#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5x n SER 2 N 0.00 -6.99 -4.96 1.61 2.88 -1.26 -5.01 113.62 99.88 1x5x n SER 2 Ca 0.00 0.95 -0.20 0.00 -1.33 0.00 0.00 58.87 58.30 1x5x n SER 2 Cb 0.00 -3.38 -0.01 0.00 -0.75 0.00 0.00 64.21 60.07 1x5x n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5x s SER 3 N -2.57 5.91 0.00 -3.46 0.01 -1.26 -4.99 113.70 107.34 1x5x s SER 3 Ca 0.00 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1x5x s SER 3 Cb 0.00 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.95 1x5x s SER 3 CO 0.00 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1x5x n GLY 4 N -1.56 -2.27 2.75 3.44 0.00 -1.26 -5.11 105.19 101.17 1x5x n GLY 4 Ca -0.02 0.76 -0.01 0.00 0.00 0.00 0.00 46.02 46.75 1x5x n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5x n SER 5 N -0.46 -6.04 -3.15 1.61 7.64 -1.26 -5.05 113.62 106.91 1x5x n SER 5 Ca 0.00 1.31 0.05 0.00 1.01 0.00 0.00 58.87 61.24 1x5x n SER 5 Cb 0.00 -4.85 -0.00 0.00 -1.01 0.00 0.00 64.21 58.35 1x5x n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5x s SER 6 N -1.29 -0.92 0.00 6.43 0.01 -1.16 -4.69 113.70 112.08 1x5x s SER 6 Ca -0.07 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1x5x s SER 6 Cb 0.00 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.84 1x5x s SER 6 CO 0.69 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1x5x n GLY 7 N 5.27 0.09 3.75 3.44 0.00 -1.21 -5.00 105.19 111.53 1x5x n GLY 7 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1x5x n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5x s PRO 8 N 1.45 4.63 1.07 1.61 0.04 -1.26 -5.00 135.00 137.53 1x5x s PRO 8 Ca 0.00 1.76 -0.22 0.00 0.04 0.00 0.00 61.00 62.58 1x5x s PRO 8 Cb 0.00 -3.23 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 1x5x s PRO 8 CO 0.00 0.16 -0.57 0.43 0.04 0.00 0.00 177.00 177.06 1x5x n SER 9 N 1.73 -2.62 -4.69 6.66 7.64 -1.26 -4.75 113.62 116.32 1x5x n SER 9 Ca 0.01 -0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.37 1x5x n SER 9 Cb 0.45 -0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 62.85 1x5x n SER 9 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1x5x s MET 10 N -2.90 4.21 0.15 1.43 1.75 -1.26 -4.77 119.30 117.91 1x5x s MET 10 Ca 0.47 2.27 -0.02 0.00 -1.25 0.00 0.00 55.69 57.16 1x5x s MET 10 Cb -0.03 -3.59 0.04 0.00 2.84 0.00 0.00 34.83 34.09 1x5x s MET 10 CO 0.64 -0.71 0.16 -0.35 -0.65 0.00 0.00 175.02 174.11 1x5x n PRO 11 N 5.55 -0.73 -4.19 4.11 -0.04 -1.26 -4.71 135.00 133.73 1x5x n PRO 11 Ca 0.15 -0.25 -0.35 0.00 -0.04 0.00 0.00 63.50 63.01 1x5x n PRO 11 Cb 0.41 -0.20 -0.09 0.00 -0.04 0.00 0.00 33.50 33.58 1x5x n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5x s ALA 12 N -3.50 3.43 0.40 0.55 0.00 -1.26 -4.83 121.76 116.56 1x5x s ALA 12 Ca 0.10 -0.76 -0.22 0.00 0.00 0.00 0.00 51.96 51.08 1x5x s ALA 12 Cb -0.01 -1.68 -0.14 0.00 0.00 0.00 0.00 23.12 21.29 1x5x s ALA 12 CO 0.07 0.50 0.29 -1.13 0.00 0.00 0.00 175.76 175.49 1x5x n SER 13 N 2.45 -1.99 -4.69 0.00 3.41 -1.26 -4.53 113.62 107.00 1x5x n SER 13 Ca -0.18 0.86 -0.42 0.00 -0.26 0.00 0.00 58.87 58.86 1x5x n SER 13 Cb 0.54 -0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1x5x n SER 13 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1x5x s PRO 14 N -1.25 4.37 0.64 4.33 0.04 -1.26 -4.80 135.00 137.07 1x5x s PRO 14 Ca 0.61 1.70 -0.09 0.00 0.04 0.00 0.00 61.00 63.26 1x5x s PRO 14 Cb -0.63 -3.51 0.14 0.00 0.04 0.00 0.00 34.50 30.54 1x5x s PRO 14 CO 0.60 -0.40 0.87 1.33 0.04 0.00 0.00 177.00 179.44 1x5x n VAL 15 N 4.45 0.00 -3.55 -0.36 0.24 0.12 -4.78 118.33 114.45 1x5x n VAL 15 Ca 0.10 -0.75 -0.29 0.00 -2.04 0.00 0.00 64.34 61.37 