 177.00 176.89 1x1m n GLU 34 N -2.48 -2.12 -4.33 4.56 1.02 -1.26 -5.05 120.64 110.98 1x1m n GLU 34 Ca 0.10 -0.60 -0.19 0.00 -0.02 0.00 0.00 57.16 56.45 1x1m n GLU 34 Cb 0.52 -1.82 -0.09 0.00 -0.02 0.00 0.00 31.44 30.03 1x1m n GLU 34 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1x1m s THR 35 N -2.26 0.26 -0.54 2.62 -1.32 -1.26 -5.04 115.64 108.10 1x1m s THR 35 Ca 0.59 -2.00 0.24 0.00 -1.21 0.00 0.00 61.69 59.31 1x1m s THR 35 Cb -0.15 -2.49 0.31 0.00 -1.51 0.00 0.00 72.50 68.66 1x1m s THR 35 CO 0.64 0.00 1.65 1.05 -2.21 0.00 0.00 174.62 175.74 1x1m h GLU 36 N 2.18 0.00 -7.54 7.08 4.11 -2.02 -3.46 114.58 114.92 1x1m h GLU 36 Ca -0.32 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.66 1x1m h GLU 36 Cb 1.25 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.62 1x1m h GLU 36 CO 0.49 0.00 0.31 -0.51 0.07 0.00 0.00 179.01 179.37 1x1m s LEU 37 N -5.59 2.78 0.00 3.06 2.01 -1.26 -5.09 118.68 114.59 1x1m s LEU 37 Ca 0.08 0.20 0.00 0.00 0.01 0.00 0.00 54.13 54.42 1x1m s LEU 37 Cb 0.08 -2.46 0.00 0.00 0.01 0.00 0.00 46.19 43.82 1x1m s LEU 37 CO 0.65 -2.25 0.00 0.61 1.01 0.00 0.00 176.35 176.37 1x1m n GLY 38 N -3.35 -2.41 0.02 -3.19 0.00 -1.26 -4.99 105.19 90.00 1x1m n GLY 38 Ca 0.13 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 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 2.97 -0.73 1.61 0.28 -1.26 -4.88 120.64 118.63 1x1m n GLU 39 Ca 0.00 -0.01 -0.28 0.00 -0.16 0.00 0.00 57.16 56.71 1x1m n GLU 39 Cb 0.00 -1.12 0.11 0.00 1.43 0.00 0.00 31.44 31.87 1x1m n GLU 39 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 1x1m n TYR 40 N -2.13 -1.61 -1.22 -1.84 0.18 -1.26 -4.44 117.16 104.84 1x1m n TYR 40 Ca -0.07 0.29 -0.43 0.00 1.88 0.00 0.00 57.90 59.57 1x1m n TYR 40 Cb 0.60 -1.45 -0.12 0.00 -0.38 0.00 0.00 39.34 37.99 1x1m n TYR 40 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1x1m n SER 41 N 0.19 0.42 -0.30 9.48 7.64 -1.26 -4.73 113.62 125.07 1x1m n SER 41 Ca 0.01 0.34 0.01 0.00 1.01 0.00 0.00 58.87 60.24 1x1m n SER 41 Cb 0.54 -0.80 0.06 0.00 -1.01 0.00 0.00 64.21 63.01 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 8.10 -0.44 -3.70 -3.43 4.77 -1.26 -4.79 117.00 116.24 1x1m n LEU 42 Ca 0.54 1.39 -0.25 0.00 -0.03 0.00 0.00 56.01 57.66 1x1m n LEU 42 Cb 0.00 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1x1m n LEU 42 CO 0.80 -1.28 -0.22 0.61 -1.33 0.00 0.00 177.39 175.98 1x1m n GLY 43 N -1.42 -1.09 0.00 -0.72 0.00 -1.26 -4.65 105.19 96.04 1x1m n GLY 43 Ca 0.10 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.57 0.01 3.75 -0.02 0.00 -1.26 -4.85 105.19 101.25 1x1m n GLY 44 Ca -0.26 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.14 2.68 -3.35 1.61 4.01 -1.26 -4.86 117.16 115.85 1x1m n TYR 45 Ca 0.00 0.46 -0.38 