#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 -0.51 -6.87 1.61 0.87 -2.11 -3.44 113.55 103.10 1x1m h SER 2 Ca 0.00 0.29 -0.57 0.00 -1.23 0.00 0.00 61.79 60.27 1x1m h SER 2 Cb 0.00 0.50 -0.24 0.00 -0.44 0.00 0.00 62.40 62.22 1x1m h SER 2 CO 0.00 -0.36 -0.87 -0.24 -0.53 0.00 0.00 176.83 174.82 1x1m n SER 3 N -5.50 -2.19 0.00 6.23 2.88 -1.26 -4.86 113.62 108.92 1x1m n SER 3 Ca 0.23 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.68 1x1m n SER 3 Cb 0.76 -2.39 0.00 0.00 -0.75 0.00 0.00 64.21 61.83 1x1m n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1m n GLY 4 N -1.49 2.89 3.76 0.46 0.00 -1.26 -5.09 105.19 104.45 1x1m n GLY 4 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1x1m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1m s SER 5 N 1.00 6.55 -0.18 1.61 0.01 -1.26 -5.02 113.70 116.41 1x1m s SER 5 Ca 0.00 2.84 -0.10 0.00 1.31 0.00 0.00 55.95 60.00 1x1m s SER 5 Cb 0.00 -2.65 0.06 0.00 0.21 0.00 0.00 66.02 63.64 1x1m s SER 5 CO 0.00 -0.74 0.44 -0.44 0.41 0.00 0.00 173.24 172.91 1x1m s SER 6 N -0.05 -0.55 0.00 2.44 0.01 -1.26 -5.06 113.70 109.23 1x1m s SER 6 Ca 0.54 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.75 1x1m s SER 6 Cb -0.44 0.84 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1x1m s SER 6 CO 0.54 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1x1m n GLY 7 N 4.11 0.68 3.47 3.44 0.00 -1.26 -5.16 105.19 110.47 1x1m n GLY 7 Ca -0.22 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.27 0.61 -0.19 1.61 0.00 -1.26 -5.03 119.30 114.76 1x1m s MET 8 Ca 0.00 0.91 0.16 0.00 0.00 0.00 0.00 55.69 56.76 1x1m s MET 8 Cb 0.00 0.19 0.52 0.00 0.00 0.00 0.00 34.83 35.54 1x1m s MET 8 CO 0.00 -0.12 1.42 0.43 0.00 0.00 0.00 175.02 176.76 1x1m n SER 9 N 3.54 3.70 -4.01 -1.18 7.64 -1.26 -5.03 113.62 117.02 1x1m n SER 9 Ca -0.18 -3.10 -0.30 0.00 1.01 0.00 0.00 58.87 56.30 1x1m n SER 9 Cb 0.57 -0.55 0.24 0.00 -1.01 0.00 0.00 64.21 63.45 1x1m n SER 9 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x1m s LEU 10 N -2.88 0.51 0.38 -3.43 2.01 -1.26 -4.94 118.68 109.06 1x1m s LEU 10 Ca 0.42 0.90 -0.28 0.00 0.01 0.00 0.00 54.13 55.18 1x1m s LEU 10 Cb 0.35 -2.68 -0.10 0.00 0.01 0.00 0.00 46.19 43.76 1x1m s LEU 10 CO 0.08 -4.20 1.44 -0.44 1.01 0.00 0.00 176.35 174.24 1x1m s SER 11 N -3.47 6.37 -0.46 2.29 0.01 -1.26 -4.99 113.70 112.19 1x1m s SER 11 Ca 0.69 2.96 0.03 0.00 1.31 0.00 0.00 55.95 60.94 1x1m s SER 11 Cb -0.14 -2.66 0.15 0.00 0.21 0.00 0.00 66.02 63.57 1x1m s SER 11 CO 0.58 -0.84 0.29 1.51 0.41 0.00 0.00 173.24 175.18 1x1m s ASP 12 N -0.26 3.34 -0.17 2.44 1.47 -1.26 -4.88 116.67 117.35 1x1m s ASP 12 Ca 0.53 -2.81 -0.29 0.00 1.18 0.00 0.00 52.55 51.16 1x1m s ASP 12 Cb -0.45 -0.94 -0.05 0.00 -0.34 0.00 0.00 42.92 41.15 1x1m s ASP 12 CO 0.60 -0.23 1.85 0.86 0.68 0.00 0.00 175.17 178.93 1x1m s TRP 13 N 0.15 1.67 0.06 2.11 -0.11 -1.26 -4.98 118.94 116.59 1x1m s TRP 13 Ca 0.21 0.33 0.05 0.00 1.22 0.00 0.00 56.10 57.91 1x1m s TRP 13 Cb -0.17 -4.03 -0.03 0.00 -1.50 0.00 0.00 33.47 27.74 1x1m s TRP 13 CO -0.05 -3.80 -0.13 -3.38 -4.62 0.00 0.00 176.95 164.97 1x1m s HIS 14 N 5.91 1.10 0.13 5.86 -3.43 -1.26 -4.28 115.29 119.32 1x1m s HIS 14 Ca 0.83 -0.45 0.04 0.00 -0.80 0.00 0.00 55.06 54.67 1x1m s HIS 14 Cb -0.31 -0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 30.17 1x1m s HIS 14 CO 0.34 0.03 -0.09 -1.17 -2.00 0.00 0.00 174.74 171.84 1x1m s LEU 15 N -1.63 2.52 -0.05 5.38 2.96 -0.89 -4.30 118.68 122.66 1x1m s LEU 15 Ca -0.03 -1.00 -0.04 