1x5x n VAL 15 Cb 0.46 -1.55 -0.15 0.00 -1.47 0.00 0.00 33.84 31.13 1x5x n VAL 15 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1x5x s LEU 16 N 0.00 0.63 0.02 1.34 2.96 -1.26 -1.40 118.68 120.97 1x5x s LEU 16 Ca 0.51 -1.33 -0.26 0.00 -0.22 0.00 0.00 54.13 52.83 1x5x s LEU 16 Cb -0.02 -0.38 -0.17 0.00 0.50 0.00 0.00 46.19 46.13 1x5x s LEU 16 CO 0.35 -0.44 1.31 0.71 -1.32 0.00 0.00 176.35 176.97 1x5x h THR 17 N 6.38 0.64 -3.98 3.68 1.35 -1.21 -3.45 112.91 116.31 1x5x h THR 17 Ca -0.19 -0.47 -0.36 0.00 -0.55 0.00 0.00 66.41 64.84 1x5x h THR 17 Cb 1.01 0.87 -0.26 0.00 -1.73 0.00 0.00 68.15 68.04 1x5x h THR 17 CO 0.44 0.09 -0.77 -0.75 -0.25 0.00 0.00 175.52 174.28 1x5x s LYS 18 N -4.93 0.63 -0.28 4.72 2.20 -1.18 -5.04 119.74 115.87 1x5x s LYS 18 Ca -0.15 -0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 54.98 1x5x s LYS 18 Cb 0.03 -0.58 0.02 0.00 -1.51 0.00 0.00 37.83 35.79 1x5x s LYS 18 CO 0.56 0.15 0.01 0.00 -0.36 0.00 0.00 175.35 175.71 1x5x s ALA 19 N -0.52 2.88 0.44 3.13 0.00 -1.26 -0.84 121.76 125.58 1x5x s ALA 19 Ca 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.49 1x5x s ALA 19 Cb -0.05 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.14 1x5x s ALA 19 CO 0.00 -0.93 0.63 0.20 0.00 0.00 0.00 175.76 175.66 1x5x s GLY 20 N 1.39 1.69 0.05 0.00 0.00 0.31 -4.59 107.32 106.18 1x5x s GLY 20 Ca 0.01 -1.31 -0.20 0.00 0.00 0.00 0.00 44.72 43.22 1x5x s GLY 20 CO -0.01 -1.13 1.40 -2.22 0.00 0.00 0.00 173.10 171.15 1x5x h ILE 21 N 0.47 1.31 0.00 0.90 2.04 -1.90 -3.31 117.51 117.03 1x5x h ILE 21 Ca -0.44 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.26 1x5x h ILE 21 Cb 1.27 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1x5x h ILE 21 CO 0.53 0.35 -0.02 0.35 0.00 0.00 0.00 178.15 179.36 1x5x n THR 22 N -4.59 1.38 -3.88 -0.27 -2.24 -1.26 -3.36 114.28 100.07 1x5x n THR 22 Ca -0.05 -1.57 -0.10 0.00 -2.27 0.00 0.00 64.05 60.05 1x5x n THR 22 Cb 0.32 0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.60 1x5x n THR 22 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1x5x s TRP 23 N -1.88 0.09 -0.10 4.78 1.48 -1.24 -1.96 118.94 120.11 1x5x s TRP 23 Ca 0.16 -0.30 -0.03 0.00 -1.06 0.00 0.00 56.10 54.86 1x5x s TRP 23 Cb 0.14 -0.07 0.05 0.00 -1.16 0.00 0.00 33.47 32.43 1x5x s TRP 23 CO 0.02 -0.37 0.12 -0.51 -4.06 0.00 0.00 176.95 172.14 1x5x s LEU 24 N -1.91 0.09 -0.51 -4.66 1.43 0.17 0.11 118.68 113.41 1x5x s LEU 24 Ca -0.08 -0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 1x5x s LEU 24 Cb -0.03 0.02 0.05 0.00 0.03 0.00 0.00 46.19 46.26 1x5x s LEU 24 CO -0.03 -0.28 0.72 -0.55 0.23 0.00 0.00 176.35 176.44 1x5x s SER 25 N 2.22 6.27 0.41 2.29 0.15 -0.02 -0.03 113.70 124.99 1x5x s SER 25 Ca 0.04 -0.66 0.08 0.00 0.70 0.00 0.00 55.95 56.11 1x5x s SER 25 Cb -0.13 -2.34 0.01 0.00 -1.71 0.00 0.00 66.02 61.85 1x5x s SER 25 CO -0.06 -0.97 0.56 -0.76 1.20 0.00 0.00 173.24 173.20 1x5x s LEU 26 N 3.05 3.70 -0.24 3.45 1.43 -0.83 -0.72 118.68 128.51 1x5x s LEU 26 Ca 0.21 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1x5x s LEU 26 Cb -0.16 -2.68 0.12 0.00 0.03 0.00 0.00 46.19 43.49 1x5x s LEU 26 CO 0.15 -0.72 0.48 -1.10 0.23 0.00 0.00 176.35 175.40 1x5x s GLN 27 N -4.33 0.41 0.21 1.70 -1.52 -0.49 -3.43 119.66 112.19 1x5x s GLN 27 Ca 0.53 1.04 0.08 0.00 -1.95 0.00 0.00 55.36 55.06 1x5x s GLN 27 Cb -0.10 0.33 -0.05 0.00 -0.22 0.00 0.00 33.01 32.98 1x5x s GLN 27 CO 0.33 -0.35 -0.14 1.67 -0.25 0.00 0.00 175.29 176.55 1x5x s TRP 28 N 2.69 1.71 0.40 0.91 -2.14 -1.20 0.12 118.94 121.43 1x5x s TRP 28 Ca 0.02 -0.58 0.03 0.00 2.66 0.00 0.00 56.10 58.24 1x5x s TRP 28 Cb -0.13 -0.80 -0.03 0.00 -3.10 0.00 0.00 