0.00 -0.16 0.00 0.00 57.90 57.82 1x1m n TYR 45 Cb 0.00 -2.47 -0.07 0.00 -0.31 0.00 0.00 39.34 36.50 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 -0.35 6.57 0.23 7.72 0.01 -1.26 -2.66 113.70 123.95 1x1m s SER 46 Ca 0.58 0.67 -0.06 0.00 1.31 0.00 0.00 55.95 58.46 1x1m s SER 46 Cb -0.48 -2.26 0.40 0.00 0.21 0.00 0.00 66.02 63.89 1x1m s SER 46 CO 0.60 -0.04 1.26 -0.38 0.41 0.00 0.00 173.24 175.09 1x1m n ILE 47 N 3.99 -0.34 -0.32 1.44 2.08 -1.16 0.62 119.36 125.67 1x1m n ILE 47 Ca -0.08 1.84 0.01 0.00 0.56 0.00 0.00 62.75 65.08 1x1m n ILE 47 Cb 0.51 -2.56 0.07 0.00 -0.75 0.00 0.00 39.64 36.91 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 -1.08 -0.34 4.38 0.87 -1.83 -1.45 113.55 114.11 1x1m h SER 48 Ca 0.40 0.27 0.03 0.00 -1.23 0.00 0.00 61.79 61.26 1x1m h SER 48 Cb 0.64 0.62 -0.04 0.00 -0.44 0.00 0.00 62.40 63.17 1x1m h SER 48 CO -0.82 -0.29 -0.24 0.15 -0.53 0.00 0.00 176.83 175.09 1x1m h PHE 49 N -0.03 -0.76 -0.46 2.24 3.57 -0.22 -1.42 116.94 119.86 1x1m h PHE 49 Ca 0.37 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.98 1x1m h PHE 49 Cb 0.61 0.38 -0.09 0.00 2.79 0.00 0.00 35.95 39.64 1x1m h PHE 49 CO -0.74 -0.17 -0.46 -0.07 -2.23 0.00 0.00 178.31 174.64 1x1m h LEU 50 N -0.05 -1.54 -0.94 0.59 3.38 -1.36 0.58 115.31 115.97 1x1m h LEU 50 Ca 0.05 0.23 0.19 0.00 0.09 0.00 0.00 57.88 58.44 1x1m h LEU 50 Cb 0.19 0.67 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1x1m h LEU 50 CO -0.34 -0.37 1.03 0.11 0.09 0.00 0.00 178.44 178.96 1x1m h LYS 51 N -0.32 0.00 0.01 1.13 1.57 -0.82 0.53 116.57 118.67 1x1m h LYS 51 Ca 0.13 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.71 1x1m h LYS 51 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1x1m h LYS 51 CO -0.61 0.00 -1.09 1.96 -0.57 0.00 0.00 179.45 179.14 1x1m h GLN 52 N 0.00 0.01 -0.89 3.15 4.20 0.65 -3.12 115.11 119.11 1x1m h GLN 52 Ca 0.31 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.01 1x1m h GLN 52 Cb 2.36 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 30.11 1x1m h GLN 52 CO -0.00 1.01 0.59 -0.07 -0.67 0.00 0.00 178.83 179.69 1x1m h LEU 53 N -0.96 1.00 0.40 1.46 4.07 0.66 -1.96 115.31 119.98 1x1m h LEU 53 Ca -0.30 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 1x1m h LEU 53 Cb 1.29 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1x1m h LEU 53 CO -0.17 0.71 -0.19 0.40 -1.08 0.00 0.00 178.44 178.12 1x1m h ILE 54 N 1.18 0.48 -0.97 1.22 2.04 -0.91 -2.08 117.51 118.47 1x1m h ILE 54 Ca 0.34 -0.57 0.26 0.00 1.00 0.00 0.00 64.86 65.89 1x1m h ILE 54 Cb -0.09 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1x1m h ILE 54 CO -0.08 0.09 0.67 0.00 0.00 0.00 0.00 178.15 178.83 1x1m h ALA 55 N -0.54 2.70 0.02 1.87 0.00 -1.46 0.33 119.26 122.18 1x1m h ALA 55 