#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5x s SER 2 N 0.00 0.64 -0.16 1.61 0.15 -1.26 -5.13 113.70 109.55 1x5x s SER 2 Ca 0.00 -0.29 -0.04 0.00 0.70 0.00 0.00 55.95 56.31 1x5x s SER 2 Cb 0.00 -0.01 0.06 0.00 -1.71 0.00 0.00 66.02 64.36 1x5x s SER 2 CO 0.00 -0.07 0.11 -0.44 1.20 0.00 0.00 173.24 174.04 1x5x s SER 3 N -0.77 2.01 0.00 5.45 0.01 -1.26 -5.02 113.70 114.13 1x5x s SER 3 Ca -0.04 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1x5x s SER 3 Cb -0.05 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1x5x s SER 3 CO 0.00 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1x5x n GLY 4 N 5.29 -1.51 3.65 3.44 0.00 -1.26 -5.12 105.19 109.67 1x5x n GLY 4 Ca -0.06 0.66 -0.43 0.00 0.00 0.00 0.00 46.02 46.19 1x5x n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5x s SER 5 N 0.00 6.71 -0.29 1.61 1.04 -1.26 -4.94 113.70 116.56 1x5x s SER 5 Ca 0.00 1.67 0.06 0.00 0.48 0.00 0.00 55.95 58.15 1x5x s SER 5 Cb 0.00 -2.54 0.20 0.00 0.10 0.00 0.00 66.02 63.78 1x5x s SER 5 CO 0.00 -0.97 0.60 -0.44 0.98 0.00 0.00 173.24 173.41 1x5x s SER 6 N 2.91 -1.60 0.00 7.02 0.01 -1.26 -5.10 113.70 115.68 1x5x s SER 6 Ca 0.62 0.16 0.00 0.00 1.31 0.00 0.00 55.95 58.04 1x5x s SER 6 Cb -0.23 2.01 0.00 0.00 0.21 0.00 0.00 66.02 68.01 1x5x s SER 6 CO 0.22 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1x5x n GLY 7 N 5.39 2.77 3.76 3.44 0.00 -1.26 -4.90 105.19 114.39 1x5x n GLY 7 Ca 0.05 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 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 3.05 -0.62 0.34 1.61 0.04 -1.26 -5.06 135.00 133.11 1x5x s PRO 8 Ca 0.00 -0.37 -0.02 0.00 0.04 0.00 0.00 61.00 60.65 1x5x s PRO 8 Cb 0.00 -1.69 0.07 0.00 0.04 0.00 0.00 34.50 32.92 1x5x s PRO 8 CO 0.00 -3.26 0.47 0.43 0.04 0.00 0.00 177.00 174.68 1x5x n SER 9 N -4.38 0.45 -4.67 6.66 7.64 -1.26 -4.85 113.62 113.21 1x5x n SER 9 Ca 0.16 -1.42 -0.42 0.00 1.01 0.00 0.00 58.87 58.20 1x5x n SER 9 Cb 0.59 -0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 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 -3.74 4.19 0.65 1.43 1.75 -1.26 -4.66 119.30 117.66 1x5x s MET 10 Ca 0.30 2.19 -0.11 0.00 -1.25 0.00 0.00 55.69 56.82 1x5x s MET 10 Cb -0.01 -3.92 0.16 0.00 2.84 0.00 0.00 34.83 33.90 1x5x s MET 10 CO 0.20 -0.82 0.72 -0.35 -0.65 0.00 0.00 175.02 174.13 1x5x n PRO 11 N 6.85 -1.51 -3.89 4.11 -0.04 -1.26 -4.51 135.00 134.75 1x5x n PRO 11 Ca 0.17 -1.13 -0.36 0.00 -0.04 0.00 0.00 63.50 62.14 1x5x n PRO 11 Cb 0.43 -0.89 -0.07 0.00 -0.04 0.00 0.00 33.50 32.92 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 -3.51 3.74 0.39 0.55 0.00 -1.25 -4.84 121.76 116.84 1x5x s ALA 12 Ca 0.43 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 1x5x s ALA 12 Cb -0.03 -1.98 -0.14 0.00 0.00 0.00 0.00 23.12 20.97 1x5x s ALA 12 CO 0.32 0.45 0.50 0.43 0.00 0.00 0.00 175.76 177.46 1x5x n SER 13 N 2.55 -1.09 -4.70 0.00 7.64 -1.26 -4.37 113.62 112.39 1x5x n SER 13 Ca -0.19 0.94 -0.42 0.00 1.01 0.00 0.00 58.87 60.21 1x5x n SER 13 Cb 0.54 -1.07 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 1x5x n SER 13 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x5x s PRO 14 N -1.42 4.38 0.89 1.43 0.04 -1.26 -4.75 135.00 134.30 1x5x s PRO 14 Ca 0.62 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 63.24 1x5x s PRO 14 Cb -0.65 -3.50 0.17 0.00 0.04 0.00 0.00 34.50 30.56 1x5x s PRO 14 CO 0.59 -0.39 1.24 0.14 0.04 0.00 0.00 177.00 178.62 1x5x s VAL 15 N 1.86 2.04 -0.60 -0.36 -7.23 0.23 -4.77 120.40 111.57 1x5x s VAL 15 Ca 0.57 -0.11 0.04 0.00 -1.81 0.00 0.00 61.98 60.67 1x5x