0.00 -0.22 0.00 0.00 54.13 52.84 1x1m s LEU 15 Cb -0.10 -0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 1x1m s LEU 15 CO 0.02 -0.37 0.16 0.00 -1.32 0.00 0.00 176.35 174.84 1x1m s ALA 16 N -3.37 3.92 -0.07 5.97 0.00 -1.10 -0.36 121.76 126.76 1x1m s ALA 16 Ca 0.14 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1x1m s ALA 16 Cb 0.03 -1.92 -0.00 0.00 0.00 0.00 0.00 23.12 21.23 1x1m s ALA 16 CO -0.01 0.70 -0.21 0.08 0.00 0.00 0.00 175.76 176.31 1x1m s VAL 17 N -1.20 1.82 -0.01 0.00 1.01 0.36 -2.30 120.40 120.08 1x1m s VAL 17 Ca 0.22 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1x1m s VAL 17 Cb -0.12 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1x1m s VAL 17 CO 0.13 0.51 -0.09 -0.54 0.00 0.00 0.00 175.10 175.11 1x1m s LYS 18 N 0.20 0.72 -0.51 2.72 -0.14 -0.47 -1.44 119.74 120.81 1x1m s LYS 18 Ca -0.12 -0.33 -0.21 0.00 -1.36 0.00 0.00 55.97 53.96 1x1m s LYS 18 Cb -0.15 -0.69 0.05 0.00 -1.68 0.00 0.00 37.83 35.35 1x1m s LYS 18 CO 0.06 0.19 0.72 -1.17 -0.76 0.00 0.00 175.35 174.39 1x1m s LEU 19 N -0.24 4.63 0.32 3.17 2.96 -1.26 -1.70 118.68 126.57 1x1m s LEU 19 Ca 0.03 -0.65 0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1x1m s LEU 19 Cb -0.04 -2.61 0.73 0.00 0.50 0.00 0.00 46.19 44.78 1x1m s LEU 19 CO -0.00 -0.97 1.83 0.00 -1.32 0.00 0.00 176.35 175.89 1x1m h ALA 20 N 9.07 1.72 0.00 5.97 0.00 -1.85 0.20 119.26 134.36 1x1m h ALA 20 Ca -0.27 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1x1m h ALA 20 Cb 1.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1x1m h ALA 20 CO 0.99 0.00 -0.28 0.22 0.00 0.00 0.00 179.25 180.18 1x1m h ASP 21 N 0.79 0.00 -3.46 0.00 3.58 -1.92 -3.36 116.42 112.06 1x1m h ASP 21 Ca 0.50 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 57.34 1x1m h ASP 21 Cb 0.72 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.37 1x1m h ASP 21 CO -0.27 0.28 -0.73 -1.10 -2.88 0.00 0.00 179.24 174.54 1x1m s GLN 22 N -4.18 1.41 0.00 0.28 -0.21 0.71 -4.95 119.66 112.72 1x1m s GLN 22 Ca -0.03 -2.16 0.15 0.00 0.02 0.00 0.00 55.36 53.34 1x1m s GLN 22 Cb 0.14 -2.44 0.73 0.00 1.00 0.00 0.00 33.01 32.44 1x1m s GLN 22 CO 0.68 -1.18 1.42 -0.35 -2.12 0.00 0.00 175.29 173.73 1x1m n PRO 23 N 3.34 0.18 -0.09 2.91 -0.04 -1.17 -2.45 135.00 137.67 1x1m n PRO 23 Ca 0.11 0.16 -0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1x1m n PRO 23 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.32 0.30 -4.44 1.53 4.77 -1.26 -4.99 117.00 111.60 1x1m n LEU 24 Ca 0.06 0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.71 1x1m n LEU 24 Cb 0.13 0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1x1m n LEU 24 CO 0.12 0.51 -0.01 0.00 -1.33 0.00 0.00 177.39 176.67 1x1m n ALA 25 N -2.75 -1.46 -2.20 -1.18 0.00 -1.03 -4.87 120.51 107.02 1x1m n ALA 25 Ca -0.31 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 1x1m n ALA 25 Cb 1.13 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.79 4.33 0.37 0.00 0.04 -1.26 -4.89 135.00 131.80 1x1m s PRO 26 Ca 0.65 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.45 1x1m s PRO 26 Cb -0.50 -3.29 -0.11 0.00 0.04 0.00 0.00 34.50 30.63 1x1m s PRO 26 CO 0.57 -0.43 1.47 1.17 0.04 0.00 0.00 177.00 179.81 1x1m n LYS 27 N 4.10 2.60 -5.22 4.56 4.81 -1.26 -4.95 118.16 122.80 1x1m n LYS 27 Ca 0.11 0.91 -0.31 0.00 -0.87 0.00 0.00 58.31 58.15 1x1m n LYS 27 Cb 0.43 -2.63 -0.16 0.00 0.02 0.00 0.00 35.03 32.70 1x1m n LYS 27 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1x1m s SER 28 N -0.13 3.23 -0.06 