Ca -0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1x1m h ALA 55 Cb 0.55 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1x1m h ALA 55 CO 0.09 -0.99 -0.97 0.78 0.00 0.00 0.00 179.25 178.16 1x1m h GLY 56 N 0.13 0.11 1.95 0.00 0.00 -1.25 -3.07 103.07 100.94 1x1m h GLY 56 Ca 0.48 -0.25 -0.17 0.00 0.00 0.00 0.00 47.33 47.39 1x1m h GLY 56 CO -0.08 0.22 -0.85 0.50 0.00 0.00 0.00 176.54 176.33 1x1m h LYS 57 N 0.04 0.00 -0.94 4.80 1.79 0.23 -3.24 116.57 119.25 1x1m h LYS 57 Ca -0.04 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.96 1x1m h LYS 57 Cb 1.67 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 32.04 1x1m h LYS 57 CO 0.14 0.79 0.58 1.28 -1.08 0.00 0.00 179.45 181.16 1x1m n LEU 58 N -3.29 6.56 0.23 2.94 4.77 0.52 -4.60 117.00 124.13 1x1m n LEU 58 Ca 0.00 -3.58 0.09 0.00 -0.03 0.00 0.00 56.01 52.49 1x1m n LEU 58 Cb 0.87 -0.82 0.48 0.00 -2.33 0.00 0.00 43.42 41.61 1x1m n LEU 58 CO 0.45 1.04 0.92 1.56 -1.33 0.00 0.00 177.39 180.02 1x1m h GLN 59 N 1.18 0.00 -0.01 3.23 1.08 -1.57 1.00 115.11 120.02 1x1m h GLN 59 Ca 0.58 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.58 1x1m h GLN 59 Cb 2.77 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 30.19 1x1m h GLN 59 CO 1.04 0.00 -0.85 1.05 -0.95 0.00 0.00 178.83 179.11 1x1m h GLU 60 N 0.00 0.25 0.00 1.46 -0.00 -1.89 -3.40 114.58 110.99 1x1m h GLU 60 Ca 0.00 -0.26 -0.13 0.00 -0.00 0.00 0.00 59.36 58.97 1x1m h GLU 60 Cb 0.74 0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 29.54 1x1m h GLU 60 CO 0.00 0.96 -1.32 -1.13 -0.00 0.00 0.00 179.01 177.52 1x1m n SER 61 N -3.71 0.81 -4.58 3.06 3.41 0.19 -4.96 113.62 107.83 1x1m n SER 61 Ca -0.04 0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 1x1m n SER 61 Cb 0.79 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1x1m n SER 61 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1x1m s VAL 62 N -2.20 4.74 -0.02 -3.33 1.01 0.29 -4.95 120.40 115.94 1x1m s VAL 62 Ca -0.13 0.84 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 1x1m s VAL 62 Cb 0.04 -4.20 -0.19 0.00 0.00 0.00 0.00 36.38 32.03 1x1m s VAL 62 CO 0.17 -0.43 1.22 1.55 0.00 0.00 0.00 175.10 177.61 1x1m h PRO 63 N 8.49 -0.06 -3.82 2.72 0.13 -1.82 -3.30 132.00 134.34 1x1m h PRO 63 Ca -0.25 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.73 1x1m h PRO 63 Cb 1.09 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.04 1x1m h PRO 63 CO 0.91 0.40 -0.61 -0.51 -0.23 0.00 0.00 178.00 177.96 1x1m s ASP 64 N -5.60 0.18 0.45 1.44 1.01 -1.26 -4.97 116.67 107.91 1x1m s ASP 64 Ca -0.15 -0.44 0.24 0.00 0.71 0.00 0.00 52.55 52.91 1x1m s ASP 64 Cb 0.02 0.16 1.01 0.00 1.01 0.00 0.00 42.92 45.11 1x1m s ASP 64 CO 0.64 -0.37 1.87 1.55 0.21 0.00 0.00 175.17 179.08 1x1m h PRO 65 N 4.31 