s VAL 15 Cb -0.26 -2.92 0.17 0.00 0.56 0.00 0.00 36.38 33.92 1x5x s VAL 15 CO 0.24 0.00 0.43 -0.22 -0.31 0.00 0.00 175.10 175.24 1x5x s LEU 16 N -5.70 3.74 0.12 1.32 2.96 -1.26 -1.45 118.68 118.41 1x5x s LEU 16 Ca 0.71 -3.54 -0.26 0.00 -0.22 0.00 0.00 54.13 50.82 1x5x s LEU 16 Cb -0.05 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 1x5x s LEU 16 CO 0.51 -0.12 1.63 0.71 -1.32 0.00 0.00 176.35 177.75 1x5x h THR 17 N 4.55 0.38 -3.80 3.68 1.35 -1.68 -3.43 112.91 113.97 1x5x h THR 17 Ca 0.16 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.76 1x5x h THR 17 Cb 0.81 0.38 -0.28 0.00 -1.73 0.00 0.00 68.15 67.34 1x5x h THR 17 CO 0.61 0.00 -0.73 -0.75 -0.25 0.00 0.00 175.52 174.40 1x5x s LYS 18 N -6.05 0.15 -0.24 4.72 2.20 -1.12 -5.06 119.74 114.35 1x5x s LYS 18 Ca -0.15 -0.09 -0.03 0.00 -0.36 0.00 0.00 55.97 55.33 1x5x s LYS 18 Cb 0.09 -0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.29 1x5x s LYS 18 CO 0.66 0.03 -0.04 0.00 -0.36 0.00 0.00 175.35 175.64 1x5x s ALA 19 N -0.11 2.79 0.61 3.13 0.00 -1.26 -1.43 121.76 125.49 1x5x s ALA 19 Ca -0.00 -1.32 0.08 0.00 0.00 0.00 0.00 51.96 50.72 1x5x s ALA 19 Cb -0.01 -1.74 0.10 0.00 0.00 0.00 0.00 23.12 21.46 1x5x s ALA 19 CO -0.00 -0.64 0.84 0.20 0.00 0.00 0.00 175.76 176.16 1x5x s GLY 20 N 1.42 1.73 -0.10 0.00 0.00 0.43 -4.59 107.32 106.21 1x5x s GLY 20 Ca 0.03 -2.08 -0.26 0.00 0.00 0.00 0.00 44.72 42.41 1x5x s GLY 20 CO -0.03 -1.59 0.83 -2.22 0.00 0.00 0.00 173.10 170.09 1x5x h ILE 21 N 0.02 1.68 0.00 0.90 2.04 -1.90 -3.13 117.51 117.13 1x5x h ILE 21 Ca -0.31 -2.38 -0.00 0.00 1.00 0.00 0.00 64.86 63.17 1x5x h ILE 21 Cb 1.28 3.28 -0.01 0.00 -0.74 0.00 0.00 36.82 40.63 1x5x h ILE 21 CO 0.40 0.64 -0.51 0.35 0.00 0.00 0.00 178.15 179.03 1x5x n THR 22 N -4.44 2.15 -3.49 -0.27 -2.24 -1.26 -3.62 114.28 101.12 1x5x n THR 22 Ca -0.11 -3.18 -0.12 0.00 -2.27 0.00 0.00 64.05 58.36 1x5x n THR 22 Cb 0.60 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 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 -3.15 -0.49 -0.15 4.78 1.48 -1.26 -3.15 118.94 117.00 1x5x s TRP 23 Ca 0.38 0.52 -0.04 0.00 -1.06 0.00 0.00 56.10 55.89 1x5x s TRP 23 Cb 0.37 0.51 0.07 0.00 -1.16 0.00 0.00 33.47 33.26 1x5x s TRP 23 CO -0.07 -0.64 0.18 -0.51 -4.06 0.00 0.00 176.95 171.85 1x5x s LEU 24 N -2.11 -0.05 -0.55 -4.66 1.43 -1.04 -0.43 118.68 111.28 1x5x s LEU 24 Ca -0.01 -0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1x5x s LEU 24 Cb -0.01 0.28 0.07 0.00 0.03 0.00 0.00 46.19 46.56 1x5x s LEU 24 CO -0.05 -0.29 0.76 -0.44 0.23 0.00 0.00 176.35 176.55 1x5x s SER 25 N 2.29 6.23 0.30 2.29 0.01 -0.51 -1.91 113.70 122.41 1x5x s SER 25 Ca 0.05 -0.91 0.06 0.00 1.31 0.00 0.00 55.95 56.46 1x5x s SER 25 Cb -0.14 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 1x5x s SER 25 CO -0.09 -1.09 0.40 -0.76 0.41 0.00 0.00 173.24 172.12 1x5x s LEU 26 N 3.12 4.03 -0.04 2.44 1.43 -1.16 -1.82 118.68 126.68 1x5x s LEU 26 Ca 0.19 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1x5x s LEU 26 Cb -0.18 -2.71 0.03 0.00 0.03 0.00 0.00 46.19 43.36 1x5x s LEU 26 CO 0.12 -0.30 0.07 -1.58 0.23 0.00 0.00 176.35 174.90 1x5x s GLN 27 N -4.08 -0.03 0.17 1.70 -0.44 -0.53 -3.47 119.66 112.98 1x5x s GLN 27 Ca 0.41 0.34 0.05 0.00 -2.50 0.00 0.00 55.36 53.66 1x5x s GLN 27 Cb -0.09 -0.36 -0.05 0.00 -1.64 0.00 0.00 33.01 30.88 1x5x s GLN 27 CO 0.30 -0.26 -0.11 1.67 0.50 0.00 0.00 175.29 177.39 1x5x s TRP 28 N 1.72 1.39 0.36 1.67 -2.14 -1.21 0.75 118.94 121.48 1x5x s TRP 28 Ca -0.01 -0.72 0.04 0.00 2.66 0.00 0.00 56.10 58.07 1x5x s TRP 28 Cb -0.12 -0.69 -0.06 0.00 -3.10 0.00 0.00 33.47 29.49 1x5x s TRP 28 CO -0.04 0.15 0.06 -1.12 -2.66 0.00 0.00 176.95 173.34 1x5x s SER 29 N -3.21 2.73 0.89 -2.66 0.01 -1.26 -4.59 113.70 105.60 1x5x s SER 29 Ca 0.19 -1.43 -0.10 0.00 1.31 0.00 0.00 55.95 55.92 1x5x s SER 29 Cb 0.02 -0.02 0.13 0.00 0.21 0.00 0.00 66.02 66.36 1x5x s SER 29 CO 0.02 -0.64 1.13 -1.59 0.41 0.00 0.00 173.24 172.57 1x5x s LYS 30 N -3.84 1.25 -1.14 12.44 -2.85 -1.26 -3.85 119.74 120.49 1x5x s LYS 30 Ca 0.33 1.41 -0.22 0.00 -1.00 0.00 0.00 55.97 56.49 1x5x s LYS 30 Cb 0.08 -1.76 -0.00 0.00 -2.06 0.00 0.00 37.83 34.08 1x5x s LYS 30 CO 0.15 -2.42 1.78 -1.25 0.10 0.00 0.00 175.35 173.70 1x5x s PRO 31 N -4.71 3.19 1.12 1.78 0.04 -1.26 -4.40 135.00 130.75 1x5x s PRO 31 Ca 0.65 -1.26 0.00 0.00 0.04 0.00 0.00 61.00 60.44 1x5x s PRO 31 Cb -0.21 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.00 1x5x s PRO 31 CO 0.58 -2.98 0.00 0.43 0.04 0.00 0.00 177.00 175.07 1x5x n SER 32 N 11.33 -2.58 -0.13 6.66 7.64 -1.26 -3.42 113.62 131.86 1x5x n SER 32 Ca 0.43 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.28 1x5x n SER 32 Cb 0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.00 -2.20 1.27 0.23 0.00 -1.26 -4.89 105.19 98.33 1x5x n GLY 33 Ca 0.00 0.63 0.14 0.00 0.00 0.00 0.00 46.02 46.79 1x5x n GLY 33 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x5x n THR 34 N -3.64 -0.49 -0.03 2.61 5.66 -1.22 -4.68 114.28 112.49 1x5x n THR 34 Ca 0.01 0.63 -0.13 0.00 -3.05 0.00 0.00 64.05 61.51 1x5x n THR 34 Cb 0.08 -1.02 -0.11 0.00 -1.55 0.00 0.00 70.33 67.73 1x5x n THR 34 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1x5x h PRO 35 N -1.35 -0.03 -6.57 1.09 0.13 -1.91 -3.42 132.00 119.95 1x5x h PRO 35 Ca -0.13 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.44 1x5x h PRO 35 Cb 1.18 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1x5x h PRO 35 CO 0.05 0.67 0.90 -1.12 -0.23 0.00 0.00 178.00 178.28 1x5x s SER 36 N -5.90 6.53 0.01 1.44 0.01 -1.26 -4.91 113.70 109.62 1x5x s SER 36 Ca -0.16 0.24 -0.17 0.00 1.31 0.00 0.00 55.95 57.17 1x5x s SER 36 Cb -0.01 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.59 1x5x s SER 36 CO 0.64 -1.33 1.01 0.44 0.41 0.00 0.00 173.24 174.41 1x5x h ASP 37 N 9.35 -0.53 -2.71 2.44 5.19 -1.83 -3.45 116.42 124.88 1x5x h ASP 37 Ca -0.24 0.02 -0.52 0.00 -0.62 0.00 0.00 57.03 55.67 1x5x h ASP 37 Cb 1.06 0.14 -0.14 0.00 0.18 0.00 0.00 39.33 40.57 1x5x h ASP 37 CO 1.14 -0.30 -0.67 -1.61 -3.12 0.00 0.00 179.24 174.68 1x5x s GLU 38 N -3.94 1.62 0.00 3.56 0.41 -1.26 -4.76 118.70 114.33 1x5x s GLU 38 Ca -0.09 -1.83 0.00 0.00 -0.41 0.00 0.00 54.97 52.64 1x5x s GLU 38 Cb 0.01 -1.27 0.00 0.00 -1.78 0.00 0.00 34.13 31.09 1x5x s GLU 38 CO 0.27 0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.50 1x5x n GLY 39 N -0.64 3.11 3.76 -1.39 0.00 -1.26 -5.05 105.19 103.72 1x5x n GLY 39 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.80 2.15 0.03 -0.61 1.01 -1.26 -4.91 121.20 114.80 1x5x s ILE 40 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1x5x s ILE 40 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1x5x s ILE 40 CO 0.00 0.02 0.11 -0.44 0.00 0.00 0.00 174.94 174.63 1x5x s SER 41 N 0.31 5.78 -0.06 3.58 0.01 -1.20 -4.64 113.70 117.47 1x5x s SER 41 Ca 0.60 0.13 0.02 0.00 1.31 0.00 0.00 55.95 58.00 1x5x s SER 41 Cb -0.47 -1.66 0.02 0.00 0.21 0.00 0.00 66.02 64.12 1x5x s SER 41 CO 0.51 0.22 -0.09 -0.31 0.41 0.00 0.00 173.24 173.98 1x5x s TYR 42 N -1.32 1.24 -0.31 2.43 1.51 -1.08 -1.32 117.35 118.50 1x5x s TYR 42 Ca 0.27 -0.45 -0.14 0.00 -1.01 0.00 0.00 57.07 