3.14 0.01 -0.52 -4.93 113.70 114.43 1x1m s SER 28 Ca 0.54 -0.44 -0.16 0.00 1.31 0.00 0.00 55.95 57.20 1x1m s SER 28 Cb -0.49 -0.61 -0.05 0.00 0.21 0.00 0.00 66.02 65.08 1x1m s SER 28 CO 0.63 0.30 0.42 -0.63 0.41 0.00 0.00 173.24 174.36 1x1m s ILE 29 N -0.46 5.12 0.03 1.44 -1.09 -1.26 0.13 121.20 125.11 1x1m s ILE 29 Ca 0.05 0.84 0.02 0.00 -2.23 0.00 0.00 60.65 59.33 1x1m s ILE 29 Cb -0.11 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1x1m s ILE 29 CO 0.01 0.46 0.03 -0.22 -1.23 0.00 0.00 174.94 174.00 1x1m s LEU 30 N -0.25 3.65 -0.24 2.97 2.96 0.52 -4.95 118.68 123.34 1x1m s LEU 30 Ca 0.23 0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1x1m s LEU 30 Cb -0.16 -2.19 0.07 0.00 0.50 0.00 0.00 46.19 44.41 1x1m s LEU 30 CO 0.11 0.24 0.01 -1.10 -1.32 0.00 0.00 176.35 174.29 1x1m s GLN 31 N -1.87 1.15 0.45 1.98 -1.52 -1.26 -2.10 119.66 116.48 1x1m s GLN 31 Ca 0.23 -0.86 -0.20 0.00 -1.95 0.00 0.00 55.36 52.58 1x1m s GLN 31 Cb -0.12 -2.36 -0.10 0.00 -0.22 0.00 0.00 33.01 30.21 1x1m s GLN 31 CO 0.15 -0.69 0.97 -0.48 -0.25 0.00 0.00 175.29 174.98 1x1m s LEU 32 N 1.56 3.87 0.00 2.90 0.05 -1.26 -5.07 118.68 120.73 1x1m s LEU 32 Ca -0.01 1.71 -0.09 0.00 0.05 0.00 0.00 54.13 55.79 1x1m s LEU 32 Cb -0.18 -4.54 0.13 0.00 -2.05 0.00 0.00 46.19 39.55 1x1m s LEU 32 CO -0.10 -0.47 0.47 -0.81 -0.55 0.00 0.00 176.35 174.89 1x1m n PRO 33 N -0.86 -1.95 -1.66 1.48 -0.04 -1.26 -4.97 135.00 125.74 1x1m n PRO 33 Ca 0.07 -0.75 -0.15 0.00 -0.04 0.00 0.00 63.50 62.63 1x1m n PRO 33 Cb 0.54 -0.71 0.09 0.00 -0.04 0.00 0.00 33.50 33.38 1x1m n PRO 33 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x1m n GLU 34 N -2.95 -0.06 -3.48 0.54 0.28 -1.26 -4.82 120.64 108.88 1x1m n GLU 34 Ca 0.07 -1.58 -0.11 0.00 -0.16 0.00 0.00 57.16 55.38 1x1m n GLU 34 Cb 0.25 -0.51 -0.01 0.00 1.43 0.00 0.00 31.44 32.60 1x1m n GLU 34 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1x1m n THR 35 N -2.49 0.00 0.18 3.84 5.66 -1.26 -4.98 114.28 115.23 1x1m n THR 35 Ca 0.10 -1.31 0.18 0.00 -3.05 0.00 0.00 64.05 59.98 1x1m n THR 35 Cb 0.36 0.88 0.75 0.00 -1.55 0.00 0.00 70.33 70.77 1x1m n THR 35 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1x1m h GLU 36 N 0.00 0.00 0.00 1.09 9.09 -2.00 -3.29 114.58 119.47 1x1m h GLU 36 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.17 1x1m h GLU 36 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.09 1x1m h GLU 36 CO 0.31 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.65 1x1m n LEU 37 N -3.38 0.00 0.00 3.06 4.32 -1.26 -5.17 117.00 114.58 1x1m n LEU 37 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1x1m n LEU 37 Cb 0.56 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1x1m n LEU 37 CO 0.22 -0.46 0.00 0.61 -1.22 0.00 0.00 177.39 176.53 1x1m n GLY 38 N 2.80 -1.93 0.12 -0.72 0.00 -1.24 -5.02 105.19 99.20 1x1m n GLY 38 Ca 0.00 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 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 0.25 -0.70 1.61 4.11 -1.93 -3.36 114.58 114.56 1x1m h GLU 39 Ca 0.00 -0.43 0.14 0.00 0.07 0.00 0.00 59.36 59.14 1x1m h GLU 39 Cb 0.00 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.28 1x1m h GLU 39 CO 0.00 1.20 -0.18 2.48 0.07 0.00 0.00 179.01 182.58 1x1m n TYR 40 N -4.06 0.23 -3.93 2.06 4.11 -1.26 -3.34 117.16 110.98 1x1m n TYR 40 Ca -0.20 0.85 -0.31 0.00 -0.00 0.00 0.00 57.90 58.24 1x1m n TYR 40 Cb 0.84 -0.89 -0.15 0.00 -0.00 0.00 0.00 39.34 39.14 1x1m n TYR 40 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1x1m