0.00 0.00 8.23 0.13 -1.89 -2.81 132.00 139.98 1x1m h PRO 65 Ca -0.32 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.69 1x1m h PRO 65 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1x1m h PRO 65 CO 0.43 0.23 -0.58 0.93 -0.23 0.00 0.00 178.00 178.78 1x1m h GLU 66 N 0.00 0.00 -0.71 0.86 5.08 -1.96 -3.10 114.58 114.75 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 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1x1m h GLU 66 CO 0.03 0.58 0.00 1.28 -1.00 0.00 0.00 179.01 179.90 1x1m n LEU 67 N -3.35 3.39 -4.13 1.33 4.77 -1.06 -4.89 117.00 113.07 1x1m n LEU 67 Ca 0.01 -1.72 -0.12 0.00 -0.03 0.00 0.00 56.01 54.15 1x1m n LEU 67 Cb 0.72 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1x1m n LEU 67 CO 0.41 0.48 -0.04 0.27 -1.33 0.00 0.00 177.39 177.18 1x1m s ILE 68 N -1.89 0.00 0.05 -0.08 -5.25 -1.17 -2.42 121.20 110.44 1x1m s ILE 68 Ca 0.30 -1.75 0.02 0.00 -0.99 0.00 0.00 60.65 58.22 1x1m s ILE 68 Cb 0.22 -2.43 -0.03 0.00 2.95 0.00 0.00 42.46 43.17 1x1m s ILE 68 CO 0.11 0.00 -0.07 -1.81 -1.79 0.00 0.00 174.94 171.38 1x1m s ASP 69 N -3.14 0.87 -0.21 4.36 1.01 0.26 -4.86 116.67 114.95 1x1m s ASP 69 Ca 0.33 -0.66 -0.08 0.00 0.71 0.00 0.00 52.55 52.84 1x1m s ASP 69 Cb 0.03 0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.98 1x1m s ASP 69 CO 0.14 -0.28 0.08 -0.22 0.21 0.00 0.00 175.17 175.09 1x1m s LEU 70 N -1.95 3.75 -0.08 1.23 2.96 -1.26 -0.97 118.68 122.36 1x1m s LEU 70 Ca -0.05 0.00 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1x1m s LEU 70 Cb -0.06 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1x1m s LEU 70 CO -0.01 0.10 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.26 1x1m s ILE 71 N 0.82 2.24 -0.03 6.68 -1.09 0.29 -0.82 121.20 129.29 1x1m s ILE 71 Ca 0.04 -0.98 -0.02 0.00 -2.23 0.00 0.00 60.65 57.46 1x1m s ILE 71 Cb -0.13 -1.85 0.01 0.00 -1.58 0.00 0.00 42.46 38.91 1x1m s ILE 71 CO 0.02 0.56 0.07 -0.47 -1.23 0.00 0.00 174.94 173.90 1x1m s TYR 72 N 0.06 -0.07 -1.70 3.97 5.04 -0.12 -1.11 117.35 123.41 1x1m s TYR 72 Ca -0.09 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 1x1m s TYR 72 Cb -0.15 -0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.14 1x1m s TYR 72 CO 0.06 -0.05 0.00 0.00 -1.34 0.00 0.00 175.55 174.21 1x1m n GLY 74 N -0.64 0.46 2.79 0.00 0.00 -1.26 -5.03 105.19 101.51 1x1m n GLY 74 Ca -0.20 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.40 -0.02 0.41 1.61 1.70 0.72 -5.14 118.95 116.84 1x1m s ARG 75 Ca 0.00 0.21 -0.26 0.00 -0.47 0.00 0.00 55.73 55.20 1x1m s ARG 75 Cb 0.00 -0.23 -0.09 0.00 -0.57 0.00 0.00 34.95 34.05 1x1m s ARG 75 CO 0.00 -0.17 1.41 0.21 -1.08 0.00 0.00 175.30 175.68 1x1m s LYS 76 N 1.06 3.90 -0.19 3.89 2.36 -1.26 -0.94 119.74 128.56 1x1m s LYS 76 Ca -0.09 