55.74 1x5x s TYR 42 Cb -0.12 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 1x5x s TYR 42 CO 0.19 -0.27 0.30 0.42 -1.11 0.00 0.00 175.55 175.08 1x5x s ILE 43 N 0.83 5.22 -0.50 2.71 1.01 0.49 -4.12 121.20 126.85 1x5x s ILE 43 Ca -0.12 0.18 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 1x5x s ILE 43 Cb -0.15 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.65 1x5x s ILE 43 CO 0.02 0.08 1.05 -0.22 0.00 0.00 0.00 174.94 175.86 1x5x s LEU 44 N 1.92 3.79 0.40 2.97 2.96 -1.22 -1.10 118.68 128.40 1x5x s LEU 44 Ca 0.11 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.25 1x5x s LEU 44 Cb -0.16 -3.29 -0.00 0.00 0.50 0.00 0.00 46.19 43.23 1x5x s LEU 44 CO 0.11 -1.21 0.58 -1.61 -1.32 0.00 0.00 176.35 172.89 1x5x s GLU 45 N 4.23 3.07 -0.28 1.98 2.02 -0.20 -1.26 118.70 128.27 1x5x s GLU 45 Ca 0.41 -0.75 -0.22 0.00 0.02 0.00 0.00 54.97 54.44 1x5x s GLU 45 Cb -0.09 -2.68 0.09 0.00 0.10 0.00 0.00 34.13 31.55 1x5x s GLU 45 CO 0.28 -0.13 0.79 1.41 0.02 0.00 0.00 175.26 177.63 1x5x s MET 46 N -4.38 0.71 -0.11 1.61 -2.45 -0.81 -2.05 119.30 111.81 1x5x s MET 46 Ca 0.47 0.95 -0.00 0.00 -1.25 0.00 0.00 55.69 55.86 1x5x s MET 46 Cb -0.10 0.29 0.02 0.00 1.25 0.00 0.00 34.83 36.29 1x5x s MET 46 CO 0.35 -0.10 -0.08 -2.00 1.05 0.00 0.00 175.02 174.23 1x5x s GLU 47 N 0.74 1.55 0.05 4.11 -6.30 -0.90 -2.69 118.70 115.26 1x5x s GLU 47 Ca -0.03 -0.27 0.00 0.00 -2.50 0.00 0.00 54.97 52.17 1x5x s GLU 47 Cb -0.05 -1.57 0.00 0.00 0.00 0.00 0.00 34.13 32.51 1x5x s GLU 47 CO -0.07 -0.24 0.00 -1.91 0.02 0.00 0.00 175.26 173.07 1x5x n GLU 48 N 4.83 0.00 0.17 4.30 4.07 -1.26 -3.74 120.64 129.01 1x5x n GLU 48 Ca -0.14 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.87 1x5x n GLU 48 Cb 0.50 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.83 1x5x n GLU 48 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1x5x h GLU 49 N 0.00 -0.52 -6.23 5.31 4.57 -1.97 -3.44 114.58 112.30 1x5x h GLU 49 Ca 0.00 0.04 -0.54 0.00 -1.18 0.00 0.00 59.36 57.67 1x5x h GLU 49 Cb 0.00 0.12 0.23 0.00 -0.16 0.00 0.00 28.75 28.94 1x5x h GLU 49 CO 0.00 -0.35 -1.48 0.25 -1.18 0.00 0.00 179.01 176.25 1x5x n THR 50 N -3.90 0.01 -0.07 0.32 -2.24 -1.26 -4.82 114.28 102.31 1x5x n THR 50 Ca -0.07 -0.41 -0.02 0.00 -2.27 0.00 0.00 64.05 61.29 1x5x n THR 50 Cb 0.24 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 1x5x n THR 50 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1x5x h SER 51 N -1.16 -0.38 0.00 3.42 4.64 -1.95 -3.45 113.55 114.67 1x5x h SER 51 Ca -0.44 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1x5x h SER 51 Cb 1.30 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1x5x h SER 51 CO 0.26 -0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 1x5x n GLY 52 N -1.04 -0.07 0.51 -0.77 0.00 -1.26 -4.99 105.19 97.56 1x5x n GLY 52 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.00 1.61 4.01 -1.26 -5.11 117.16 112.41 1x5x n TYR 53 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1x5x n TYR 53 Cb 0.00 -0.56 -0.02 0.00 -0.31 0.00 0.00 39.34 38.45 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 2.02 2.04 3.95 2.72 0.00 -1.26 -5.17 105.19 109.48 1x5x n GLY 54 Ca -0.30 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.99 3.30 0.03 1.61 0.40 -1.26 -4.83 117.98 114.23 1x5x s PHE 55 Ca 0.26 0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 1x5x s PHE 55 Cb -0.01 -2.22 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 1x5x s PHE 55 CO 0.19 -0.25 -0.11 0.15 0.70 0.00 0.00 175.22 175.90 1x5x s LYS 56 N -4.51 0.71 0.35 0.44 -0.14 -1.10 -4.95 119.74 