33.47 29.41 1x5x s TRP 28 CO -0.16 0.36 0.10 -1.54 -2.66 0.00 0.00 176.95 173.05 1x5x s SER 29 N -3.32 2.81 0.72 -2.66 1.04 -1.26 -4.49 113.70 106.54 1x5x s SER 29 Ca 0.23 -1.60 -0.11 0.00 0.48 0.00 0.00 55.95 54.94 1x5x s SER 29 Cb -0.01 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.51 1x5x s SER 29 CO 0.07 -0.85 1.07 -1.59 0.98 0.00 0.00 173.24 172.92 1x5x s LYS 30 N -3.77 2.76 -1.16 4.02 -2.85 -1.26 -4.24 119.74 113.24 1x5x s LYS 30 Ca 0.25 0.91 -0.12 0.00 -1.00 0.00 0.00 55.97 56.01 1x5x s LYS 30 Cb 0.04 -1.97 -0.07 0.00 -2.06 0.00 0.00 37.83 33.77 1x5x s LYS 30 CO 0.14 -1.22 2.30 -0.35 0.10 0.00 0.00 175.35 176.32 1x5x n PRO 31 N -3.20 2.50 -0.34 1.78 -0.04 -1.26 -4.68 135.00 129.76 1x5x n PRO 31 Ca 0.07 -1.95 0.05 0.00 -0.04 0.00 0.00 63.50 61.63 1x5x n PRO 31 Cb 0.54 -2.80 -0.01 0.00 -0.04 0.00 0.00 33.50 31.18 1x5x n PRO 31 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5x n SER 32 N 5.15 -3.12 -4.49 3.54 7.64 -1.26 -4.16 113.62 116.92 1x5x n SER 32 Ca 0.56 0.37 -0.33 0.00 1.01 0.00 0.00 58.87 60.47 1x5x n SER 32 Cb 0.27 -1.20 -0.18 0.00 -1.01 0.00 0.00 64.21 62.09 1x5x n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5x n GLY 33 N -1.17 -0.49 3.74 0.23 0.00 -1.26 -4.83 105.19 101.41 1x5x n GLY 33 Ca 0.00 0.67 -0.32 0.00 0.00 0.00 0.00 46.02 46.37 1x5x n GLY 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5x s THR 34 N 5.21 2.80 -0.00 2.61 -4.23 -1.26 -4.97 115.64 115.80 1x5x s THR 34 Ca 1.34 0.32 -0.21 0.00 -1.18 0.00 0.00 61.69 61.96 1x5x s THR 34 Cb -1.08 -2.73 -0.22 0.00 1.34 0.00 0.00 72.50 69.81 1x5x s THR 34 CO 0.52 -0.28 1.12 1.55 -0.54 0.00 0.00 174.62 176.99 1x5x h PRO 35 N -0.80 0.36 0.06 3.99 0.13 -1.92 -3.36 132.00 130.47 1x5x h PRO 35 Ca -0.45 -0.35 -0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1x5x h PRO 35 Cb 1.26 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1x5x h PRO 35 CO 0.50 1.02 -0.03 1.03 -0.23 0.00 0.00 178.00 180.28 1x5x h SER 36 N -0.17 -0.07 -3.10 1.44 0.87 -1.98 -3.49 113.55 107.04 1x5x h SER 36 Ca -0.05 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1x5x h SER 36 Cb 1.16 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x5x h SER 36 CO 0.09 0.62 -0.01 -0.67 -0.53 0.00 0.00 176.83 176.33 1x5x n ASP 37 N -4.78 -2.26 -0.89 6.23 2.03 -1.26 -5.10 116.55 110.51 1x5x n ASP 37 Ca -0.07 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1x5x n ASP 37 Cb 0.29 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1x5x n ASP 37 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x5x n GLU 38 N -0.79 0.00 -2.16 -0.67 1.02 -1.26 -5.06 120.64 111.72 1x5x n GLU 38 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 1x5x n GLU 38 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 1x5x n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x5x n GLY 39 N 0.00 3.95 3.76 0.62 0.00 -1.26 -4.96 105.19 107.29 1x5x n GLY 39 Ca 0.00 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1x5x n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5x s ILE 40 N 2.75 3.04 0.37 -0.61 1.01 -1.26 -5.00 121.20 121.51 1x5x s ILE 40 Ca 0.47 1.02 0.08 0.00 0.00 0.00 0.00 60.65 62.21 1x5x s ILE 40 Cb 0.09 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 1x5x s ILE 40 CO -0.02 0.23 0.34 -0.44 0.00 0.00 0.00 174.94 175.05 1x5x s SER 41 N -0.47 5.22 -0.07 3.58 0.01 -1.22 -4.83 113.70 115.92 1x5x s SER 41 Ca 0.49 -0.58 -0.03 0.00 1.31 0.00 0.00 55.95 57.13 1x5x s SER 41 Cb -0.37 -0.81 0.04 0.00 0.21 0.00 0.00 66.02 65.10 1x5x s SER 41 CO 0.47 -0.49 0.15 -0.31 0.41 0.00 0.00 173.24 173.47 1x5x s TYR 42 N -2.37 -0.18 -0.31 2.43 1.51 -1.21 -2.48 117.35 114.74 1x5x