s SER 41 N -5.19 4.24 0.00 9.48 0.15 -1.26 -5.02 113.70 116.11 1x1m s SER 41 Ca -0.10 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 54.92 1x1m s SER 41 Cb 0.18 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 1x1m s SER 41 CO 0.54 -0.32 0.00 0.18 1.20 0.00 0.00 173.24 174.84 1x1m n LEU 42 N 4.55 0.94 -3.99 3.45 4.77 -1.21 -4.51 117.00 121.00 1x1m n LEU 42 Ca -0.05 0.16 -0.34 0.00 -0.03 0.00 0.00 56.01 55.76 1x1m n LEU 42 Cb 0.43 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1x1m n LEU 42 CO 0.18 -0.26 -0.12 0.61 -1.33 0.00 0.00 177.39 176.47 1x1m n GLY 43 N 2.15 -0.59 0.00 -0.72 0.00 -1.26 -4.46 105.19 100.31 1x1m n GLY 43 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.78 0.00 3.72 -0.02 0.00 -1.26 -4.88 105.19 100.97 1x1m n GLY 44 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1x1m n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1m s TYR 45 N -0.03 2.97 -0.08 1.61 2.02 -1.26 -4.87 117.35 117.70 1x1m s TYR 45 Ca 0.00 0.50 -0.24 0.00 -0.37 0.00 0.00 57.07 56.96 1x1m s TYR 45 Cb 0.00 -4.04 -0.03 0.00 -0.40 0.00 0.00 41.96 37.48 1x1m s TYR 45 CO 0.00 -3.87 0.71 -1.12 -1.57 0.00 0.00 175.55 169.70 1x1m s SER 46 N 1.11 6.98 0.24 2.29 0.01 -1.26 -2.56 113.70 120.50 1x1m s SER 46 Ca 0.72 1.18 -0.03 0.00 1.31 0.00 0.00 55.95 59.12 1x1m s SER 46 Cb -0.47 -2.42 0.47 0.00 0.21 0.00 0.00 66.02 63.81 1x1m s SER 46 CO 0.33 -0.15 1.27 -0.38 0.41 0.00 0.00 173.24 174.72 1x1m n ILE 47 N 3.90 -0.34 -0.37 1.44 2.08 -0.76 0.33 119.36 125.64 1x1m n ILE 47 Ca -0.01 1.83 0.00 0.00 0.56 0.00 0.00 62.75 65.14 1x1m n ILE 47 Cb 0.51 -2.59 0.06 0.00 -0.75 0.00 0.00 39.64 36.87 1x1m n ILE 47 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1x1m n SER 48 N -5.26 -0.58 -0.06 4.38 3.41 -1.26 -0.93 113.62 113.32 1x1m n SER 48 Ca 0.15 1.70 -0.11 0.00 -0.26 0.00 0.00 58.87 60.35 1x1m n SER 48 Cb 0.49 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.95 1x1m n SER 48 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1x1m h PHE 49 N 0.00 -1.27 -0.49 7.33 3.57 -0.51 -2.20 116.94 123.37 1x1m h PHE 49 Ca 0.36 0.06 0.08 0.00 3.53 0.00 0.00 57.97 62.00 1x1m h PHE 49 Cb 0.61 0.58 -0.10 0.00 2.79 0.00 0.00 35.95 39.83 1x1m h PHE 49 CO -0.84 -0.40 -0.41 -0.07 -2.23 0.00 0.00 178.31 174.36 1x1m h LEU 50 N -0.37 -1.40 -0.96 0.59 3.38 -1.10 0.54 115.31 116.00 1x1m h LEU 50 Ca 0.04 0.23 0.22 0.00 0.09 0.00 0.00 57.88 58.46 1x1m h LEU 50 Cb 0.49 0.63 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1x1m h LEU 50 CO -0.40 -0.35 1.10 0.11 0.09 0.00 0.00 178.44 178.99 1x1m h LYS 51 N -0.27 0.00 0.04 1.13 1.57 -0.70 0.71 116.57 119.06 1x1m h LYS 51 Ca 0.17 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.70 1x1m h LYS 51 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1x1m h LYS 51 CO -0.63 0.00 -1.31 1.96 -0.57 0.00 0.00 179.45 178.90 1x1m h GLN 52 N 0.00 0.09 -0.38 3.15 4.20 0.28 -3.16 115.11 119.28 1x1m h GLN 52 Ca 0.37 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 58.99 1x1m h GLN 52 Cb 2.55 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 30.33 1x1m h GLN 52 CO -0.00 1.07 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.15 1x1m h LEU 53 N -0.69 -0.18 0.47 1.46 4.07 0.95 -0.30 115.31 121.09 1x1m h LEU 53 Ca -0.33 0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.70 1x1m h LEU 53 Cb 1.49 0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.40 1x1m h LEU 53 CO -0.09 -0.05 -0.23 0.40 -1.08 0.00 0.00 178.44 177.39 1x1m h ILE 54 N 