110.54 1x5x s LYS 56 Ca 0.46 -0.67 -0.26 0.00 -1.36 0.00 0.00 55.97 54.14 1x5x s LYS 56 Cb -0.10 -0.64 -0.09 0.00 -1.68 0.00 0.00 37.83 35.32 1x5x s LYS 56 CO 0.38 0.15 1.07 -1.25 -0.76 0.00 0.00 175.35 174.93 1x5x s PRO 57 N -1.14 4.38 0.00 -1.68 0.04 -1.26 -1.93 135.00 133.40 1x5x s PRO 57 Ca -0.02 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1x5x s PRO 57 Cb -0.08 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1x5x s PRO 57 CO 0.01 0.02 0.00 1.63 0.04 0.00 0.00 177.00 178.70 1x5x n LYS 58 N 0.49 0.00 -4.37 4.56 5.02 -0.39 -4.96 118.16 118.50 1x5x n LYS 58 Ca 0.02 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.08 1x5x n LYS 58 Cb 0.48 -0.69 -0.09 0.00 -0.02 0.00 0.00 35.03 34.71 1x5x n LYS 58 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1x5x s TYR 59 N -1.99 2.50 -0.43 2.13 5.04 -1.19 -4.99 117.35 118.41 1x5x s TYR 59 Ca 0.00 -0.27 0.08 0.00 -2.44 0.00 0.00 57.07 54.43 1x5x s TYR 59 Cb 0.00 -1.11 0.18 0.00 0.35 0.00 0.00 41.96 41.38 1x5x s TYR 59 CO 0.00 0.65 0.64 0.16 -1.34 0.00 0.00 175.55 175.66 1x5x s ASP 60 N -3.51 -1.37 0.28 4.32 1.47 -1.26 -3.41 116.67 113.18 1x5x s ASP 60 Ca 0.30 -1.06 -0.03 0.00 1.18 0.00 0.00 52.55 52.94 1x5x s ASP 60 Cb -0.06 1.87 0.01 0.00 -0.34 0.00 0.00 42.92 44.40 1x5x s ASP 60 CO 0.17 -0.15 0.43 0.61 0.68 0.00 0.00 175.17 176.92 1x5x n GLY 61 N 4.06 2.09 2.37 2.12 0.00 -1.26 -5.06 105.19 109.51 1x5x n GLY 61 Ca 0.13 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1x5x n GLY 61 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x5x n GLU 62 N -0.45 3.21 -4.37 1.61 0.28 -1.26 -2.64 120.64 117.01 1x5x n GLU 62 Ca -0.01 -3.95 -0.29 0.00 -0.16 0.00 0.00 57.16 52.75 1x5x n GLU 62 Cb 0.46 -2.27 -0.12 0.00 1.43 0.00 0.00 31.44 30.94 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 -2.73 3.66 -0.33 -1.84 1.01 -1.26 -4.85 116.67 110.31 1x5x s ASP 63 Ca 0.53 -0.62 0.02 0.00 0.71 0.00 0.00 52.55 53.20 1x5x s ASP 63 Cb 0.44 -0.42 0.46 0.00 1.01 0.00 0.00 42.92 44.40 1x5x s ASP 63 CO -0.12 0.19 1.69 0.18 0.21 0.00 0.00 175.17 177.32 1x5x n LEU 64 N 0.91 5.79 -3.64 1.23 4.77 -1.26 -4.73 117.00 120.07 1x5x n LEU 64 Ca -0.17 -3.07 -0.06 0.00 -0.03 0.00 0.00 56.01 52.68 1x5x n LEU 64 Cb 0.53 -0.77 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 1x5x n LEU 64 CO 0.26 0.93 0.95 0.00 -1.33 0.00 0.00 177.39 178.20 1x5x s ALA 65 N -2.38 -2.09 0.08 -1.18 0.00 -1.26 -3.29 121.76 111.64 1x5x s ALA 65 Ca 0.41 1.77 -0.10 0.00 0.00 0.00 0.00 51.96 54.04 1x5x s ALA 65 Cb 0.34 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1x5x s ALA 65 CO 0.07 -0.18 0.22 -0.47 0.00 0.00 0.00 175.76 175.40 1x5x s TYR 66 N -0.00 0.08 -0.43 0.00 5.04 -1.23 -5.07 117.35 115.75 1x5x s TYR 66 Ca 0.05 -0.45 0.02 0.00 -2.44 0.00 0.00 57.07 54.25 1x5x s TYR 66 Cb -0.05 -0.01 0.12 0.00 0.35 0.00 0.00 41.96 42.37 1x5x s TYR 66 CO -0.10 -0.54 0.18 0.99 -1.34 0.00 0.00 175.55 174.75 1x5x s THR 67 N -3.57 2.76 0.55 4.34 2.01 -1.26 -3.01 115.64 117.47 1x5x s THR 67 Ca 0.03 -2.59 -0.21 0.00 0.31 0.00 0.00 61.69 59.22 1x5x s THR 67 Cb 0.03 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 1x5x s THR 67 CO -0.09 -0.70 1.33 -0.69 -0.69 0.00 0.00 174.62 173.77 1x5x s VAL 68 N 0.55 2.19 0.33 3.82 1.01 -0.80 -4.84 120.40 122.65 1x5x s VAL 68 Ca 0.13 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1x5x s VAL 68 Cb -0.22 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1x5x s VAL 68 CO -0.05 -0.01 0.19 -0.54 0.00 0.00 0.00 175.10 174.69 1x5x s LYS 69 N -2.95 1.71 -0.69 2.72 1.02 -1.26 -2.48 119.74 117.80 1x5x s