s TYR 42 Ca 0.44 0.54 -0.13 0.00 -1.01 0.00 0.00 57.07 56.91 1x5x s TYR 42 Cb -0.05 -0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.64 1x5x s TYR 42 CO 0.27 -0.20 0.29 0.42 -1.11 0.00 0.00 175.55 175.22 1x5x s ILE 43 N 1.51 5.24 -0.41 2.71 1.01 0.23 -4.20 121.20 127.28 1x5x s ILE 43 Ca -0.06 0.10 -0.28 0.00 0.00 0.00 0.00 60.65 60.41 1x5x s ILE 43 Cb -0.12 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1x5x s ILE 43 CO -0.06 0.06 1.05 -0.22 0.00 0.00 0.00 174.94 175.77 1x5x s LEU 44 N 1.88 3.84 0.35 2.97 2.96 -1.18 -2.51 118.68 127.00 1x5x s LEU 44 Ca 0.09 0.63 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1x5x s LEU 44 Cb -0.16 -3.45 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 1x5x s LEU 44 CO 0.11 -1.04 0.52 -1.61 -1.32 0.00 0.00 176.35 173.01 1x5x s GLU 45 N 3.94 3.19 -0.26 1.98 2.02 -0.93 0.14 118.70 128.78 1x5x s GLU 45 Ca 0.44 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.54 1x5x s GLU 45 Cb -0.10 -2.74 0.08 0.00 0.10 0.00 0.00 34.13 31.48 1x5x s GLU 45 CO 0.24 0.03 0.64 1.41 0.02 0.00 0.00 175.26 177.59 1x5x s MET 46 N -4.27 0.64 -0.23 1.61 -2.45 0.66 -3.00 119.30 112.27 1x5x s MET 46 Ca 0.44 1.18 -0.00 0.00 -1.25 0.00 0.00 55.69 56.06 1x5x s MET 46 Cb -0.10 0.20 0.03 0.00 1.25 0.00 0.00 34.83 36.21 1x5x s MET 46 CO 0.33 -0.16 -0.11 -2.00 1.05 0.00 0.00 175.02 174.13 1x5x s GLU 47 N 1.76 2.83 -0.30 4.11 -6.30 -1.23 -2.57 118.70 117.00 1x5x s GLU 47 Ca -0.09 -0.96 -0.18 0.00 -2.50 0.00 0.00 54.97 51.23 1x5x s GLU 47 Cb -0.06 -2.83 0.18 0.00 0.00 0.00 0.00 34.13 31.42 1x5x s GLU 47 CO -0.19 -0.35 1.23 -2.00 0.02 0.00 0.00 175.26 173.98 1x5x s GLU 48 N 1.29 0.06 0.00 4.30 -6.30 -1.26 -3.88 118.70 112.90 1x5x s GLU 48 Ca 0.01 0.14 0.00 0.00 -2.50 0.00 0.00 54.97 52.61 1x5x s GLU 48 Cb -0.16 0.08 0.00 0.00 0.00 0.00 0.00 34.13 34.05 1x5x s GLU 48 CO -0.07 -0.04 0.00 0.39 0.02 0.00 0.00 175.26 175.56 1x5x n GLU 49 N 4.96 -1.46 -0.20 4.30 1.02 -1.26 -4.92 120.64 123.09 1x5x n GLU 49 Ca -0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.94 1x5x n GLU 49 Cb 0.55 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.89 1x5x n GLU 49 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1x5x h THR 50 N 0.91 0.02 0.00 2.62 1.35 -2.06 -3.33 112.91 112.43 1x5x h THR 50 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1x5x h THR 50 Cb 0.00 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.44 1x5x h THR 50 CO 0.00 0.00 -0.81 -0.24 -0.25 0.00 0.00 175.52 174.22 1x5x n SER 51 N -5.36 1.85 0.00 5.36 2.88 -1.26 -5.00 113.62 112.08 1x5x n SER 51 Ca -0.01 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1x5x n SER 51 Cb 0.33 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1x5x n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5x n GLY 52 N 1.52 2.23 3.05 0.46 0.00 -1.25 -4.89 105.19 106.30 1x5x n GLY 52 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1x5x n GLY 52 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x5x n TYR 53 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.74 117.16 116.78 1x5x n TYR 53 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1x5x n TYR 53 Cb 0.00 -0.95 0.00 0.00 -0.31 0.00 0.00 39.34 38.08 1x5x n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x5x n GLY 54 N 1.27 -2.20 3.90 2.72 0.00 -1.26 -4.99 105.19 104.63 1x5x n GLY 54 Ca 0.00 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 1x5x n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x5x s PHE 55 N -3.15 3.21 0.05 1.61 0.40 -1.26 -4.83 117.98 114.00 1x5x s PHE 55 Ca 0.00 0.79 0.03 0.00 -0.60 0.00 0.00 56.93 57.16 1x5x s PHE 55 Cb 0.00 -3.02 -0.02 0.00 0.51 0.00 