2.39 -0.08 0.00 -2.55 0.00 0.00 55.97 55.65 1x1m s LYS 76 Cb -0.12 -2.79 -0.04 0.00 -1.05 0.00 0.00 37.83 33.83 1x1m s LYS 76 CO -0.03 -0.64 0.07 -0.51 1.55 0.00 0.00 175.35 175.79 1x1m s LEU 77 N -2.44 3.86 0.33 5.43 1.43 -0.00 -4.87 118.68 122.42 1x1m s LEU 77 Ca 0.57 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1x1m s LEU 77 Cb -0.43 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 1x1m s LEU 77 CO 0.56 0.17 0.51 -0.54 0.23 0.00 0.00 176.35 177.28 1x1m s LYS 78 N 0.43 3.36 0.00 1.70 1.02 -1.26 -4.64 119.74 120.34 1x1m s LYS 78 Ca 0.04 -0.57 0.13 0.00 0.02 0.00 0.00 55.97 55.59 1x1m s LYS 78 Cb -0.12 -2.73 0.75 0.00 -0.52 0.00 0.00 37.83 35.21 1x1m s LYS 78 CO 0.00 0.15 1.43 -0.40 -0.92 0.00 0.00 175.35 175.61 1x1m n ASP 79 N -1.71 0.00 0.07 2.83 5.68 -1.26 -2.90 116.55 119.26 1x1m n ASP 79 Ca -0.04 -1.48 0.12 0.00 -0.50 0.00 0.00 54.79 52.89 1x1m n ASP 79 Cb 0.57 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.59 1x1m n ASP 79 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1x1m n ASP 80 N -0.71 0.72 -4.19 -1.12 5.68 -1.26 -4.66 116.55 111.01 1x1m n ASP 80 Ca 0.09 0.14 -0.20 0.00 -0.50 0.00 0.00 54.79 54.32 1x1m n ASP 80 Cb 0.04 0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1x1m n ASP 80 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x1m n GLN 81 N -2.34 0.86 -4.38 0.11 3.00 -1.14 -5.06 117.38 108.43 1x1m n GLN 81 Ca 0.01 -2.65 -0.25 0.00 -0.01 0.00 0.00 57.00 54.10 1x1m n GLN 81 Cb 0.50 0.28 -0.07 0.00 0.00 0.00 0.00 30.24 30.94 1x1m n GLN 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1x1m n THR 82 N -1.50 0.00 -0.11 5.09 -2.24 -1.26 -3.01 114.28 111.25 1x1m n THR 82 Ca -0.01 -2.38 -0.09 0.00 -2.27 0.00 0.00 64.05 59.30 1x1m n THR 82 Cb 0.48 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1x1m n THR 82 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1x1m h LEU 83 N 0.00 0.45 -0.28 3.22 -0.00 -1.84 -3.00 115.31 113.86 1x1m h LEU 83 Ca -0.31 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.88 57.42 1x1m h LEU 83 Cb 1.21 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 1x1m h LEU 83 CO 0.49 0.42 -0.03 -0.78 -0.00 0.00 0.00 178.44 178.54 1x1m h ASP 84 N 0.44 0.51 -0.98 -0.43 3.58 -1.87 0.48 116.42 118.15 1x1m h ASP 84 Ca 0.12 -0.33 0.33 0.00 0.42 0.00 0.00 57.03 57.58 1x1m h ASP 84 Cb 0.08 -0.14 -0.17 0.00 1.72 0.00 0.00 39.33 40.82 1x1m h ASP 84 CO -0.02 0.72 0.35 0.15 -2.88 0.00 0.00 179.24 177.56 1x1m h PHE 85 N 0.29 0.51 0.00 0.28 3.04 -1.93 0.75 116.94 119.88 1x1m h PHE 85 Ca 0.08 0.05 -0.06 0.00 3.98 0.00 0.00 57.97 62.02 1x1m h PHE 85 Cb 0.47 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 1x1m h PHE 85 CO 0.04 -0.38 -1.40 0.66 -2.02 0.00 0.00 178.31 175.21 1x1m n TYR 86 N -5.29 