LYS 69 Ca 0.72 -2.00 -0.04 0.00 0.02 0.00 0.00 55.97 54.68 1x5x s LYS 69 Cb -0.39 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 1x5x s LYS 69 CO 0.45 -0.51 0.67 0.09 -0.92 0.00 0.00 175.35 175.13 1x5x n ASN 70 N -1.18 -7.41 -2.03 2.83 4.13 -1.19 -4.91 115.26 105.50 1x5x n ASN 70 Ca 0.01 -0.09 -0.05 0.00 1.68 0.00 0.00 54.58 56.13 1x5x n ASN 70 Cb 0.64 -4.79 -0.01 0.00 -1.54 0.00 0.00 39.78 34.08 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 -1.60 0.00 -4.32 3.41 4.77 -1.24 -5.02 117.00 113.01 1x5x n LEU 71 Ca -0.02 -0.65 -0.26 0.00 -0.03 0.00 0.00 56.01 55.04 1x5x n LEU 71 Cb 0.52 0.20 -0.13 0.00 -2.33 0.00 0.00 43.42 41.68 1x5x n LEU 71 CO 0.54 -0.10 -0.54 -0.13 -1.33 0.00 0.00 177.39 175.83 1x5x s ARG 72 N -2.33 1.29 0.47 3.23 0.52 -1.26 -4.78 118.95 116.10 1x5x s ARG 72 Ca 0.04 -1.18 -0.22 0.00 -0.52 0.00 0.00 55.73 53.84 1x5x s ARG 72 Cb 0.00 -1.60 -0.07 0.00 0.52 0.00 0.00 34.95 33.80 1x5x s ARG 72 CO 0.03 0.38 1.14 -0.98 0.02 0.00 0.00 175.30 175.89 1x5x s ARG 73 N -1.80 3.71 -0.55 3.54 1.70 -1.24 -4.03 118.95 120.28 1x5x s ARG 73 Ca 0.09 1.70 -0.28 0.00 -0.47 0.00 0.00 55.73 56.77 1x5x s ARG 73 Cb -0.10 -2.32 0.04 0.00 -0.57 0.00 0.00 34.95 32.01 1x5x s ARG 73 CO 0.04 -0.57 0.64 0.45 -1.08 0.00 0.00 175.30 174.78 1x5x n SER 74 N -0.65 -5.20 -3.95 -2.89 2.88 0.90 -4.95 113.62 99.77 1x5x n SER 74 Ca 0.08 -0.40 -0.09 0.00 -1.33 0.00 0.00 58.87 57.12 1x5x n SER 74 Cb 0.49 -1.57 -0.06 0.00 -0.75 0.00 0.00 64.21 62.32 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 -1.88 0.03 -0.09 2.46 2.01 -1.26 -4.94 115.64 111.98 1x5x s THR 75 Ca 0.27 -1.32 0.03 0.00 0.31 0.00 0.00 61.69 60.98 1x5x s THR 75 Cb -0.03 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.52 1x5x s THR 75 CO 0.88 -0.14 -0.18 -1.59 -0.69 0.00 0.00 174.62 172.89 1x5x s LYS 76 N -3.98 2.42 0.02 4.92 -2.85 -1.26 -1.61 119.74 117.40 1x5x s LYS 76 Ca 0.19 -0.66 0.03 0.00 -1.00 0.00 0.00 55.97 54.53 1x5x s LYS 76 Cb 0.01 -1.89 -0.02 0.00 -2.06 0.00 0.00 37.83 33.88 1x5x s LYS 76 CO 0.04 0.10 -0.10 0.71 0.10 0.00 0.00 175.35 176.19 1x5x s TYR 77 N 0.51 0.90 -0.14 1.78 2.02 -1.11 -5.00 117.35 116.31 1x5x s TYR 77 Ca -0.16 -0.30 -0.13 0.00 -0.37 0.00 0.00 57.07 56.11 1x5x s TYR 77 Cb -0.17 -0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 40.80 1x5x s TYR 77 CO 0.06 -0.01 0.27 0.15 -1.57 0.00 0.00 175.55 174.45 1x5x s LYS 78 N -0.88 4.11 0.04 -0.62 1.02 -1.25 -2.95 119.74 119.21 1x5x s LYS 78 Ca -0.00 0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.09 1x5x s LYS 78 Cb -0.06 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 1x5x s LYS 78 CO 0.00 0.36 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.61 1x5x s PHE 79 N 0.10 1.08 -0.03 3.18 0.08 -0.55 -2.11 117.98 119.73 1x5x s PHE 79 Ca 0.16 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.84 1x5x s PHE 79 Cb -0.13 -0.64 0.02 0.00 -0.57 0.00 0.00 43.02 41.69 1x5x s PHE 79 CO 0.04 0.02 0.07 -1.59 -0.10 0.00 0.00 175.22 173.66 1x5x s LYS 80 N -1.13 0.05 -0.12 0.44 -2.85 -0.87 -0.89 119.74 114.36 1x5x s LYS 80 Ca -0.00 0.17 -0.22 0.00 -1.00 0.00 0.00 55.97 54.92 1x5x s LYS 80 Cb -0.08 -0.08 -0.03 0.00 -2.06 0.00 0.00 37.83 35.58 1x5x s LYS 80 CO 0.01 -0.08 0.64 0.54 0.10 0.00 0.00 175.35 176.56 1x5x s VAL 81 N 0.52 5.06 -0.22 1.79 0.11 -1.26 -1.03 120.40 125.37 1x5x s VAL 81 Ca -0.04 1.28 0.01 0.00 -2.93 0.00 0.00 61.98 60.30 1x5x s VAL 81 Cb -0.06 -3.97 0.03 0.00 -1.53 0.00 0.00 36.38 30.85 1x5x s VAL 81 CO -0.02 0.21 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.18 1x5x s ILE 82 N 1.19 