0.00 43.02 40.49 1x5x s PHE 55 CO 0.00 -1.15 -0.11 0.15 0.70 0.00 0.00 175.22 174.81 1x5x s LYS 56 N -5.24 0.67 0.44 0.44 -0.14 -1.06 -4.92 119.74 109.92 1x5x s LYS 56 Ca 0.57 -0.78 -0.22 0.00 -1.36 0.00 0.00 55.97 54.18 1x5x s LYS 56 Cb -0.11 -0.57 -0.09 0.00 -1.68 0.00 0.00 37.83 35.38 1x5x s LYS 56 CO 0.48 0.12 1.05 -1.25 -0.76 0.00 0.00 175.35 174.99 1x5x s PRO 57 N -1.45 4.01 0.02 -1.68 0.04 -1.26 -0.24 135.00 134.43 1x5x s PRO 57 Ca -0.05 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1x5x s PRO 57 Cb -0.09 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1x5x s PRO 57 CO 0.01 -0.27 0.00 1.63 0.04 0.00 0.00 177.00 178.41 1x5x n LYS 58 N -0.45 0.00 -4.35 4.56 4.76 0.12 -4.87 118.16 117.94 1x5x n LYS 58 Ca 0.07 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.26 1x5x n LYS 58 Cb 0.51 -0.37 -0.09 0.00 -1.84 0.00 0.00 35.03 33.24 1x5x n LYS 58 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1x5x s TYR 59 N -2.00 2.55 -0.48 2.13 5.04 -1.13 -4.97 117.35 118.49 1x5x s TYR 59 Ca 0.00 -0.26 0.07 0.00 -2.44 0.00 0.00 57.07 54.44 1x5x s TYR 59 Cb 0.00 -1.16 0.18 0.00 0.35 0.00 0.00 41.96 41.34 1x5x s TYR 59 CO 0.00 0.61 0.67 0.16 -1.34 0.00 0.00 175.55 175.65 1x5x s ASP 60 N -3.37 -1.23 0.25 4.32 -4.77 -1.26 -3.10 116.67 107.52 1x5x s ASP 60 Ca 0.29 -1.53 -0.10 0.00 -3.30 0.00 0.00 52.55 47.91 1x5x s ASP 60 Cb -0.07 1.75 -0.01 0.00 -1.09 0.00 0.00 42.92 43.51 1x5x s ASP 60 CO 0.17 -0.10 0.44 -0.83 0.70 0.00 0.00 175.17 175.55 1x5x s GLY 61 N 1.13 0.74 -0.52 2.12 0.00 -1.26 -5.04 107.32 104.49 1x5x s GLY 61 Ca 0.26 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1x5x s GLY 61 CO -0.06 -0.75 1.95 -1.84 0.00 0.00 0.00 173.10 172.40 1x5x n GLU 62 N -0.39 2.35 -4.11 2.90 0.28 -1.26 -3.30 120.64 117.11 1x5x n GLU 62 Ca -0.01 -2.82 -0.28 0.00 -0.16 0.00 0.00 57.16 53.89 1x5x n GLU 62 Cb 0.62 -2.10 -0.07 0.00 1.43 0.00 0.00 31.44 31.32 1x5x n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1x5x s ASP 63 N -1.25 5.24 -0.44 -1.84 1.01 -1.26 -4.96 116.67 113.17 1x5x s ASP 63 Ca 0.55 -0.18 0.04 0.00 0.71 0.00 0.00 52.55 53.68 1x5x s ASP 63 Cb 0.44 -1.30 0.64 0.00 1.01 0.00 0.00 42.92 43.71 1x5x s ASP 63 CO 0.03 0.12 1.86 0.18 0.21 0.00 0.00 175.17 177.57 1x5x n LEU 64 N 0.07 6.44 -3.64 1.23 4.77 -1.26 -4.76 117.00 119.85 1x5x n LEU 64 Ca -0.09 -3.66 -0.08 0.00 -0.03 0.00 0.00 56.01 52.15 1x5x n LEU 64 Cb 0.54 -0.82 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 1x5x n LEU 64 CO 0.41 1.10 0.74 0.00 -1.33 0.00 0.00 177.39 178.31 1x5x s ALA 65 N -3.32 -2.04 0.09 -1.18 0.00 -1.26 -3.24 121.76 110.82 1x5x s ALA 65 Ca 0.56 1.94 -0.11 0.00 0.00 0.00 0.00 51.96 54.35 1x5x s ALA 65 Cb 0.47 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1x5x s ALA 65 CO 0.09 -0.25 0.24 -0.47 0.00 0.00 0.00 175.76 175.36 1x5x s TYR 66 N 0.45 0.05 -0.47 0.00 5.04 -1.22 -5.06 117.35 116.15 1x5x s TYR 66 Ca 0.01 -0.42 0.03 0.00 -2.44 0.00 0.00 57.07 54.25 1x5x s TYR 66 Cb -0.05 0.02 0.12 0.00 0.35 0.00 0.00 41.96 42.40 1x5x s TYR 66 CO -0.08 -0.56 0.22 0.99 -1.34 0.00 0.00 175.55 174.78 1x5x s THR 67 N -3.61 2.69 -0.28 4.34 2.01 -1.26 -1.97 115.64 117.56 1x5x s THR 67 Ca 0.03 -2.91 -0.28 0.00 0.31 0.00 0.00 61.69 58.84 1x5x s THR 67 Cb 0.03 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 1x5x s THR 67 CO -0.10 -0.74 2.17 -0.69 -0.69 0.00 0.00 174.62 174.57 1x5x s VAL 68 N 0.17 3.09 0.38 3.82 1.01 0.96 -4.78 120.40 125.05 1x5x s VAL 68 Ca 0.15 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.27 1x5x s VAL 68 Cb -0.23 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.09 1x5x s VAL 68 CO -0.03 -0.09 0.53 0.29 