0.70 -1.75 0.41 4.01 -1.15 -4.98 117.16 109.10 1x1m n TYR 86 Ca 0.30 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 1x1m n TYR 86 Cb 0.99 -0.89 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 1.28 0.90 3.77 2.72 0.00 0.26 -5.05 105.19 109.07 1x1m n GLY 87 Ca -0.05 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.49 3.21 0.15 -0.61 1.01 -0.14 -4.99 121.20 117.34 1x1m s ILE 88 Ca 0.00 0.70 0.11 0.00 0.00 0.00 0.00 60.65 61.45 1x1m s ILE 88 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1x1m s ILE 88 CO 0.00 -0.22 -0.25 -1.10 0.00 0.00 0.00 174.94 173.37 1x1m s GLN 89 N -3.51 1.48 0.00 2.79 1.11 -1.26 -4.81 119.66 115.45 1x1m s GLN 89 Ca 0.71 -1.38 0.11 0.00 0.01 0.00 0.00 55.36 54.80 1x1m s GLN 89 Cb -0.23 -1.91 0.63 0.00 -1.01 0.00 0.00 33.01 30.49 1x1m s GLN 89 CO 0.31 0.44 1.06 -0.35 0.01 0.00 0.00 175.29 176.76 1x1m n PRO 90 N 0.70 0.49 -0.02 2.91 -0.04 -1.26 -2.03 135.00 135.75 1x1m n PRO 90 Ca -0.16 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.31 1x1m n PRO 90 Cb 0.54 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.68 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 1.78 3.47 0.55 0.00 -1.26 -4.08 105.19 105.63 1x1m n GLY 91 Ca 0.08 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1x1m n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x1m n SER 92 N -0.22 1.16 -3.93 1.61 2.88 -0.86 -4.92 113.62 109.33 1x1m n SER 92 Ca 0.02 -1.99 -0.18 0.00 -1.33 0.00 0.00 58.87 55.38 1x1m n SER 92 Cb 0.21 -0.59 -0.15 0.00 -0.75 0.00 0.00 64.21 62.93 1x1m n SER 92 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x1m s THR 93 N -2.77 0.49 0.39 2.46 2.01 -1.26 -2.51 115.64 114.45 1x1m s THR 93 Ca 0.60 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.49 1x1m s THR 93 Cb -0.03 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 1x1m s THR 93 CO 0.40 0.18 0.41 0.68 -0.69 0.00 0.00 174.62 175.60 1x1m s VAL 94 N 0.38 3.10 -0.05 3.82 -7.23 -0.99 -4.77 120.40 114.66 1x1m s VAL 94 Ca -0.05 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 1x1m s VAL 94 Cb -0.09 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 33.78 1x1m s VAL 94 CO -0.00 -0.06 -0.09 -1.00 -0.31 0.00 0.00 175.10 173.64 1x1m s HIS 95 N -2.37 1.13 -0.22 2.82 3.76 -0.27 -0.16 115.29 119.97 1x1m s HIS 95 Ca 0.48 -0.36 -0.13 0.00 -0.15 0.00 0.00 55.06 54.90 1x1m s HIS 95 Cb -0.06 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 1x1m s HIS 95 CO 0.29 -0.20 0.27 0.08 -0.85 0.00 0.00 174.74 174.33 1x1m s VAL 96 N 0.60 5.29 -0.19 -0.90 1.01 -0.68 -0.54 120.40 124.99 1x1m s VAL 96 Ca -0.11 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 1x1m s VAL 96 Cb -0.14 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1x1m s VAL 96 CO 0.02 0.30 