0.09 0.51 -1.02 1.22 5.03 -1.44 -2.58 117.51 119.32 1x1m h ILE 54 Ca 0.19 -0.25 0.27 0.00 -0.12 0.00 0.00 64.86 64.95 1x1m h ILE 54 Cb 0.27 0.62 -0.07 0.00 -3.03 0.00 0.00 36.82 34.61 1x1m h ILE 54 CO -0.32 0.04 0.69 0.00 -0.68 0.00 0.00 178.15 177.88 1x1m h ALA 55 N -0.33 2.49 0.00 1.87 0.00 -1.46 0.50 119.26 122.33 1x1m h ALA 55 Ca -0.06 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1x1m h ALA 55 Cb 0.55 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1x1m h ALA 55 CO 0.11 -0.84 -0.56 0.78 0.00 0.00 0.00 179.25 178.74 1x1m h GLY 56 N 0.26 0.00 1.49 0.00 0.00 -0.78 -2.44 103.07 101.60 1x1m h GLY 56 Ca 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.72 1x1m h GLY 56 CO -0.18 0.00 -1.03 0.50 0.00 0.00 0.00 176.54 175.83 1x1m h LYS 57 N 0.00 0.00 -0.68 4.80 1.79 0.27 -3.29 116.57 119.46 1x1m h LYS 57 Ca -0.01 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.24 1x1m h LYS 57 Cb 1.05 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.57 1x1m h LYS 57 CO 0.07 0.46 0.25 1.28 -1.08 0.00 0.00 179.45 180.43 1x1m n LEU 58 N -3.08 5.75 0.19 2.94 4.77 0.10 -4.57 117.00 123.11 1x1m n LEU 58 Ca -0.04 -3.30 0.09 0.00 -0.03 0.00 0.00 56.01 52.72 1x1m n LEU 58 Cb 0.82 -0.73 0.49 0.00 -2.33 0.00 0.00 43.42 41.68 1x1m n LEU 58 CO 0.43 0.87 0.86 1.56 -1.33 0.00 0.00 177.39 179.77 1x1m h GLN 59 N 2.25 0.00 -0.42 3.23 1.08 -1.52 0.41 115.11 120.13 1x1m h GLN 59 Ca 0.27 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.42 1x1m h GLN 59 Cb 2.24 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.65 1x1m h GLN 59 CO 0.69 0.00 0.03 1.05 -0.95 0.00 0.00 178.83 179.65 1x1m h GLU 60 N 0.00 0.66 0.00 1.46 4.11 -1.88 -3.37 114.58 115.56 1x1m h GLU 60 Ca 0.00 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 1x1m h GLU 60 Cb 0.46 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1x1m h GLU 60 CO 0.00 0.66 -1.06 0.43 0.07 0.00 0.00 179.01 179.12 1x1m n SER 61 N -4.26 2.54 -4.66 3.06 7.64 0.13 -5.00 113.62 113.06 1x1m n SER 61 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.48 1x1m n SER 61 Cb 0.26 -0.02 -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 -2.02 4.01 -0.02 0.44 1.01 0.12 -4.93 120.40 119.00 1x1m s VAL 62 Ca -0.01 1.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.95 1x1m s VAL 62 Cb 0.00 -3.80 -0.20 0.00 0.00 0.00 0.00 36.38 32.38 1x1m s VAL 62 CO 0.02 -0.10 1.25 1.55 0.00 0.00 0.00 175.10 177.82 1x1m h PRO 63 N 8.56 -0.03 -2.90 2.72 0.13 -1.86 -3.37 132.00 135.25 1x1m h PRO 63 Ca -0.32 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.72 1x1m h PRO 63 Cb 1.14 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 1x1m h PRO 63 CO 0.96 0.44 -0.14 -0.51 -0.23 0.00 0.00 178.00 178.52 1x1m s ASP 64 N -5.65 -0.29 0.30 1.44 1.01 -1.26 -5.03 116.67 107.19 1x1m s ASP 64 Ca -0.16 0.12 0.25 0.00 0.71 0.00 0.00 52.55 53.48 1x1m s ASP 64 Cb 0.02 0.39 1.04 0.00 1.01 0.00 0.00 42.92 45.38 1x1m s ASP 64 CO 0.66 -0.56 1.75 1.55 0.21 0.00 0.00 175.17 178.78 1x1m h PRO 65 N 3.38 0.00 0.00 8.23 0.13 -1.89 -2.79 132.00 139.06 1x1m h PRO 65 Ca -0.30 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.56 1x1m h PRO 65 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1x1m h PRO 65 CO 0.42 0.00 -1.63 0.93 -0.23 0.00 0.00 178.00 177.48 1x1m h GLU 66 N 0.00 0.00 -0.53 0.86 5.08 -1.96 -3.32 114.58 114.71 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 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1x1m h GLU 66 CO 0.00 0.51 0.00 1.28 -1.00 0.00 