0.00 0.00 0.00 175.10 175.80 1x5x n LYS 69 N 8.76 0.71 -3.08 2.72 5.02 -1.26 0.44 118.16 131.46 1x5x n LYS 69 Ca 0.29 -2.00 -0.16 0.00 -2.02 0.00 0.00 58.31 54.42 1x5x n LYS 69 Cb 0.47 -0.17 0.02 0.00 -0.02 0.00 0.00 35.03 35.32 1x5x n LYS 69 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1x5x n ASN 70 N -2.59 -7.17 -2.82 4.39 4.13 -1.04 -4.90 115.26 105.26 1x5x n ASN 70 Ca 0.11 0.24 -0.16 0.00 1.68 0.00 0.00 54.58 56.45 1x5x n ASN 70 Cb 0.39 -4.24 -0.06 0.00 -1.54 0.00 0.00 39.78 34.33 1x5x n ASN 70 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x5x n LEU 71 N -0.49 0.00 -4.49 3.41 4.77 -0.83 -4.99 117.00 114.38 1x5x n LEU 71 Ca 0.04 -2.39 -0.24 0.00 -0.03 0.00 0.00 56.01 53.38 1x5x n LEU 71 Cb 0.53 1.16 -0.10 0.00 -2.33 0.00 0.00 43.42 42.69 1x5x n LEU 71 CO 0.51 -0.39 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.60 1x5x s ARG 72 N -3.06 1.73 0.33 3.23 0.52 -1.26 -4.62 118.95 115.83 1x5x s ARG 72 Ca 0.27 -1.80 -0.15 0.00 -0.52 0.00 0.00 55.73 53.52 1x5x s ARG 72 Cb 0.01 -1.76 -0.09 0.00 0.52 0.00 0.00 34.95 33.63 1x5x s ARG 72 CO 0.19 0.28 0.75 -0.98 0.02 0.00 0.00 175.30 175.57 1x5x s ARG 73 N -3.54 4.01 -0.80 3.54 3.03 -1.21 -4.35 118.95 119.63 1x5x s ARG 73 Ca 0.31 0.70 -0.02 0.00 2.03 0.00 0.00 55.73 58.74 1x5x s ARG 73 Cb -0.03 -2.41 0.00 0.00 -1.03 0.00 0.00 34.95 31.48 1x5x s ARG 73 CO 0.16 0.14 0.61 0.45 -1.13 0.00 0.00 175.30 175.52 1x5x n SER 74 N -0.41 -4.96 -3.86 -2.89 2.88 -0.95 -4.94 113.62 98.49 1x5x n SER 74 Ca 0.04 -0.90 -0.10 0.00 -1.33 0.00 0.00 58.87 56.58 1x5x n SER 74 Cb 0.53 -1.77 -0.05 0.00 -0.75 0.00 0.00 64.21 62.17 1x5x n SER 74 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x5x s THR 75 N -2.90 0.00 0.08 2.46 2.01 -1.26 -4.98 115.64 111.04 1x5x s THR 75 Ca 0.02 -1.49 0.10 0.00 0.31 0.00 0.00 61.69 60.63 1x5x s THR 75 Cb -0.00 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1x5x s THR 75 CO 0.89 0.00 -0.26 -1.59 -0.69 0.00 0.00 174.62 172.97 1x5x s LYS 76 N -3.81 1.58 -0.11 4.92 0.00 -1.26 -3.37 119.74 117.68 1x5x s LYS 76 Ca 0.25 -1.19 -0.13 0.00 0.00 0.00 0.00 55.97 54.89 1x5x s LYS 76 Cb -0.00 -1.88 0.03 0.00 0.00 0.00 0.00 37.83 35.98 1x5x s LYS 76 CO 0.11 0.47 0.36 0.71 0.00 0.00 0.00 175.35 177.00 1x5x s TYR 77 N -0.92 -0.36 0.16 1.78 2.02 -1.04 -5.02 117.35 113.96 1x5x s TYR 77 Ca 0.12 0.83 -0.05 0.00 -0.37 0.00 0.00 57.07 57.60 1x5x s TYR 77 Cb -0.10 0.13 -0.06 0.00 -0.40 0.00 0.00 41.96 41.54 1x5x s TYR 77 CO 0.04 -0.24 0.40 0.21 -1.57 0.00 0.00 175.55 174.38 1x5x s LYS 78 N -0.15 3.62 -0.16 -0.62 2.20 -1.25 -2.19 119.74 121.19 1x5x s LYS 78 Ca -0.03 -0.09 -0.14 0.00 -0.36 0.00 0.00 55.97 55.35 1x5x s LYS 78 Cb -0.03 -2.83 0.04 0.00 -1.51 0.00 0.00 37.83 33.51 1x5x s LYS 78 CO 0.01 0.44 0.42 -0.06 -0.36 0.00 0.00 175.35 175.80 1x5x s PHE 79 N -1.71 -0.48 -0.02 4.03 0.08 -0.50 -3.50 117.98 115.89 1x5x s PHE 79 Ca 0.41 1.14 -0.00 0.00 0.12 0.00 0.00 56.93 58.61 1x5x s PHE 79 Cb -0.12 0.17 0.02 0.00 -0.57 0.00 0.00 43.02 42.52 1x5x s PHE 79 CO 0.25 -0.24 0.02 -1.59 -0.10 0.00 0.00 175.22 173.57 1x5x s LYS 80 N 0.38 -0.02 -0.37 0.44 -2.85 -1.16 -0.93 119.74 115.23 1x5x s LYS 80 Ca -0.01 0.14 -0.21 0.00 -1.00 0.00 0.00 55.97 54.89 1x5x s LYS 80 Cb -0.04 -0.17 0.01 0.00 -2.06 0.00 0.00 37.83 35.57 1x5x s LYS 80 CO -0.01 -0.12 0.65 0.54 0.10 0.00 0.00 175.35 176.51 1x5x s VAL 81 N 0.76 4.87 -0.27 1.79 0.11 -1.26 -2.19 120.40 124.20 1x5x s VAL 81 Ca -0.06 0.57 -0.08 0.00 -2.93 0.00 0.00 61.98 59.48 1x5x s VAL 81 Cb -0.09 -4.10 -0.01 0.00 -1.53 0.00 0.00 36.38 30.64 1x5x s VAL 81 CO -0.02 -0.36 0.09 -0.63 -3.33 0.00 0.00 175.10 170.85 1x5x s ILE 82 N 2.76 