2.25 -0.14 7.04 1.01 -0.26 -1.84 121.20 130.46 1x5x s ILE 82 Ca 0.33 -1.18 -0.18 0.00 0.00 0.00 0.00 60.65 59.62 1x5x s ILE 82 Cb -0.17 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1x5x s ILE 82 CO 0.14 0.29 0.48 0.00 0.00 0.00 0.00 174.94 175.85 1x5x s ALA 83 N 1.24 3.49 0.09 9.38 0.00 -1.26 0.18 121.76 134.88 1x5x s ALA 83 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1x5x s ALA 83 Cb -0.16 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1x5x s ALA 83 CO -0.09 -0.09 -0.03 1.52 0.00 0.00 0.00 175.76 177.07 1x5x s TYR 84 N 0.84 0.79 0.13 0.00 -0.85 -0.44 -2.29 117.35 115.53 1x5x s TYR 84 Ca 0.25 -1.03 0.09 0.00 -0.52 0.00 0.00 57.07 55.87 1x5x s TYR 84 Cb -0.15 -0.49 -0.04 0.00 0.38 0.00 0.00 41.96 41.66 1x5x s TYR 84 CO 0.10 -0.29 -0.21 1.21 -1.52 0.00 0.00 175.55 174.84 1x5x s ASN 85 N -3.01 2.77 0.60 -0.18 2.47 0.54 -3.28 114.94 114.86 1x5x s ASN 85 Ca 0.13 -0.77 0.27 0.00 0.42 0.00 0.00 52.86 52.92 1x5x s ASN 85 Cb 0.07 -0.17 1.19 0.00 -1.45 0.00 0.00 41.25 40.89 1x5x s ASN 85 CO -0.05 0.05 1.59 -1.28 -3.72 0.00 0.00 177.10 173.70 1x5x h SER 86 N 3.71 0.00 0.05 -4.21 0.87 -1.98 0.73 113.55 112.72 1x5x h SER 86 Ca -0.46 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.02 1x5x h SER 86 Cb 1.19 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1x5x h SER 86 CO 0.44 0.00 -0.36 -0.33 -0.53 0.00 0.00 176.83 176.05 1x5x h GLU 87 N 0.00 0.16 -2.14 2.24 5.08 -1.95 -3.49 114.58 114.48 1x5x h GLU 87 Ca 0.33 -0.24 0.23 0.00 -1.00 0.00 0.00 59.36 58.69 1x5x h GLU 87 Cb 2.01 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 31.27 1x5x h GLU 87 CO -0.00 1.06 0.65 0.20 -1.00 0.00 0.00 179.01 179.92 1x5x s GLY 88 N -4.20 -0.16 0.27 -3.84 0.00 0.26 -4.97 107.32 94.67 1x5x s GLY 88 Ca -0.16 0.12 0.07 0.00 0.00 0.00 0.00 44.72 44.75 1x5x s GLY 88 CO 0.76 1.41 0.22 -1.59 0.00 0.00 0.00 173.10 173.90 1x5x s LYS 89 N -2.57 2.88 0.00 2.90 -2.85 -1.26 0.20 119.74 119.04 1x5x s LYS 89 Ca 0.18 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 54.04 1x5x s LYS 89 Cb 0.00 -2.54 0.00 0.00 -2.06 0.00 0.00 37.83 33.23 1x5x s LYS 89 CO 0.01 0.33 0.00 0.43 0.10 0.00 0.00 175.35 176.23 1x5x n SER 90 N -1.22 1.29 -4.81 0.03 7.64 -0.97 -4.80 113.62 110.77 1x5x n SER 90 Ca -0.07 -0.67 -0.33 0.00 1.01 0.00 0.00 58.87 58.82 1x5x n SER 90 Cb 0.58 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.57 6.10 0.78 6.43 0.01 -1.26 -4.83 114.94 121.60 1x5x s ASN 91 Ca 0.00 1.75 -0.11 0.00 -0.71 0.00 0.00 52.86 53.78 1x5x s ASN 91 Cb 0.00 -2.53 0.06 0.00 0.41 0.00 0.00 41.25 39.19 1x5x s ASN 91 CO 0.00 -0.94 1.09 -2.16 -1.51 0.00 0.00 177.10 173.58 1x5x s PRO 92 N -4.00 2.24 0.41 -0.60 0.04 -1.26 -4.51 135.00 127.32 1x5x s PRO 92 Ca 0.62 0.69 0.07 0.00 0.04 0.00 0.00 61.00 62.42 1x5x s PRO 92 Cb -0.14 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1x5x s PRO 92 CO 0.33 -1.53 0.57 0.45 0.04 0.00 0.00 177.00 176.87 1x5x s SER 93 N -3.89 5.72 0.07 6.66 0.15 -0.76 -4.96 113.70 116.69 1x5x s SER 93 Ca 0.60 -0.28 -0.37 0.00 0.70 0.00 0.00 55.95 56.60 1x5x s SER 93 Cb -0.14 -0.88 -0.17 0.00 -1.71 0.00 0.00 66.02 63.11 1x5x s SER 93 CO 0.54 -0.71 1.25 -0.62 1.20 0.00 0.00 173.24 174.90 1x5x n GLU 94 N -1.85 0.85 -2.63 5.44 -0.58 -1.26 -4.56 120.64 116.04 1x5x n GLU 94 Ca 0.05 0.31 -0.43 0.00 -0.42 0.00 0.00 57.16 56.67 1x5x n GLU 94 Cb 0.59 -1.89 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 1x5x n GLU 94 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1x5x s VAL 95 N 0.28 4.64 0.39 2.62 1.01 -1.26 -4.63 120.40 123.45 1x5x s VAL 95 Ca 0.85 