0.00 179.01 179.80 1x1m n LEU 67 N -3.05 2.06 -4.23 1.33 4.77 -1.06 -4.86 117.00 111.96 1x1m n LEU 67 Ca -0.15 -1.04 -0.13 0.00 -0.03 0.00 0.00 56.01 54.66 1x1m n LEU 67 Cb 1.03 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.66 1x1m n LEU 67 CO 0.45 0.38 -0.28 0.27 -1.33 0.00 0.00 177.39 176.88 1x1m s ILE 68 N -1.64 0.36 0.22 -0.08 -5.25 -1.21 -2.16 121.20 111.44 1x1m s ILE 68 Ca 0.19 -1.97 0.04 0.00 -0.99 0.00 0.00 60.65 57.91 1x1m s ILE 68 Cb 0.12 -2.34 -0.05 0.00 2.95 0.00 0.00 42.46 43.15 1x1m s ILE 68 CO 0.10 -0.23 -0.02 -1.81 -1.79 0.00 0.00 174.94 171.19 1x1m s ASP 69 N -3.18 1.78 -0.04 4.36 1.01 0.30 -4.87 116.67 116.03 1x1m s ASP 69 Ca 0.31 -1.19 0.03 0.00 0.71 0.00 0.00 52.55 52.41 1x1m s ASP 69 Cb 0.07 0.02 -0.03 0.00 1.01 0.00 0.00 42.92 43.99 1x1m s ASP 69 CO 0.08 -0.49 -0.10 -0.22 0.21 0.00 0.00 175.17 174.64 1x1m s LEU 70 N -3.28 2.96 -0.05 1.23 2.96 -1.26 -1.96 118.68 119.28 1x1m s LEU 70 Ca 0.27 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1x1m s LEU 70 Cb 0.05 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 45.11 1x1m s LEU 70 CO 0.07 0.34 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.70 1x1m s ILE 71 N -0.82 1.03 0.01 6.68 -1.09 -0.56 -1.97 121.20 124.48 1x1m s ILE 71 Ca 0.13 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 1x1m s ILE 71 Cb -0.11 -0.94 -0.01 0.00 -1.58 0.00 0.00 42.46 39.82 1x1m s ILE 71 CO 0.02 0.33 -0.02 -0.47 -1.23 0.00 0.00 174.94 173.57 1x1m s TYR 72 N 0.54 0.19 -0.95 3.97 5.04 0.07 -1.72 117.35 124.48 1x1m s TYR 72 Ca -0.11 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.21 1x1m s TYR 72 Cb -0.14 -0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.04 1x1m s TYR 72 CO 0.03 -0.11 0.00 0.00 -1.34 0.00 0.00 175.55 174.13 1x1m n GLY 74 N -0.68 0.35 3.22 0.00 0.00 -1.26 -5.02 105.19 101.80 1x1m n GLY 74 Ca -0.12 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.77 0.37 0.61 1.61 1.70 0.21 -5.15 118.95 114.52 1x1m s ARG 75 Ca 0.00 0.62 -0.19 0.00 -0.47 0.00 0.00 55.73 55.69 1x1m s ARG 75 Cb 0.00 0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.40 1x1m s ARG 75 CO 0.00 -0.12 1.30 0.21 -1.08 0.00 0.00 175.30 175.61 1x1m s LYS 76 N 0.88 2.80 -0.18 3.89 2.36 -1.26 -0.75 119.74 127.49 1x1m s LYS 76 Ca -0.06 2.08 -0.03 0.00 -2.55 0.00 0.00 55.97 55.41 1x1m s LYS 76 Cb -0.06 -1.99 -0.01 0.00 -1.05 0.00 0.00 37.83 34.72 1x1m s LYS 76 CO -0.07 -1.41 -0.06 -0.51 1.55 0.00 0.00 175.35 174.85 1x1m s LEU 77 N -4.05 2.92 0.63 5.43 1.43 -0.83 -4.83 118.68 119.37 1x1m s LEU 77 Ca 0.78 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 1x1m s LEU 77 Cb -0.37 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1x1m s LEU 77 CO 0.41 0.07 1.04 -0.54 0.23 0.00 0.00 176.35 177.55 1x1m s LYS 78 N 0.97 3.41 0.00 1.70 -0.14 -1.26 -4.68 119.74 119.74 1x1m s LYS 78 Ca -0.01 0.86 0.30 0.00 -1.36 0.00 0.00 55.97 55.77 1x1m s LYS 78 Cb -0.15 -2.05 1.77 0.00 -1.68 0.00 0.00 37.83 35.72 1x1m s LYS 78 CO 0.00 -0.72 2.14 -0.40 -0.76 0.00 0.00 175.35 175.62 1x1m n ASP 79 N -2.71 0.09 -0.04 2.83 5.68 -1.26 -2.92 116.55 118.22 1x1m n ASP 79 Ca 0.07 -1.08 0.11 0.00 -0.50 0.00 0.00 54.79 53.39 1x1m n ASP 79 Cb 0.54 -0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.60 1x1m n ASP 79 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1x1m n ASP 80 N -0.91 0.83 -4.99 -1.12 9.92 -1.26 -4.37 116.55 114.65 1x1m n ASP 80 Ca 0.23 -0.69 -0.19 0.00 -0.53 0.00 0.00 54.79 53.61 1x1m n ASP 80 Cb 0.12 0.59 0.02 0.00 -0.64 