4.26 -0.31 7.04 1.01 -1.04 -2.71 121.20 132.20 1x5x s ILE 82 Ca 0.25 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 1x5x s ILE 82 Cb -0.14 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 1x5x s ILE 82 CO 0.15 0.22 0.50 0.00 0.00 0.00 0.00 174.94 175.82 1x5x s ALA 83 N 1.58 3.52 0.27 9.38 0.00 -1.26 -0.60 121.76 134.65 1x5x s ALA 83 Ca 0.05 -0.85 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1x5x s ALA 83 Cb -0.16 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 1x5x s ALA 83 CO 0.04 -1.00 -0.10 1.52 0.00 0.00 0.00 175.76 176.21 1x5x s TYR 84 N 2.34 2.02 0.14 0.00 -0.85 -1.04 -3.14 117.35 116.82 1x5x s TYR 84 Ca 0.19 -0.59 0.09 0.00 -0.52 0.00 0.00 57.07 56.25 1x5x s TYR 84 Cb -0.15 -1.07 -0.04 0.00 0.38 0.00 0.00 41.96 41.08 1x5x s TYR 84 CO 0.12 0.41 -0.22 -0.80 -1.52 0.00 0.00 175.55 173.54 1x5x s ASN 85 N -3.45 2.85 0.64 -0.18 -0.87 0.54 -3.41 114.94 111.07 1x5x s ASN 85 Ca 0.28 -0.78 0.25 0.00 -1.57 0.00 0.00 52.86 51.05 1x5x s ASN 85 Cb 0.01 -0.18 1.30 0.00 -0.02 0.00 0.00 41.25 42.36 1x5x s ASN 85 CO 0.12 0.06 1.73 0.28 -2.57 0.00 0.00 177.10 176.72 1x5x h SER 86 N 3.66 0.00 0.12 -1.22 0.02 -1.99 0.43 113.55 114.57 1x5x h SER 86 Ca -0.46 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.33 1x5x h SER 86 Cb 1.19 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.75 1x5x h SER 86 CO 0.44 0.00 -0.72 -0.33 -1.14 0.00 0.00 176.83 175.08 1x5x h GLU 87 N 0.00 0.25 0.00 3.45 5.08 -2.05 -3.49 114.58 117.82 1x5x h GLU 87 Ca 0.10 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1x5x h GLU 87 Cb 1.17 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1x5x h GLU 87 CO -0.00 1.20 0.00 0.41 -1.00 0.00 0.00 179.01 179.62 1x5x n GLY 88 N 1.66 1.74 3.87 -3.84 0.00 0.15 -5.15 105.19 103.63 1x5x n GLY 88 Ca -0.14 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 1x5x n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5x s LYS 89 N -0.89 2.25 0.00 1.61 -0.14 -1.26 0.20 119.74 121.51 1x5x s LYS 89 Ca 0.00 -2.08 0.00 0.00 -1.36 0.00 0.00 55.97 52.53 1x5x s LYS 89 Cb 0.00 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 34.16 1x5x s LYS 89 CO 0.00 -0.54 0.00 0.43 -0.76 0.00 0.00 175.35 174.48 1x5x n SER 90 N -1.64 0.48 -4.79 2.83 7.64 -1.19 -2.98 113.62 113.97 1x5x n SER 90 Ca -0.05 -0.71 -0.36 0.00 1.01 0.00 0.00 58.87 58.76 1x5x n SER 90 Cb 0.65 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.78 1x5x n SER 90 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1x5x s ASN 91 N -0.41 7.24 0.63 6.43 -0.87 -1.26 -4.88 114.94 121.82 1x5x s ASN 91 Ca 0.00 1.78 -0.14 0.00 -1.57 0.00 0.00 52.86 52.94 1x5x s ASN 91 Cb 0.00 -2.56 -0.02 0.00 -0.02 0.00 0.00 41.25 38.65 1x5x s ASN 91 CO 0.00 -0.12 1.05 -2.16 -2.57 0.00 0.00 177.10 173.30 1x5x s PRO 92 N -2.29 3.20 0.76 -0.60 0.04 -1.26 -4.50 135.00 130.35 1x5x s PRO 92 Ca 0.52 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 1x5x s PRO 92 Cb -0.16 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.48 1x5x s PRO 92 CO 0.21 -0.89 1.05 -1.12 0.04 0.00 0.00 177.00 176.29 1x5x s SER 93 N -3.25 4.22 0.12 6.66 0.01 -1.10 -4.96 113.70 115.40 1x5x s SER 93 Ca 0.61 -0.06 -0.34 0.00 1.31 0.00 0.00 55.95 57.47 1x5x s SER 93 Cb -0.15 -0.33 -0.13 0.00 0.21 0.00 0.00 66.02 65.62 1x5x s SER 93 CO 0.44 -1.96 1.66 -0.62 0.41 0.00 0.00 173.24 173.17 1x5x n GLU 94 N -3.02 2.23 -2.23 12.44 1.02 -1.26 -4.70 120.64 125.12 1x5x n GLU 94 Ca 0.13 0.81 -0.43 0.00 -0.02 0.00 0.00 57.16 57.65 1x5x n GLU 94 Cb 0.60 -2.60 -0.02 0.00 -0.02 0.00 0.00 31.44 29.39 1x5x n GLU 94 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x5x s VAL 95 N 1.63 3.89 0.54 2.62 