0.01 -0.22 0.00 0.00 0.00 175.10 175.21 1x1m s LEU 97 N 1.17 3.36 0.06 3.92 1.98 -0.15 -2.39 118.68 126.64 1x1m s LEU 97 Ca 0.13 -0.14 -0.30 0.00 -2.89 0.00 0.00 54.13 50.93 1x1m s LEU 97 Cb -0.14 -1.84 -0.05 0.00 0.66 0.00 0.00 46.19 44.82 1x1m s LEU 97 CO 0.06 0.10 1.06 -0.13 -1.89 0.00 0.00 176.35 175.55 1x1m s ARG 98 N 0.77 4.55 -0.00 1.98 1.81 -1.26 -0.58 118.95 126.22 1x1m s ARG 98 Ca 0.01 1.58 -0.06 0.00 -1.72 0.00 0.00 55.73 55.53 1x1m s ARG 98 Cb -0.14 -3.38 -0.04 0.00 -0.45 0.00 0.00 34.95 30.94 1x1m s ARG 98 CO 0.02 -0.05 0.70 0.87 -0.68 0.00 0.00 175.30 176.16 1x1m h LYS 99 N 6.34 -0.22 -3.62 3.54 1.57 -1.81 -3.48 116.57 118.89 1x1m h LYS 99 Ca -0.42 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.28 1x1m h LYS 99 Cb 1.22 0.05 -0.16 0.00 0.08 0.00 0.00 32.23 33.42 1x1m h LYS 99 CO 0.76 -0.15 -0.37 0.45 -0.57 0.00 0.00 179.45 179.57 1x1m s SER 100 N -3.03 0.05 0.63 0.86 0.15 -1.26 -5.09 113.70 106.01 1x1m s SER 100 Ca -0.03 -0.45 -0.13 0.00 0.70 0.00 0.00 55.95 56.03 1x1m s SER 100 Cb 0.00 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1x1m s SER 100 CO 0.10 -0.63 1.05 0.86 1.20 0.00 0.00 173.24 175.82 1x1m s TRP 101 N -3.06 3.12 0.76 3.44 -0.00 -1.26 -4.97 118.94 116.97 1x1m s TRP 101 Ca -0.01 1.46 -0.15 0.00 -0.00 0.00 0.00 56.10 57.39 1x1m s TRP 101 Cb 0.01 -2.92 -0.13 0.00 -0.00 0.00 0.00 33.47 30.43 1x1m s TRP 101 CO -0.07 -1.08 -0.54 0.43 -0.00 0.00 0.00 176.95 175.69 1x1m n SER 102 N -2.52 -4.78 -4.54 5.86 7.64 -1.26 -4.83 113.62 109.20 1x1m n SER 102 Ca 0.08 0.29 -0.43 0.00 1.01 0.00 0.00 58.87 59.82 1x1m n SER 102 Cb 0.53 -0.71 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 1x1m n SER 102 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x1m s GLY 103 N -0.90 1.61 0.00 0.23 0.00 -1.26 -4.90 107.32 102.11 1x1m s GLY 103 Ca 0.40 -0.99 0.11 0.00 0.00 0.00 0.00 44.72 44.24 1x1m s GLY 103 CO 0.70 1.76 1.11 -1.55 0.00 0.00 0.00 173.10 175.11 1x1m n PRO 104 N 6.64 0.49 -2.75 2.90 -0.04 -1.26 -4.82 135.00 136.16 1x1m n PRO 104 Ca 0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1x1m n PRO 104 Cb 0.48 -1.36 0.04 0.00 -0.04 0.00 0.00 33.50 32.61 1x1m n PRO 104 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x1m n SER 105 N -0.86 -2.82 -4.49 3.54 7.64 -1.26 -4.99 113.62 110.39 1x1m n SER 105 Ca 0.08 -0.24 -0.43 0.00 1.01 0.00 0.00 58.87 59.29 1x1m n SER 105 Cb 0.04 -2.39 -0.05 0.00 -1.01 0.00 0.00 64.21 60.80 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 -3.37 6.28 0.00 6.43 0.01 -1.26 -5.35 113.70 116.45 1x1m s SER 106 Ca 0.11 -0.61 0.25 0.00 1.31 0.00 0.00 55.95 57.01 1x1m s SER 106 Cb -0.05 -2.35 1.50 0.00 0.21 0.00 0.00 66.02 65.34 1x1m s SER 106 CO 0.30 -1.00 1.86 0.61 0.41 0.00 0.00 173.24 175.42