0.00 0.00 41.12 41.21 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 -2.94 2.58 0.22 -1.24 1.11 -1.15 -5.00 119.66 113.23 1x1m s GLN 81 Ca 0.11 -1.46 0.02 0.00 0.01 0.00 0.00 55.36 54.04 1x1m s GLN 81 Cb 0.17 -2.63 -0.01 0.00 -1.01 0.00 0.00 33.01 29.53 1x1m s GLN 81 CO 0.76 -0.48 0.09 0.25 0.01 0.00 0.00 175.29 175.92 1x1m n THR 82 N -1.93 0.00 0.15 -0.19 -2.24 -1.26 -1.84 114.28 106.97 1x1m n THR 82 Ca 0.09 -1.30 -0.14 0.00 -2.27 0.00 0.00 64.05 60.43 1x1m n THR 82 Cb 0.61 0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.27 0.46 3.22 -0.00 -1.83 -3.11 115.31 113.78 1x1m h LEU 83 Ca -0.17 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.65 1x1m h LEU 83 Cb 0.66 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 1x1m h LEU 83 CO 0.26 -0.12 -0.33 -0.78 -0.00 0.00 0.00 178.44 177.47 1x1m h ASP 84 N -0.40 -0.85 -0.72 -0.43 1.82 -1.89 0.82 116.42 114.77 1x1m h ASP 84 Ca -0.03 0.06 0.16 0.00 -0.39 0.00 0.00 57.03 56.83 1x1m h ASP 84 Cb 0.30 0.26 -0.14 0.00 0.68 0.00 0.00 39.33 40.44 1x1m h ASP 84 CO 0.05 -0.50 -0.11 0.33 -1.61 0.00 0.00 179.24 177.40 1x1m n PHE 85 N -5.46 0.33 0.04 0.28 -0.00 -1.21 0.19 117.46 111.63 1x1m n PHE 85 Ca -0.11 0.88 -0.00 0.00 -0.00 0.00 0.00 57.45 58.21 1x1m n PHE 85 Cb 0.35 -0.96 -0.07 0.00 -0.00 0.00 0.00 39.48 38.80 1x1m n PHE 85 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1x1m h TYR 86 N 0.00 0.00 0.00 -5.13 0.05 -1.42 -3.49 116.97 106.98 1x1m h TYR 86 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1x1m h TYR 86 Cb 0.66 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1x1m h TYR 86 CO -0.49 0.60 0.00 0.41 -1.05 0.00 0.00 178.16 177.63 1x1m n GLY 87 N 1.38 0.57 3.64 3.88 0.00 0.51 -5.00 105.19 110.17 1x1m n GLY 87 Ca -0.09 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.68 1x1m n GLY 87 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x1m n ILE 88 N -3.20 1.80 -4.11 -0.61 5.41 -0.65 -4.97 119.36 113.02 1x1m n ILE 88 Ca 0.00 -0.45 -0.27 0.00 1.00 0.00 0.00 62.75 63.03 1x1m n ILE 88 Cb 0.23 -1.28 -0.06 0.00 -0.71 0.00 0.00 39.64 37.82 1x1m n ILE 88 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1x1m s GLN 89 N -1.46 2.74 0.00 0.38 1.11 -1.26 -4.87 119.66 116.30 1x1m s GLN 89 Ca 0.59 -0.89 0.11 0.00 0.01 0.00 0.00 55.36 55.18 1x1m s GLN 89 Cb -0.65 -2.58 0.65 0.00 -1.01 0.00 0.00 33.01 29.42 1x1m s GLN 89 CO 0.59 0.50 1.09 -0.35 0.01 0.00 0.00 175.29 177.12 1x1m n PRO 90 N -0.06 0.49 -0.54 2.91 -0.04 -1.26 -2.38 135.00 134.12 1x1m n PRO 90 Ca -0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.43 1x1m n PRO 90 Cb 0.54 -1.35 0.13 0.00 -0.04 0.00 0.00 33.50 32.79 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 3.91 3.97 0.55 0.00 -1.26 -4.30 105.19 108.04 1x1m n GLY 91 Ca 0.08 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 1x1m n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x1m s SER 92 N -2.67 4.81 -0.00 1.61 1.04 -1.00 -5.00 113.70 112.48 1x1m s SER 92 Ca 0.31 -1.11 0.02 0.00 0.48 0.00 0.00 55.95 55.66 1x1m s SER 92 Cb 0.30 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.88 1x1m s SER 92 CO -0.04 -1.27 -0.08 -0.89 0.98 0.00 0.00 173.24 171.94 1x1m s THR 93 N -2.75 0.59 0.31 2.02 2.01 -1.26 -2.70 115.64 113.86 1x1m s THR 93 Ca 0.46 -0.34 0.10 0.00 0.31 0.00 0.00 61.69 62.22 1x1m s THR 93 Cb -0.04 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 1x1m s THR 93 CO 0.29 0.16 -0.09 0.68 -0.69 0.00 0.00 174.62 174.97 1x1m s VAL 94 N -0.20 2.57 0.08 3.82 -7.23 -0.97 -4.72 120.40 113.75 1x1m s VAL 94 Ca 0.03 -2.16 0.08 0.00 -1.81 0.00 0.00 61.98 58.12 1x1m s VAL 94 Cb -0.03 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1x1m s VAL 94 CO -0.00 -0.28 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.28 1x1m s HIS 95 N -2.52 1.91 -0.20 2.82 3.76 -0.70 -1.37 115.29 118.99 1x1m s HIS 95 Ca 0.32 -0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 54.77 1x1m s HIS 95 Cb -0.02 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 1x1m s HIS 95 CO 0.17 0.18 0.04 0.08 -0.85 0.00 0.00 174.74 174.37 1x1m s VAL 96 N -1.00 4.42 -0.19 -0.90 1.01 -0.69 -1.50 120.40 121.55 1x1m s VAL 96 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 1x1m s VAL 96 Cb -0.10 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1x1m s VAL 96 CO 0.04 0.42 -0.15 -0.22 0.00 0.00 0.00 175.10 175.19 1x1m s LEU 97 N 0.81 2.37 0.31 3.92 1.98 -0.83 -2.71 118.68 124.53 1x1m s LEU 97 Ca 0.02 -0.59 -0.28 0.00 -2.89 0.00 0.00 54.13 50.39 1x1m s LEU 97 Cb -0.14 -1.56 -0.09 0.00 0.66 0.00 0.00 46.19 45.06 1x1m s LEU 97 CO 0.02 -0.01 1.12 -0.13 -1.89 0.00 0.00 176.35 175.46 1x1m s ARG 98 N 1.34 4.51 0.71 1.98 0.52 -1.26 -0.54 118.95 126.21 1x1m s ARG 98 Ca 0.05 1.81 -0.11 0.00 -0.52 0.00 0.00 55.73 56.95 1x1m s ARG 98 Cb -0.13 -3.06 0.02 0.00 0.52 0.00 0.00 34.95 32.30 1x1m s ARG 98 CO -0.10 0.09 1.07 0.15 0.02 0.00 0.00 175.30 176.53 1x1m s LYS 99 N -1.67 2.74 -1.01 3.54 1.02 -0.92 -4.89 119.74 118.55 1x1m s LYS 99 Ca 0.47 1.07 -0.12 0.00 0.02 0.00 0.00 55.97 57.42 1x1m s LYS 99 Cb -0.31 -1.96 0.23 0.00 -0.52 0.00 0.00 37.83 35.27 1x1m s LYS 99 CO 0.40 -1.26 1.03 0.45 -0.92 0.00 0.00 175.35 175.05 1x1m s SER 100 N -3.50 7.03 -0.10 2.83 0.15 -1.26 -4.98 113.70 113.88 1x1m s SER 100 Ca 0.60 -3.06 -0.09 0.00 0.70 0.00 0.00 55.95 54.10 1x1m s SER 100 Cb -0.16 -2.25 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1x1m s SER 100 CO 0.53 -0.52 0.26 0.86 1.20 0.00 0.00 173.24 175.57 1x1m s TRP 101 N -0.04 -0.28 0.00 3.44 -0.11 -1.26 -5.07 118.94 115.61 1x1m s TRP 101 Ca 0.28 0.69 -0.01 0.00 1.22 0.00 0.00 56.10 58.28 1x1m s TRP 101 Cb -0.09 0.10 -0.00 0.00 -1.50 0.00 0.00 33.47 31.98 1x1m s TRP 101 CO -0.08 -0.14 0.76 0.43 -4.62 0.00 0.00 176.95 173.30 1x1m n SER 102 N 2.98 -0.03 -0.82 5.86 7.64 -1.26 -4.93 113.62 123.06 1x1m n SER 102 Ca -0.13 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1x1m n SER 102 Cb 0.58 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1x1m n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1m n GLY 103 N -1.01 -0.72 3.60 0.23 0.00 -1.26 -5.09 105.19 100.94 1x1m n GLY 103 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.58 -1.19 -0.08 1.61 0.04 -1.26 -5.06 135.00 128.47 1x1m s PRO 104 Ca 0.00 -0.06 0.05 0.00 0.04 0.00 0.00 61.00 61.03 1x1m s PRO 104 Cb 0.00 -1.60 -0.00 0.00 0.04 0.00 0.00 34.50 32.94 1x1m s PRO 104 CO 0.00 -3.69 -0.24 -1.54 0.04 0.00 0.00 177.00 171.57 1x1m s SER 105 N -3.89 3.04 -0.66 6.66 1.04 -1.26 -5.07 113.70 113.57 1x1m s SER 105 Ca 0.71 -0.53 -0.26 0.00 0.48 0.00 0.00 55.95 56.34 1x1m s SER 105 Cb -0.10 -1.16 -0.03 0.00 0.10 0.00 0.00 66.02 64.84 1x1m s SER 105 CO 0.56 0.19 1.88 -0.94 0.98 0.00 0.00 173.24 175.91 1x1m s SER 106 N 0.14 5.24 0.00 7.02 1.04 -1.26 -5.36 113.70 120.51 1x1m s SER 106 Ca -0.12 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1x1m s SER 106 Cb -0.16 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1x1m s SER 106 CO 0.07 -2.44 0.03 0.61 0.98 0.00 0.00 173.24 172.48