1.01 -1.26 -4.71 120.40 124.12 1x5x s VAL 95 Ca 0.81 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.90 1x5x s VAL 95 Cb -0.66 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 31.94 1x5x s VAL 95 CO 0.40 -0.29 0.62 0.68 0.00 0.00 0.00 175.10 176.51 1x5x s VAL 96 N 4.57 2.10 0.04 2.92 -7.23 -0.10 -4.93 120.40 117.77 1x5x s VAL 96 Ca 0.65 -1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 59.58 1x5x s VAL 96 Cb -0.23 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 1x5x s VAL 96 CO 0.25 0.00 0.09 -0.70 -0.31 0.00 0.00 175.10 174.43 1x5x s GLU 97 N -4.47 0.57 0.06 4.82 2.12 -1.26 -1.41 118.70 119.13 1x5x s GLU 97 Ca 0.51 -0.75 -0.12 0.00 0.36 0.00 0.00 54.97 54.97 1x5x s GLU 97 Cb -0.05 0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.58 1x5x s GLU 97 CO 0.32 -0.14 0.28 -0.06 -0.54 0.00 0.00 175.26 175.12 1x5x s PHE 98 N -2.56 -0.05 0.29 5.30 0.08 -0.93 -5.01 117.98 115.11 1x5x s PHE 98 Ca -0.05 -0.16 0.08 0.00 0.12 0.00 0.00 56.93 56.92 1x5x s PHE 98 Cb -0.01 0.07 -0.06 0.00 -0.57 0.00 0.00 43.02 42.44 1x5x s PHE 98 CO -0.04 -0.51 -0.09 0.99 -0.10 0.00 0.00 175.22 175.46 1x5x s THR 99 N -2.86 1.86 0.49 0.64 2.01 -1.26 -2.51 115.64 114.02 1x5x s THR 99 Ca -0.03 -2.18 0.06 0.00 0.31 0.00 0.00 61.69 59.85 1x5x s THR 99 Cb 0.00 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.07 1x5x s THR 99 CO -0.05 -0.31 0.31 0.42 -0.69 0.00 0.00 174.62 174.29 1x5x s THR 100 N -2.87 1.92 0.65 -0.82 -4.23 -1.22 -4.78 115.64 104.30 1x5x s THR 100 Ca 0.30 -1.57 -0.05 0.00 -1.18 0.00 0.00 61.69 59.19 1x5x s THR 100 Cb 0.02 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.42 1x5x s THR 100 CO 0.13 0.00 0.95 0.00 -0.54 0.00 0.00 174.62 175.15 1x5x s PRO 102 N -5.11 3.54 0.06 0.00 0.04 -1.26 -2.24 135.00 130.03 1x5x s PRO 102 Ca 0.58 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 1x5x s PRO 102 Cb -0.11 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1x5x s PRO 102 CO 0.44 -0.63 0.00 0.34 0.04 0.00 0.00 177.00 177.19 1x5x s ASP 103 N -2.53 0.44 0.26 6.66 2.15 -1.26 -4.92 116.67 117.46 1x5x s ASP 103 Ca 0.64 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.67 1x5x s ASP 103 Cb -0.16 0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 1x5x s ASP 103 CO 0.30 -0.62 0.00 -0.24 -0.17 0.00 0.00 175.17 174.45 1x5x n SER 104 N 0.08 -1.64 -3.24 -0.34 2.88 -1.26 -5.04 113.62 105.07 1x5x n SER 104 Ca -0.14 0.48 -0.03 0.00 -1.33 0.00 0.00 58.87 57.84 1x5x n SER 104 Cb 0.61 1.69 -0.04 0.00 -0.75 0.00 0.00 64.21 65.72 1x5x n SER 104 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5x s GLY 105 N -3.29 -0.83 0.15 0.46 0.00 -1.26 -5.14 107.32 97.41 1x5x s GLY 105 Ca 0.00 0.76 -0.30 0.00 0.00 0.00 0.00 44.72 45.18 1x5x s GLY 105 CO 0.00 3.25 1.13 2.56 0.00 0.00 0.00 173.10 180.03 1x5x s PRO 106 N 2.67 4.55 0.85 2.90 0.04 -1.26 -5.02 135.00 139.73 1x5x s PRO 106 Ca 0.11 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 1x5x s PRO 106 Cb -0.12 -3.29 0.10 0.00 0.04 0.00 0.00 34.50 31.23 1x5x s PRO 106 CO -0.26 -0.01 1.09 -1.12 0.04 0.00 0.00 177.00 176.74 1x5x s SER 107 N 0.17 3.83 -1.00 6.66 0.01 -1.26 -4.89 113.70 117.22 1x5x s SER 107 Ca 0.52 1.64 -0.23 0.00 1.31 0.00 0.00 55.95 59.18 1x5x s SER 107 Cb -0.30 -2.32 -0.00 0.00 0.21 0.00 0.00 66.02 63.61 1x5x s SER 107 CO 0.34 -2.44 1.73 -0.44 0.41 0.00 0.00 173.24 172.84 1x5x s SER 108 N -3.38 5.80 0.00 2.44 0.01 -1.26 -5.29 113.70 112.02 1x5x s SER 108 Ca 0.63 -1.20 0.05 0.00 1.31 0.00 0.00 55.95 56.73 1x5x s SER 108 Cb -0.18 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.52 1x5x s SER 108 CO 0.57 -2.16 0.64 0.61 0.41 0.00 0.00 173.24 173.30