1.94 0.08 0.00 0.00 0.00 0.00 61.98 64.84 1x5x s VAL 95 Cb -1.02 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.09 1x5x s VAL 95 CO 0.50 -0.06 0.40 0.68 0.00 0.00 0.00 175.10 176.63 1x5x s VAL 96 N 2.47 3.00 0.09 2.92 -7.23 -0.07 -4.93 120.40 116.66 1x5x s VAL 96 Ca 0.49 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 59.44 1x5x s VAL 96 Cb -0.19 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.65 1x5x s VAL 96 CO 0.15 -0.05 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.08 1x5x s GLU 97 N -4.15 0.85 0.25 4.82 2.12 -1.26 -1.49 118.70 119.84 1x5x s GLU 97 Ca 0.48 -1.12 -0.14 0.00 0.36 0.00 0.00 54.97 54.55 1x5x s GLU 97 Cb -0.05 -0.62 -0.00 0.00 0.26 0.00 0.00 34.13 33.71 1x5x s GLU 97 CO 0.29 0.11 0.50 -0.06 -0.54 0.00 0.00 175.26 175.56 1x5x s PHE 98 N -2.16 0.28 0.04 5.30 0.08 -1.15 -5.02 117.98 115.35 1x5x s PHE 98 Ca 0.04 -0.65 0.04 0.00 0.12 0.00 0.00 56.93 56.47 1x5x s PHE 98 Cb -0.05 0.25 -0.02 0.00 -0.57 0.00 0.00 43.02 42.64 1x5x s PHE 98 CO 0.01 -1.02 -0.11 0.99 -0.10 0.00 0.00 175.22 174.99 1x5x s THR 99 N -4.00 0.89 0.64 0.64 2.01 -1.26 -2.77 115.64 111.79 1x5x s THR 99 Ca 0.21 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1x5x s THR 99 Cb -0.01 -0.83 0.13 0.00 0.01 0.00 0.00 72.50 71.79 1x5x s THR 99 CO 0.08 -0.08 0.87 0.35 -0.69 0.00 0.00 174.62 175.15 1x5x n THR 100 N 1.91 0.00 -2.84 -0.82 -2.24 -0.63 -4.85 114.28 104.81 1x5x n THR 100 Ca -0.19 -1.32 -0.19 0.00 -2.27 0.00 0.00 64.05 60.09 1x5x n THR 100 Cb 0.55 -1.00 0.02 0.00 -2.10 0.00 0.00 70.33 67.81 1x5x n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5x s PRO 102 N -4.55 0.48 -0.08 0.00 0.04 -1.26 -0.07 135.00 129.56 1x5x s PRO 102 Ca 0.56 0.04 -0.22 0.00 0.04 0.00 0.00 61.00 61.41 1x5x s PRO 102 Cb -0.10 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.70 1x5x s PRO 102 CO 0.36 -2.59 0.52 0.34 0.04 0.00 0.00 177.00 175.67 1x5x s ASP 103 N -4.21 -0.48 0.32 6.66 2.15 -1.26 -4.78 116.67 115.06 1x5x s ASP 103 Ca 0.68 0.62 0.00 0.00 0.43 0.00 0.00 52.55 54.28 1x5x s ASP 103 Cb -0.11 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.14 1x5x s ASP 103 CO 0.54 -0.44 0.00 -1.54 -0.17 0.00 0.00 175.17 173.56 1x5x n SER 104 N 1.55 -2.11 -3.95 -0.34 3.41 -1.26 -5.06 113.62 105.87 1x5x n SER 104 Ca -0.18 0.59 -0.30 0.00 -0.26 0.00 0.00 58.87 58.71 1x5x n SER 104 Cb 0.56 2.10 -0.15 0.00 -0.26 0.00 0.00 64.21 66.47 1x5x n SER 104 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5x s GLY 105 N -3.16 2.00 -0.75 5.00 0.00 -1.26 -5.06 107.32 104.09 1x5x s GLY 105 Ca 0.00 -2.69 -0.26 0.00 0.00 0.00 0.00 44.72 41.77 1x5x s GLY 105 CO 0.00 1.07 1.60 2.56 0.00 0.00 0.00 173.10 178.33 1x5x s PRO 106 N 0.55 2.96 0.00 2.90 0.04 -1.26 -4.95 135.00 135.25 1x5x s PRO 106 Ca 0.13 -0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.13 1x5x s PRO 106 Cb -0.21 -4.53 -0.01 0.00 0.04 0.00 0.00 34.50 29.79 1x5x s PRO 106 CO -0.06 -2.53 -0.05 -1.54 0.04 0.00 0.00 177.00 172.85 1x5x s SER 107 N 6.04 0.61 -0.33 6.66 1.04 -1.26 -5.13 113.70 121.33 1x5x s SER 107 Ca 0.53 -0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.68 1x5x s SER 107 Cb -0.08 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 1x5x s SER 107 CO 0.12 0.02 0.22 -0.44 0.98 0.00 0.00 173.24 174.14 1x5x s SER 108 N -0.32 5.96 0.00 7.02 0.01 -1.26 -5.24 113.70 119.86 1x5x s SER 108 Ca 0.00 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1x5x s SER 108 Cb -0.03 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1x5x s SER 108 CO -0.00 -0.22 0.26 0.61 0.41 0.00 0.00 173.24 174.29